NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10130 | 1p9j | 5801 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1HT VAL 1 8.434 19.915 6.175 2 2H VAL 1 2HT VAL 1 7.239 18.728 5.944 3 3H VAL 1 3HT VAL 1 7.382 19.451 7.416 4 HA VAL 1 HA VAL 1 6.836 21.609 6.366 5 HB VAL 1 HB VAL 1 5.719 21.635 4.233 6 1HG1 VAL 1 1HG1 VAL 1 8.471 20.249 3.996 7 2HG1 VAL 1 2HG1 VAL 1 8.209 21.999 4.356 8 3HG1 VAL 1 3HG1 VAL 1 7.663 21.301 2.793 9 1HG2 VAL 1 1HG2 VAL 1 5.683 19.725 2.714 10 2HG2 VAL 1 2HG2 VAL 1 4.802 19.257 4.204 11 3HG2 VAL 1 3HG2 VAL 1 6.478 18.657 3.910 12 H VAL 2 H VAL 2 4.683 22.444 6.658 13 HA VAL 2 HA VAL 2 2.937 20.428 7.812 14 HB VAL 2 HB VAL 2 3.420 22.156 9.268 15 1HG1 VAL 2 1HG1 VAL 2 3.861 24.061 7.737 16 2HG1 VAL 2 2HG1 VAL 2 2.608 24.465 8.955 17 3HG1 VAL 2 3HG1 VAL 2 2.116 24.110 7.265 18 1HG2 VAL 2 1HG2 VAL 2 0.499 22.234 8.269 19 2HG2 VAL 2 2HG2 VAL 2 1.094 22.658 9.910 20 3HG2 VAL 2 3HG2 VAL 2 1.225 20.963 9.326 21 H SER 3 H SER 3 1.768 19.393 6.402 22 HA SER 3 HA SER 3 0.193 20.993 4.503 23 1HB SER 3 2HB SER 3 1.973 19.462 3.440 24 2HB SER 3 1HB SER 3 1.052 18.081 4.095 25 HG SER 3 HG SER 3 0.385 18.509 2.035 26 H HIS 4 H HIS 4 -1.814 19.696 3.869 27 HA HIS 4 HA HIS 4 -3.016 18.568 6.310 28 1HB HIS 4 2HB HIS 4 -3.973 20.649 4.778 29 2HB HIS 4 1HB HIS 4 -4.786 19.290 3.981 30 HD1 HIS 4 1HD HIS 4 -4.222 20.778 7.426 31 HD2 HIS 4 2HD HIS 4 -7.220 18.778 5.311 32 HE1 HIS 4 1HE HIS 4 -6.223 20.641 8.963 33 HE2 HIS 4 2HE HIS 4 -8.040 19.556 7.636 34 H PHE 5 H PHE 5 -4.248 16.576 6.055 35 HA PHE 5 HA PHE 5 -2.857 14.890 4.153 36 1HB PHE 5 2HB PHE 5 -2.748 14.310 6.531 37 2HB PHE 5 1HB PHE 5 -4.530 14.389 6.660 38 HD1 PHE 5 1HD PHE 5 -5.862 12.602 6.072 39 HD2 PHE 5 2HD PHE 5 -1.696 12.403 5.226 40 HE1 PHE 5 1HE PHE 5 -6.056 10.196 5.668 41 HE2 PHE 5 2HE PHE 5 -1.894 10.015 4.828 42 HZ PHE 5 HZ PHE 5 -4.059 8.891 5.061 43 H ASN 6 H ASN 6 -3.787 13.807 2.523 44 HA ASN 6 HA ASN 6 -6.670 13.717 2.302 45 1HB ASN 6 2HB ASN 6 -4.764 14.719 0.085 46 2HB ASN 6 1HB ASN 6 -6.497 14.305 -0.180 47 1HD2 ASN 6 1HD2 ASN 6 -8.059 15.489 1.426 48 2HD2 ASN 6 2HD2 ASN 6 -7.709 17.171 1.713 49 H ASP 7 H ASP 7 -7.126 12.181 0.327 50 HA ASP 7 HA ASP 7 -5.529 9.851 0.923 51 1HB ASP 7 2HB ASP 7 -8.066 10.039 1.122 52 2HB ASP 7 1HB ASP 7 -8.128 10.114 -0.676 53 H CYS 8 H CYS 8 -5.434 8.260 -0.917 54 HA CYS 8 HA CYS 8 -3.682 9.285 -2.878 55 1HB CYS 8 2HB CYS 8 -3.453 7.125 -1.683 56 2HB CYS 8 1HB CYS 8 -4.915 6.514 -2.484 57 HA PRO 9 HA PRO 9 -6.687 9.823 -6.054 58 1HB PRO 9 2HB PRO 9 -4.514 8.567 -7.831 59 2HB PRO 9 1HB PRO 9 -5.574 9.980 -8.226 60 1HG PRO 9 2HG PRO 9 -3.029 10.416 -7.339 61 2HG PRO 9 1HG PRO 9 -4.384 11.378 -6.602 62 1HD PRO 9 2HD PRO 9 -2.982 8.911 -5.458 63 2HD PRO 9 1HD PRO 9 -3.544 10.439 -4.630 64 H LEU 10 H LEU 10 -7.724 8.802 -8.017 65 HA LEU 10 HA LEU 10 -9.162 6.676 -7.357 66 1HB LEU 10 2HB LEU 10 -8.331 7.699 -10.117 67 2HB LEU 10 1HB LEU 10 -9.672 6.538 -9.880 68 HG LEU 10 HG LEU 10 -9.641 9.297 -8.555 69 1HD1 LEU 10 1HD1 LEU 10 -10.916 8.454 -11.234 70 2HD1 LEU 10 2HD1 LEU 10 -9.517 9.577 -11.029 71 3HD1 LEU 10 3HD1 LEU 10 -11.141 10.034 -10.395 72 1HD2 LEU 10 1HD2 LEU 10 -11.192 7.590 -7.532 73 2HD2 LEU 10 2HD2 LEU 10 -11.920 7.294 -9.154 74 3HD2 LEU 10 3HD2 LEU 10 -12.093 8.906 -8.367 75 H SER 11 H SER 11 -6.172 6.467 -9.253 76 HA SER 11 HA SER 11 -6.394 3.562 -9.365 77 1HB SER 11 2HB SER 11 -4.181 5.459 -10.305 78 2HB SER 11 1HB SER 11 -4.157 3.670 -10.496 79 HG SER 11 HG SER 11 -4.888 4.809 -12.328 80 H HIS 12 H HIS 12 -6.448 3.473 -6.881 81 HA HIS 12 HA HIS 12 -4.091 4.418 -5.609 82 1HB HIS 12 2HB HIS 12 -5.083 4.190 -3.641 83 2HB HIS 12 1HB HIS 12 -6.545 4.218 -4.648 84 HD1 HIS 12 1HD HIS 12 -8.072 2.226 -4.265 85 HD2 HIS 12 2HD HIS 12 -4.253 1.563 -2.681 86 HE1 HIS 12 1HE HIS 12 -8.162 0.030 -2.999 87 HE2 HIS 12 2HE HIS 12 -5.914 -0.252 -1.943 88 H ASP 13 H ASP 13 -5.304 1.214 -6.560 89 HA ASP 13 HA ASP 13 -2.796 0.031 -5.676 90 1HB ASP 13 2HB ASP 13 -3.916 -2.013 -5.568 91 2HB ASP 13 1HB ASP 13 -5.069 -0.815 -4.911 92 H GLY 14 H GLY 14 -2.720 1.801 -7.851 93 1HA GLY 14 2HA GLY 14 -2.959 0.508 -10.329 94 2HA GLY 14 1HA GLY 14 -2.098 2.032 -9.945 95 H TYR 15 H TYR 15 0.066 1.727 -8.845 96 HA TYR 15 HA TYR 15 1.581 -0.211 -10.376 97 1HB TYR 15 2HB TYR 15 2.253 2.219 -10.211 98 2HB TYR 15 1HB TYR 15 2.488 1.995 -8.446 99 HD1 TYR 15 1HD TYR 15 3.469 0.244 -11.639 100 HD2 TYR 15 2HD TYR 15 4.679 1.769 -7.862 101 HE1 TYR 15 1HE TYR 15 5.754 -0.462 -12.096 102 HE2 TYR 15 2HE TYR 15 6.981 1.089 -8.325 103 HH TYR 15 HH TYR 15 7.858 -0.669 -11.277 104 H CYS 16 H CYS 16 0.377 0.361 -7.164 105 HA CYS 16 HA CYS 16 2.149 -1.527 -5.930 106 1HB CYS 16 2HB CYS 16 -0.244 -0.008 -4.779 107 2HB CYS 16 1HB CYS 16 1.031 -0.875 -3.849 108 H LEU 17 H LEU 17 1.792 -3.643 -5.845 109 HA LEU 17 HA LEU 17 -0.627 -4.601 -7.009 110 1HB LEU 17 2HB LEU 17 2.121 -5.624 -6.431 111 2HB LEU 17 1HB LEU 17 0.853 -6.862 -6.483 112 HG LEU 17 HG LEU 17 2.059 -6.550 -8.618 113 1HD1 LEU 17 1HD1 LEU 17 -0.148 -7.655 -8.504 114 2HD1 LEU 17 2HD1 LEU 17 0.070 -6.770 -10.049 115 3HD1 LEU 17 3HD1 LEU 17 -0.982 -6.071 -8.768 116 1HD2 LEU 17 1HD2 LEU 17 0.486 -3.911 -8.920 117 2HD2 LEU 17 2HD2 LEU 17 1.589 -4.685 -10.121 118 3HD2 LEU 17 3HD2 LEU 17 2.247 -4.034 -8.568 119 H HIS 18 H HIS 18 -1.757 -6.445 -6.360 120 HA HIS 18 HA HIS 18 -2.968 -7.647 -5.127 121 1HB HIS 18 2HB HIS 18 -0.483 -8.233 -4.297 122 2HB HIS 18 1HB HIS 18 -1.141 -7.728 -2.727 123 HD1 HIS 18 1HD HIS 18 -0.592 -10.633 -4.523 124 HD2 HIS 18 2HD HIS 18 -4.122 -9.155 -2.832 125 HE1 HIS 18 1HE HIS 18 -2.202 -12.584 -4.371 126 HE2 HIS 18 2HE HIS 18 -4.333 -11.648 -3.398 127 H ASP 19 H ASP 19 -3.570 -4.952 -5.018 128 HA ASP 19 HA ASP 19 -4.771 -3.458 -4.015 129 1HB ASP 19 2HB ASP 19 -5.551 -5.685 -2.083 130 2HB ASP 19 1HB ASP 19 -6.148 -4.006 -1.926 131 H GLY 20 H GLY 20 -2.441 -2.721 -3.841 132 1HA GLY 20 2HA GLY 20 -1.311 -2.698 -1.263 133 2HA GLY 20 1HA GLY 20 -0.822 -1.763 -2.710 134 H VAL 21 H VAL 21 -1.031 -1.108 0.285 135 HA VAL 21 HA VAL 21 -3.232 0.698 0.381 136 HB VAL 21 HB VAL 21 -1.121 0.155 2.473 137 1HG1 VAL 21 1HG1 VAL 21 -3.989 1.339 2.556 138 2HG1 VAL 21 2HG1 VAL 21 -2.464 2.257 2.847 139 3HG1 VAL 21 3HG1 VAL 21 -2.967 0.959 3.985 140 1HG2 VAL 21 1HG2 VAL 21 -2.893 -1.388 3.413 141 2HG2 VAL 21 2HG2 VAL 21 -2.195 -1.994 1.877 142 3HG2 VAL 21 3HG2 VAL 21 -3.826 -1.217 1.884 143 H CYS 22 H CYS 22 -2.711 2.247 -1.135 144 HA CYS 22 HA CYS 22 -0.321 3.778 -1.026 145 1HB CYS 22 2HB CYS 22 -1.622 3.419 -3.097 146 2HB CYS 22 1HB CYS 22 -3.034 4.215 -2.357 147 H MET 23 H MET 23 0.197 5.483 0.259 148 HA MET 23 HA MET 23 -1.990 7.142 1.231 149 1HB MET 23 2HB MET 23 0.295 6.202 3.026 150 2HB MET 23 1HB MET 23 -1.004 7.362 3.456 151 1HG MET 23 2HG MET 23 -2.701 5.546 3.075 152 2HG MET 23 1HG MET 23 -1.372 4.385 2.805 153 1HE MET 23 1HE MET 23 0.110 3.378 4.417 154 2HE MET 23 2HE MET 23 0.320 3.821 6.144 155 3HE MET 23 3HE MET 23 0.865 4.949 4.864 156 H TYR 24 H TYR 24 -1.427 9.214 1.800 157 HA TYR 24 HA TYR 24 1.001 10.282 0.601 158 1HB TYR 24 2HB TYR 24 -1.104 11.340 -0.059 159 2HB TYR 24 1HB TYR 24 -1.631 11.449 1.657 160 HD1 TYR 24 1HD TYR 24 1.186 12.631 -0.553 161 HD2 TYR 24 2HD TYR 24 -1.557 13.418 2.596 162 HE1 TYR 24 1HE TYR 24 1.906 14.954 -0.521 163 HE2 TYR 24 2HE TYR 24 -0.873 15.748 2.627 164 HH TYR 24 HH TYR 24 1.693 17.001 0.505 165 H ILE 25 H ILE 25 2.602 11.365 1.833 166 HA ILE 25 HA ILE 25 2.306 11.215 4.741 167 HB ILE 25 HB ILE 25 4.770 11.314 2.960 168 1HG1 ILE 25 2HG1 ILE 25 5.206 9.173 4.473 169 2HG1 ILE 25 1HG1 ILE 25 3.428 9.102 4.583 170 1HG2 ILE 25 1HG2 ILE 25 5.976 11.143 5.174 171 2HG2 ILE 25 2HG2 ILE 25 4.400 11.353 6.030 172 3HG2 ILE 25 3HG2 ILE 25 5.075 12.683 5.005 173 1HD1 ILE 25 1HD1 ILE 25 4.406 7.662 2.745 174 2HD1 ILE 25 2HD1 ILE 25 5.069 9.133 1.945 175 3HD1 ILE 25 3HD1 ILE 25 3.291 8.893 2.073 176 H GLU 26 H GLU 26 1.534 13.158 5.428 177 HA GLU 26 HA GLU 26 1.545 15.365 3.720 178 1HB GLU 26 2HB GLU 26 0.026 16.280 5.145 179 2HB GLU 26 1HB GLU 26 -0.236 14.546 5.417 180 1HG GLU 26 2HG GLU 26 1.262 16.527 7.239 181 2HG GLU 26 1HG GLU 26 -0.366 15.845 7.495 182 H ALA 27 H ALA 27 3.383 14.487 6.555 183 HA ALA 27 HA ALA 27 4.584 16.900 7.063 184 1HB ALA 27 1HB ALA 27 5.689 14.057 7.494 185 2HB ALA 27 2HB ALA 27 4.557 14.919 8.591 186 3HB ALA 27 3HB ALA 27 6.228 15.544 8.360 187 H LEU 28 H LEU 28 5.508 14.504 4.656 188 HA LEU 28 HA LEU 28 7.932 16.101 4.070 189 1HB LEU 28 2HB LEU 28 7.384 13.152 3.493 190 2HB LEU 28 1HB LEU 28 8.914 14.046 3.215 191 HG LEU 28 HG LEU 28 7.620 13.443 5.933 192 1HD1 LEU 28 1HD1 LEU 28 10.178 12.350 4.616 193 2HD1 LEU 28 2HD1 LEU 28 8.623 11.453 4.826 194 3HD1 LEU 28 3HD1 LEU 28 9.575 11.961 6.274 195 1HD2 LEU 28 1HD2 LEU 28 8.801 15.616 6.096 196 2HD2 LEU 28 2HD2 LEU 28 10.255 14.912 5.297 197 3HD2 LEU 28 3HD2 LEU 28 9.742 14.337 6.928 198 H ASP 29 H ASP 29 4.866 15.498 2.896 199 HA ASP 29 HA ASP 29 3.838 15.772 1.076 200 1HB ASP 29 2HB ASP 29 5.074 17.975 1.337 201 2HB ASP 29 1HB ASP 29 6.185 17.438 0.035 202 H LYS 30 H LYS 30 5.076 13.402 1.289 203 HA LYS 30 HA LYS 30 5.774 12.683 -1.474 204 1HB LYS 30 2HB LYS 30 6.639 11.277 1.113 205 2HB LYS 30 1HB LYS 30 7.113 10.818 -0.548 206 1HG LYS 30 2HG LYS 30 7.975 13.303 1.003 207 2HG LYS 30 1HG LYS 30 8.964 11.883 0.540 208 1HD LYS 30 2HD LYS 30 8.564 12.483 -1.905 209 2HD LYS 30 1HD LYS 30 7.663 13.929 -1.332 210 1HE LYS 30 2HE LYS 30 9.759 14.736 -0.127 211 2HE LYS 30 1HE LYS 30 10.673 13.371 -0.889 212 1HZ LYS 30 1HZ LYS 30 10.897 15.349 -2.212 213 2HZ LYS 30 2HZ LYS 30 9.211 15.559 -2.283 214 3HZ LYS 30 3HZ LYS 30 9.911 14.274 -3.073 215 H TYR 31 H TYR 31 5.458 10.280 -1.846 216 HA TYR 31 HA TYR 31 2.910 9.400 -0.668 217 1HB TYR 31 2HB TYR 31 3.916 9.426 -3.566 218 2HB TYR 31 1HB TYR 31 2.795 8.127 -3.039 219 HD1 TYR 31 1HD TYR 31 0.617 8.572 -2.322 220 HD2 TYR 31 2HD TYR 31 3.114 11.738 -3.614 221 HE1 TYR 31 1HE TYR 31 -1.369 10.033 -2.570 222 HE2 TYR 31 2HE TYR 31 1.157 13.202 -3.857 223 HH TYR 31 HH TYR 31 -1.015 13.448 -3.278 224 H ALA 32 H ALA 32 2.642 7.122 -0.458 225 HA ALA 32 HA ALA 32 4.814 5.496 -1.345 226 1HB ALA 32 1HB ALA 32 5.240 4.417 0.909 227 2HB ALA 32 2HB ALA 32 4.039 5.540 1.652 228 3HB ALA 32 3HB ALA 32 5.585 6.176 0.993 229 H CYS 33 H CYS 33 4.340 3.116 -0.805 230 HA CYS 33 HA CYS 33 1.500 2.640 -0.278 231 1HB CYS 33 2HB CYS 33 3.322 1.150 -2.233 232 2HB CYS 33 1HB CYS 33 1.822 0.433 -1.577 233 H ASN 34 H ASN 34 1.136 1.351 1.406 234 HA ASN 34 HA ASN 34 3.436 -0.001 2.603 235 1HB ASN 34 2HB ASN 34 1.923 1.711 3.886 236 2HB ASN 34 1HB ASN 34 0.684 0.412 3.901 237 1HD2 ASN 34 1HD2 ASN 34 0.803 -0.636 5.920 238 2HD2 ASN 34 2HD2 ASN 34 2.290 -1.102 6.698 239 H CYS 35 H CYS 35 3.374 -2.252 2.966 240 HA CYS 35 HA CYS 35 1.379 -3.596 1.288 241 1HB CYS 35 2HB CYS 35 4.086 -4.571 2.317 242 2HB CYS 35 1HB CYS 35 2.962 -5.492 1.269 243 H VAL 36 H VAL 36 0.431 -5.561 1.986 244 HA VAL 36 HA VAL 36 -0.128 -5.599 4.798 245 HB VAL 36 HB VAL 36 -1.134 -7.323 2.537 246 1HG1 VAL 36 1HG1 VAL 36 -2.203 -6.943 5.414 247 2HG1 VAL 36 2HG1 VAL 36 -1.637 -8.485 4.640 248 3HG1 VAL 36 3HG1 VAL 36 -3.120 -7.681 4.060 249 1HG2 VAL 36 1HG2 VAL 36 -3.144 -5.806 2.665 250 2HG2 VAL 36 2HG2 VAL 36 -1.690 -4.876 2.200 251 3HG2 VAL 36 3HG2 VAL 36 -2.309 -4.792 3.891 252 H VAL 37 H VAL 37 -0.115 -7.648 5.990 253 HA VAL 37 HA VAL 37 2.511 -8.717 5.900 254 HB VAL 37 HB VAL 37 1.502 -7.991 7.943 255 1HG1 VAL 37 1HG1 VAL 37 -0.893 -8.615 7.513 256 2HG1 VAL 37 2HG1 VAL 37 -0.277 -9.301 9.054 257 3HG1 VAL 37 3HG1 VAL 37 -0.454 -10.361 7.617 258 1HG2 VAL 37 1HG2 VAL 37 2.187 -9.889 9.327 259 2HG2 VAL 37 2HG2 VAL 37 3.317 -9.719 7.940 260 3HG2 VAL 37 3HG2 VAL 37 2.064 -11.027 7.940 261 H GLY 38 H GLY 38 3.220 -10.716 5.428 262 1HA GLY 38 2HA GLY 38 3.197 -12.804 4.726 263 2HA GLY 38 1HA GLY 38 1.403 -12.803 4.677 264 H TYR 39 H TYR 39 2.989 -10.215 3.065 265 HA TYR 39 HA TYR 39 2.664 -11.568 0.479 266 1HB TYR 39 2HB TYR 39 2.055 -8.642 1.199 267 2HB TYR 39 1HB TYR 39 2.142 -9.284 -0.488 268 HD1 TYR 39 1HD TYR 39 0.359 -9.570 2.740 269 HD2 TYR 39 2HD TYR 39 0.368 -10.542 -1.387 270 HE1 TYR 39 1HE TYR 39 -1.908 -10.409 2.954 271 HE2 TYR 39 2HE TYR 39 -1.956 -11.319 -1.203 272 HH TYR 39 HH TYR 39 -3.725 -11.079 1.858 273 H ILE 40 H ILE 40 4.254 -11.368 -0.976 274 HA ILE 40 HA ILE 40 6.744 -10.193 0.017 275 HB ILE 40 HB ILE 40 7.863 -12.312 -0.787 276 1HG1 ILE 40 2HG1 ILE 40 4.992 -13.406 -0.552 277 2HG1 ILE 40 1HG1 ILE 40 5.869 -13.125 -2.097 278 1HG2 ILE 40 1HG2 ILE 40 7.511 -13.400 1.375 279 2HG2 ILE 40 2HG2 ILE 40 5.982 -12.492 1.641 280 3HG2 ILE 40 3HG2 ILE 40 7.566 -11.621 1.601 281 1HD1 ILE 40 1HD1 ILE 40 6.731 -15.074 0.146 282 2HD1 ILE 40 2HD1 ILE 40 7.650 -14.753 -1.372 283 3HD1 ILE 40 3HD1 ILE 40 6.012 -15.502 -1.443 284 H GLY 41 H GLY 41 8.483 -10.237 -1.534 285 1HA GLY 41 2HA GLY 41 9.250 -9.918 -3.679 286 2HA GLY 41 1HA GLY 41 7.575 -9.568 -4.245 287 H GLU 42 H GLU 42 9.904 -7.784 -4.629 288 HA GLU 42 HA GLU 42 9.946 -5.839 -2.668 289 1HB GLU 42 2HB GLU 42 11.069 -4.435 -4.334 290 2HB GLU 42 1HB GLU 42 11.768 -6.056 -4.179 291 1HG GLU 42 2HG GLU 42 9.830 -5.278 -6.456 292 2HG GLU 42 1HG GLU 42 11.604 -5.090 -6.533 293 H ARG 43 H ARG 43 7.842 -6.300 -5.350 294 HA ARG 43 HA ARG 43 6.414 -3.779 -4.989 295 1HB ARG 43 2HB ARG 43 7.160 -4.348 -7.169 296 2HB ARG 43 1HB ARG 43 6.601 -6.040 -7.018 297 1HG ARG 43 2HG ARG 43 4.347 -5.478 -7.343 298 2HG ARG 43 1HG ARG 43 4.587 -3.740 -6.992 299 1HD ARG 43 2HD ARG 43 4.201 -4.319 -9.449 300 2HD ARG 43 1HD ARG 43 5.672 -3.308 -9.104 301 HE ARG 43 HE ARG 43 6.748 -5.845 -9.052 302 1HH1 ARG 43 1HH1 ARG 43 4.809 -4.136 -11.595 303 2HH1 ARG 43 2HH1 ARG 43 5.730 -4.993 -12.822 304 1HH2 ARG 43 1HH2 ARG 43 7.764 -6.806 -10.694 305 2HH2 ARG 43 2HH2 ARG 43 7.354 -6.429 -12.362 306 H CYS 44 H CYS 44 6.358 -6.666 -3.434 307 HA CYS 44 HA CYS 44 4.953 -7.808 -2.290 308 1HB CYS 44 2HB CYS 44 3.209 -5.329 -2.302 309 2HB CYS 44 1HB CYS 44 3.138 -6.664 -1.117 310 H GLN 45 H GLN 45 4.701 -8.347 -4.998 311 HA GLN 45 HA GLN 45 2.068 -8.464 -5.855 312 1HB GLN 45 2HB GLN 45 4.365 -10.346 -6.590 313 2HB GLN 45 1HB GLN 45 2.917 -9.980 -7.585 314 1HG GLN 45 2HG GLN 45 3.713 -7.700 -8.021 315 2HG GLN 45 1HG GLN 45 5.064 -7.884 -6.841 316 1HE2 GLN 45 1HE2 GLN 45 3.741 -9.448 -9.842 317 2HE2 GLN 45 2HE2 GLN 45 5.315 -9.845 -10.479 318 H TYR 46 H TYR 46 4.017 -10.991 -4.190 319 HA TYR 46 HA TYR 46 1.876 -12.877 -4.788 320 1HB TYR 46 2HB TYR 46 4.660 -13.506 -3.697 321 2HB TYR 46 1HB TYR 46 3.508 -14.626 -4.499 322 HD1 TYR 46 1HD TYR 46 2.863 -14.006 -6.933 323 HD2 TYR 46 2HD TYR 46 6.292 -12.506 -4.923 324 HE1 TYR 46 1HE TYR 46 3.903 -13.516 -9.085 325 HE2 TYR 46 2HE TYR 46 7.339 -11.998 -7.066 326 HH TYR 46 HH TYR 46 5.680 -12.728 -10.144 327 H ARG 47 H ARG 47 1.306 -14.515 -3.223 328 HA ARG 47 HA ARG 47 1.382 -13.597 -0.446 329 1HB ARG 47 2HB ARG 47 -0.119 -15.749 -2.005 330 2HB ARG 47 1HB ARG 47 -0.041 -15.815 -0.226 331 1HG ARG 47 2HG ARG 47 -1.082 -13.630 0.001 332 2HG ARG 47 1HG ARG 47 -1.225 -13.469 -1.790 333 1HD ARG 47 2HD ARG 47 -2.745 -15.403 -1.895 334 2HD ARG 47 1HD ARG 47 -2.480 -15.770 -0.140 335 HE ARG 47 HE ARG 47 -3.420 -13.148 -0.087 336 1HH1 ARG 47 1HH1 ARG 47 -4.707 -16.313 -1.286 337 2HH1 ARG 47 2HH1 ARG 47 -6.280 -15.920 -0.638 338 1HH2 ARG 47 1HH2 ARG 47 -5.662 -12.741 0.514 339 2HH2 ARG 47 2HH2 ARG 47 -6.802 -14.001 0.188 340 H ASP 48 H ASP 48 2.565 -14.602 1.118 341 HA ASP 48 HA ASP 48 4.172 -16.893 0.481 342 1HB ASP 48 2HB ASP 48 4.947 -15.107 2.039 343 2HB ASP 48 1HB ASP 48 3.583 -15.498 3.157 344 H LEU 49 H LEU 49 3.419 -18.926 0.486 345 HA LEU 49 HA LEU 49 0.657 -19.273 0.979 346 1HB LEU 49 2HB LEU 49 2.882 -20.776 -0.316 347 2HB LEU 49 1HB LEU 49 1.575 -21.791 0.333 348 HG LEU 49 HG LEU 49 -0.122 -20.534 -0.916 349 1HD1 LEU 49 1HD1 LEU 49 0.522 -19.063 -2.818 350 2HD1 LEU 49 2HD1 LEU 49 2.246 -19.102 -2.276 351 3HD1 LEU 49 3HD1 LEU 49 0.982 -18.317 -1.243 352 1HD2 LEU 49 1HD2 LEU 49 2.175 -21.683 -2.620 353 2HD2 LEU 49 2HD2 LEU 49 0.452 -21.517 -3.132 354 3HD2 LEU 49 3HD2 LEU 49 0.889 -22.635 -1.787 355 H LYS 50 H LYS 50 3.485 -20.263 2.812 356 HA LYS 50 HA LYS 50 2.516 -22.614 3.737 357 1HB LYS 50 2HB LYS 50 4.561 -20.793 5.088 358 2HB LYS 50 1HB LYS 50 4.244 -22.491 5.520 359 1HG LYS 50 2HG LYS 50 5.968 -22.927 4.161 360 2HG LYS 50 1HG LYS 50 4.671 -22.971 2.939 361 1HD LYS 50 2HD LYS 50 6.431 -21.729 1.974 362 2HD LYS 50 1HD LYS 50 5.249 -20.474 2.458 363 1HE LYS 50 2HE LYS 50 6.660 -20.034 4.558 364 2HE LYS 50 1HE LYS 50 7.841 -21.269 3.961 365 1HZ LYS 50 1HZ LYS 50 7.065 -18.720 2.653 366 2HZ LYS 50 2HZ LYS 50 7.993 -19.905 1.898 367 3HZ LYS 50 3HZ LYS 50 8.573 -19.134 3.299 368 H TRP 51 H TRP 51 1.793 -19.475 5.168 369 HA TRP 51 HA TRP 51 0.956 -20.676 7.623 370 1HB TRP 51 2HB TRP 51 0.317 -18.456 8.303 371 2HB TRP 51 1HB TRP 51 1.953 -18.461 7.552 372 HD1 TRP 51 HD TRP 51 2.172 -17.019 5.189 373 HE1 TRP 51 1HE TRP 51 0.548 -15.291 4.142 374 HE3 TRP 51 3HE TRP 51 -2.008 -17.873 7.948 375 HZ2 TRP 51 2HZ TRP 51 -1.870 -14.081 4.748 376 HZ3 TRP 51 3HZ TRP 51 -3.981 -16.473 7.556 377 HH2 TRP 51 HH TRP 51 -3.913 -14.613 5.990 378 H TRP 52 H TRP 52 -0.620 -19.878 4.643 379 HA TRP 52 HA TRP 52 -3.293 -20.089 5.590 380 1HB TRP 52 2HB TRP 52 -2.117 -20.590 2.795 381 2HB TRP 52 1HB TRP 52 -3.868 -20.491 3.172 382 HD1 TRP 52 HD TRP 52 -0.763 -18.197 2.793 383 HE1 TRP 52 1HE TRP 52 -1.610 -15.803 2.525 384 HE3 TRP 52 3HE TRP 52 -5.668 -18.987 3.844 385 HZ2 TRP 52 2HZ TRP 52 -4.097 -14.447 2.600 386 HZ3 TRP 52 3HZ TRP 52 -7.217 -17.102 3.758 387 HH2 TRP 52 HH TRP 52 -6.454 -14.868 3.150 388 H GLU 53 H GLU 53 -1.085 -22.341 3.947 389 HA GLU 53 HA GLU 53 -2.895 -24.558 4.455 390 1HB GLU 53 2HB GLU 53 -0.356 -24.259 2.819 391 2HB GLU 53 1HB GLU 53 -1.177 -25.826 3.095 392 1HG GLU 53 2HG GLU 53 -3.299 -24.947 2.156 393 2HG GLU 53 1HG GLU 53 -2.527 -23.357 1.831 394 H LEU 54 H LEU 54 -2.392 -23.698 6.775 395 HA LEU 54 HA LEU 54 -0.863 -25.837 7.982 396 1HB LEU 54 2HB LEU 54 0.505 -23.724 8.232 397 2HB LEU 54 1HB LEU 54 -0.941 -22.901 8.885 398 HG LEU 54 HG LEU 54 -0.958 -24.507 10.820 399 1HD1 LEU 54 1HD1 LEU 54 1.087 -25.875 11.299 400 2HD1 LEU 54 2HD1 LEU 54 1.727 -25.489 9.657 401 3HD1 LEU 54 3HD1 LEU 54 0.222 -26.464 9.835 402 1HD2 LEU 54 1HD2 LEU 54 1.665 -22.950 10.419 403 2HD2 LEU 54 2HD2 LEU 54 0.996 -23.513 11.998 404 3HD2 LEU 54 3HD2 LEU 54 0.100 -22.282 11.034 Start of MODEL 2 1 1H VAL 1 1HT VAL 1 6.530 20.474 4.314 2 2H VAL 1 2HT VAL 1 5.531 19.151 4.186 3 3H VAL 1 3HT VAL 1 6.183 19.535 5.669 4 HA VAL 1 HA VAL 1 4.890 21.735 5.406 5 HB VAL 1 HB VAL 1 3.538 19.916 3.356 6 1HG1 VAL 1 1HG1 VAL 1 2.769 22.774 4.211 7 2HG1 VAL 1 2HG1 VAL 1 1.803 21.274 4.522 8 3HG1 VAL 1 3HG1 VAL 1 2.077 21.841 2.852 9 1HG2 VAL 1 1HG2 VAL 1 4.166 21.764 1.761 10 2HG2 VAL 1 2HG2 VAL 1 5.594 20.907 2.396 11 3HG2 VAL 1 3HG2 VAL 1 5.150 22.539 3.049 12 H VAL 2 H VAL 2 2.960 21.908 6.800 13 HA VAL 2 HA VAL 2 2.569 19.479 8.302 14 HB VAL 2 HB VAL 2 1.486 22.263 8.775 15 1HG1 VAL 2 1HG1 VAL 2 1.174 21.350 11.104 16 2HG1 VAL 2 2HG1 VAL 2 1.694 19.724 10.545 17 3HG1 VAL 2 3HG1 VAL 2 0.156 20.452 9.930 18 1HG2 VAL 2 1HG2 VAL 2 3.967 22.290 8.835 19 2HG2 VAL 2 2HG2 VAL 2 3.982 20.790 9.848 20 3HG2 VAL 2 3HG2 VAL 2 3.320 22.325 10.508 21 H SER 3 H SER 3 1.258 18.099 7.236 22 HA SER 3 HA SER 3 -1.377 19.077 6.384 23 1HB SER 3 2HB SER 3 0.230 16.875 5.006 24 2HB SER 3 1HB SER 3 -1.318 17.599 4.447 25 HG SER 3 HG SER 3 -0.158 19.549 4.123 26 H HIS 4 H HIS 4 -2.911 17.112 5.994 27 HA HIS 4 HA HIS 4 -2.805 15.444 8.367 28 1HB HIS 4 2HB HIS 4 -4.954 15.505 6.187 29 2HB HIS 4 1HB HIS 4 -5.064 14.747 7.801 30 HD1 HIS 4 1HD HIS 4 -5.060 18.087 6.094 31 HD2 HIS 4 2HD HIS 4 -5.874 16.484 9.875 32 HE1 HIS 4 1HE HIS 4 -6.231 19.904 7.429 33 HE2 HIS 4 2HE HIS 4 -6.666 18.923 9.699 34 H PHE 5 H PHE 5 -3.138 13.082 8.168 35 HA PHE 5 HA PHE 5 -2.184 12.010 5.615 36 1HB PHE 5 2HB PHE 5 -0.718 11.717 7.662 37 2HB PHE 5 1HB PHE 5 -2.062 10.831 8.447 38 HD1 PHE 5 1HD PHE 5 -0.482 10.732 5.009 39 HD2 PHE 5 2HD PHE 5 -1.467 8.643 8.577 40 HE1 PHE 5 1HE PHE 5 0.479 8.699 4.078 41 HE2 PHE 5 2HE PHE 5 -0.466 6.606 7.659 42 HZ PHE 5 HZ PHE 5 0.511 6.627 5.407 43 H ASN 6 H ASN 6 -3.712 11.079 4.402 44 HA ASN 6 HA ASN 6 -6.026 9.884 5.750 45 1HB ASN 6 2HB ASN 6 -6.058 11.460 3.123 46 2HB ASN 6 1HB ASN 6 -7.489 10.812 4.007 47 1HD2 ASN 6 1HD2 ASN 6 -8.189 11.932 5.984 48 2HD2 ASN 6 2HD2 ASN 6 -7.625 13.550 6.281 49 H ASP 7 H ASP 7 -7.350 8.698 3.832 50 HA ASP 7 HA ASP 7 -5.534 6.707 2.773 51 1HB ASP 7 2HB ASP 7 -7.632 6.154 4.110 52 2HB ASP 7 1HB ASP 7 -8.608 6.967 2.844 53 H CYS 8 H CYS 8 -5.289 6.398 0.540 54 HA CYS 8 HA CYS 8 -4.863 8.581 -0.887 55 1HB CYS 8 2HB CYS 8 -5.269 5.733 -1.827 56 2HB CYS 8 1HB CYS 8 -4.658 7.038 -2.886 57 HA PRO 9 HA PRO 9 -9.081 8.962 -2.381 58 1HB PRO 9 2HB PRO 9 -9.342 11.697 -2.492 59 2HB PRO 9 1HB PRO 9 -9.337 10.755 -0.959 60 1HG PRO 9 2HG PRO 9 -7.085 12.450 -2.092 61 2HG PRO 9 1HG PRO 9 -7.549 12.137 -0.379 62 1HD PRO 9 2HD PRO 9 -5.517 10.763 -1.950 63 2HD PRO 9 1HD PRO 9 -6.104 10.327 -0.296 64 H LEU 10 H LEU 10 -6.911 11.390 -3.846 65 HA LEU 10 HA LEU 10 -8.000 11.109 -6.427 66 1HB LEU 10 2HB LEU 10 -5.420 12.402 -5.418 67 2HB LEU 10 1HB LEU 10 -5.952 12.434 -7.123 68 HG LEU 10 HG LEU 10 -8.077 13.589 -6.415 69 1HD1 LEU 10 1HD1 LEU 10 -7.889 14.979 -4.281 70 2HD1 LEU 10 2HD1 LEU 10 -6.536 13.920 -3.757 71 3HD1 LEU 10 3HD1 LEU 10 -8.203 13.235 -3.985 72 1HD2 LEU 10 1HD2 LEU 10 -6.931 15.811 -6.262 73 2HD2 LEU 10 2HD2 LEU 10 -6.161 14.745 -7.497 74 3HD2 LEU 10 3HD2 LEU 10 -5.375 14.980 -5.889 75 H SER 11 H SER 11 -5.281 9.568 -4.790 76 HA SER 11 HA SER 11 -3.839 9.087 -7.059 77 1HB SER 11 2HB SER 11 -3.422 7.361 -4.611 78 2HB SER 11 1HB SER 11 -2.217 8.160 -5.670 79 HG SER 11 HG SER 11 -2.898 10.144 -4.715 80 H HIS 12 H HIS 12 -3.256 7.215 -8.207 81 HA HIS 12 HA HIS 12 -5.070 4.920 -7.865 82 1HB HIS 12 2HB HIS 12 -4.103 6.084 -10.525 83 2HB HIS 12 1HB HIS 12 -5.076 4.593 -10.316 84 HD1 HIS 12 1HD HIS 12 -5.377 8.347 -10.205 85 HD2 HIS 12 2HD HIS 12 -7.839 4.973 -9.762 86 HE1 HIS 12 1HE HIS 12 -7.732 9.162 -10.264 87 HE2 HIS 12 2HE HIS 12 -9.206 7.132 -10.039 88 H ASP 13 H ASP 13 -4.315 2.904 -8.708 89 HA ASP 13 HA ASP 13 -1.682 2.428 -7.821 90 1HB ASP 13 2HB ASP 13 -3.776 0.594 -9.147 91 2HB ASP 13 1HB ASP 13 -2.286 0.025 -8.298 92 H GLY 14 H GLY 14 -0.046 1.157 -8.939 93 1HA GLY 14 2HA GLY 14 -0.120 0.570 -11.621 94 2HA GLY 14 1HA GLY 14 0.612 2.212 -11.440 95 H TYR 15 H TYR 15 2.382 2.331 -9.716 96 HA TYR 15 HA TYR 15 4.353 0.542 -10.504 97 1HB TYR 15 2HB TYR 15 4.652 2.996 -9.775 98 2HB TYR 15 1HB TYR 15 4.525 2.426 -8.077 99 HD1 TYR 15 1HD TYR 15 6.420 1.397 -7.084 100 HD2 TYR 15 2HD TYR 15 6.303 1.892 -11.300 101 HE1 TYR 15 1HE TYR 15 8.684 0.494 -7.245 102 HE2 TYR 15 2HE TYR 15 8.572 0.998 -11.477 103 HH TYR 15 HH TYR 15 10.396 0.000 -8.588 104 H CYS 16 H CYS 16 2.564 0.857 -7.447 105 HA CYS 16 HA CYS 16 3.551 -1.785 -6.618 106 1HB CYS 16 2HB CYS 16 2.020 0.354 -5.044 107 2HB CYS 16 1HB CYS 16 2.586 -1.229 -4.390 108 H LEU 17 H LEU 17 2.211 -3.477 -7.018 109 HA LEU 17 HA LEU 17 -0.516 -2.814 -7.834 110 1HB LEU 17 2HB LEU 17 -0.245 -4.320 -9.754 111 2HB LEU 17 1HB LEU 17 0.704 -2.829 -9.821 112 HG LEU 17 HG LEU 17 1.771 -4.796 -10.787 113 1HD1 LEU 17 1HD1 LEU 17 3.110 -2.816 -10.029 114 2HD1 LEU 17 2HD1 LEU 17 4.032 -4.363 -10.092 115 3HD1 LEU 17 3HD1 LEU 17 3.512 -3.700 -8.512 116 1HD2 LEU 17 1HD2 LEU 17 2.203 -5.888 -7.950 117 2HD2 LEU 17 2HD2 LEU 17 2.878 -6.532 -9.490 118 3HD2 LEU 17 3HD2 LEU 17 1.096 -6.580 -9.212 119 H HIS 18 H HIS 18 -1.786 -4.823 -8.280 120 HA HIS 18 HA HIS 18 -2.734 -6.630 -7.653 121 1HB HIS 18 2HB HIS 18 -0.399 -7.576 -8.000 122 2HB HIS 18 1HB HIS 18 -0.235 -7.579 -6.218 123 HD1 HIS 18 1HD HIS 18 -0.370 -10.093 -5.764 124 HD2 HIS 18 2HD HIS 18 -3.461 -8.808 -8.305 125 HE1 HIS 18 1HE HIS 18 -1.891 -12.042 -6.106 126 HE2 HIS 18 2HE HIS 18 -3.781 -11.239 -7.562 127 H ASP 19 H ASP 19 -2.988 -4.380 -5.936 128 HA ASP 19 HA ASP 19 -4.118 -3.818 -4.214 129 1HB ASP 19 2HB ASP 19 -5.475 -5.871 -4.500 130 2HB ASP 19 1HB ASP 19 -4.395 -6.714 -3.329 131 H GLY 20 H GLY 20 -2.333 -2.662 -3.652 132 1HA GLY 20 2HA GLY 20 -0.724 -3.720 -1.426 133 2HA GLY 20 1HA GLY 20 -0.298 -2.399 -2.578 134 H VAL 21 H VAL 21 0.028 -1.850 0.122 135 HA VAL 21 HA VAL 21 -2.360 -0.413 0.873 136 HB VAL 21 HB VAL 21 0.237 -0.601 2.376 137 1HG1 VAL 21 1HG1 VAL 21 -2.635 0.318 3.095 138 2HG1 VAL 21 2HG1 VAL 21 -1.193 1.392 2.949 139 3HG1 VAL 21 3HG1 VAL 21 -1.266 0.157 4.248 140 1HG2 VAL 21 1HG2 VAL 21 -1.046 -2.270 3.763 141 2HG2 VAL 21 2HG2 VAL 21 -0.764 -2.876 2.101 142 3HG2 VAL 21 3HG2 VAL 21 -2.386 -2.236 2.560 143 H CYS 22 H CYS 22 -2.667 1.488 -0.067 144 HA CYS 22 HA CYS 22 -0.503 2.884 -1.308 145 1HB CYS 22 2HB CYS 22 -2.677 2.635 -2.395 146 2HB CYS 22 1HB CYS 22 -3.485 3.477 -1.054 147 H MET 23 H MET 23 0.720 4.440 -0.426 148 HA MET 23 HA MET 23 -0.576 6.185 1.546 149 1HB MET 23 2HB MET 23 2.334 5.253 1.515 150 2HB MET 23 1HB MET 23 1.655 6.509 2.607 151 1HG MET 23 2HG MET 23 0.092 4.828 3.573 152 2HG MET 23 1HG MET 23 0.740 3.570 2.485 153 1HE MET 23 1HE MET 23 0.855 2.108 4.445 154 2HE MET 23 2HE MET 23 0.363 3.402 5.590 155 3HE MET 23 3HE MET 23 1.799 2.383 5.947 156 H TYR 24 H TYR 24 -0.676 8.254 0.910 157 HA TYR 24 HA TYR 24 1.385 9.217 -0.932 158 1HB TYR 24 2HB TYR 24 -0.618 8.981 -2.364 159 2HB TYR 24 1HB TYR 24 -1.656 9.721 -1.072 160 HD1 TYR 24 1HD TYR 24 -2.165 11.863 -1.248 161 HD2 TYR 24 2HD TYR 24 1.446 10.505 -3.061 162 HE1 TYR 24 1HE TYR 24 -1.757 14.086 -2.063 163 HE2 TYR 24 2HE TYR 24 1.865 12.753 -3.903 164 HH TYR 24 HH TYR 24 -0.494 15.398 -3.335 165 H ILE 25 H ILE 25 2.362 11.077 -0.138 166 HA ILE 25 HA ILE 25 1.338 11.948 2.455 167 HB ILE 25 HB ILE 25 4.156 11.872 1.357 168 1HG1 ILE 25 2HG1 ILE 25 4.218 10.250 3.495 169 2HG1 ILE 25 1HG1 ILE 25 2.530 9.917 3.026 170 1HG2 ILE 25 1HG2 ILE 25 2.892 12.566 4.090 171 2HG2 ILE 25 2HG2 ILE 25 3.732 13.712 2.966 172 3HG2 ILE 25 3HG2 ILE 25 4.667 12.398 3.780 173 1HD1 ILE 25 1HD1 ILE 25 3.368 9.177 0.735 174 2HD1 ILE 25 2HD1 ILE 25 4.182 8.272 2.055 175 3HD1 ILE 25 3HD1 ILE 25 5.045 9.614 1.227 176 H GLU 26 H GLU 26 0.126 13.715 1.962 177 HA GLU 26 HA GLU 26 0.719 15.622 0.031 178 1HB GLU 26 2HB GLU 26 -1.005 15.692 2.556 179 2HB GLU 26 1HB GLU 26 -0.921 17.045 1.388 180 1HG GLU 26 2HG GLU 26 -1.691 15.559 -0.453 181 2HG GLU 26 1HG GLU 26 -1.841 14.189 0.705 182 H ALA 27 H ALA 27 1.734 15.321 3.385 183 HA ALA 27 HA ALA 27 2.788 17.797 3.827 184 1HB ALA 27 1HB ALA 27 4.222 16.603 5.514 185 2HB ALA 27 2HB ALA 27 3.821 15.037 4.735 186 3HB ALA 27 3HB ALA 27 2.529 16.000 5.532 187 H LEU 28 H LEU 28 4.131 15.256 1.816 188 HA LEU 28 HA LEU 28 6.644 16.790 1.594 189 1HB LEU 28 2HB LEU 28 6.203 13.779 1.362 190 2HB LEU 28 1HB LEU 28 7.771 14.639 1.230 191 HG LEU 28 HG LEU 28 6.025 14.473 3.745 192 1HD1 LEU 28 1HD1 LEU 28 8.687 13.091 3.028 193 2HD1 LEU 28 2HD1 LEU 28 7.073 12.292 3.117 194 3HD1 LEU 28 3HD1 LEU 28 7.822 12.985 4.604 195 1HD2 LEU 28 1HD2 LEU 28 8.019 15.421 4.925 196 2HD2 LEU 28 2HD2 LEU 28 7.315 16.594 3.762 197 3HD2 LEU 28 3HD2 LEU 28 8.830 15.699 3.340 198 H ASP 29 H ASP 29 3.974 15.597 -0.181 199 HA ASP 29 HA ASP 29 3.402 15.723 -2.222 200 1HB ASP 29 2HB ASP 29 4.978 17.756 -2.370 201 2HB ASP 29 1HB ASP 29 6.137 16.660 -3.183 202 H LYS 30 H LYS 30 4.799 13.440 -0.879 203 HA LYS 30 HA LYS 30 5.883 12.064 -3.240 204 1HB LYS 30 2HB LYS 30 6.627 11.619 -0.320 205 2HB LYS 30 1HB LYS 30 7.385 10.857 -1.748 206 1HG LYS 30 2HG LYS 30 7.516 13.801 -0.924 207 2HG LYS 30 1HG LYS 30 8.828 12.584 -0.854 208 1HD LYS 30 2HD LYS 30 8.838 12.456 -3.354 209 2HD LYS 30 1HD LYS 30 7.437 13.548 -3.432 210 1HE LYS 30 2HE LYS 30 9.426 14.807 -3.996 211 2HE LYS 30 1HE LYS 30 8.745 15.434 -2.447 212 1HZ LYS 30 1HZ LYS 30 10.516 14.436 -1.241 213 2HZ LYS 30 2HZ LYS 30 11.229 15.039 -2.652 214 3HZ LYS 30 3HZ LYS 30 10.880 13.389 -2.504 215 H TYR 31 H TYR 31 5.945 9.761 -3.182 216 HA TYR 31 HA TYR 31 3.399 8.636 -2.225 217 1HB TYR 31 2HB TYR 31 5.186 8.207 -4.677 218 2HB TYR 31 1HB TYR 31 4.188 6.843 -4.093 219 HD1 TYR 31 1HD TYR 31 3.920 10.406 -5.197 220 HD2 TYR 31 2HD TYR 31 2.019 6.668 -4.581 221 HE1 TYR 31 1HE TYR 31 1.941 11.232 -6.382 222 HE2 TYR 31 2HE TYR 31 0.037 7.468 -5.799 223 HH TYR 31 HH TYR 31 -0.256 10.812 -6.885 224 H ALA 32 H ALA 32 3.387 6.551 -1.240 225 HA ALA 32 HA ALA 32 5.843 5.112 -1.301 226 1HB ALA 32 1HB ALA 32 5.954 4.745 1.194 227 2HB ALA 32 2HB ALA 32 4.547 5.859 1.406 228 3HB ALA 32 3HB ALA 32 6.120 6.492 0.812 229 H CYS 33 H CYS 33 5.593 2.861 -0.439 230 HA CYS 33 HA CYS 33 2.776 2.006 -0.539 231 1HB CYS 33 2HB CYS 33 5.189 0.513 -1.696 232 2HB CYS 33 1HB CYS 33 3.479 -0.027 -1.727 233 H ASN 34 H ASN 34 2.190 0.512 1.037 234 HA ASN 34 HA ASN 34 4.437 -0.816 2.341 235 1HB ASN 34 2HB ASN 34 3.210 1.005 3.798 236 2HB ASN 34 1HB ASN 34 1.892 -0.210 3.923 237 1HD2 ASN 34 1HD2 ASN 34 2.141 -1.396 5.828 238 2HD2 ASN 34 2HD2 ASN 34 3.670 -1.761 6.587 239 H CYS 35 H CYS 35 3.684 -2.932 3.404 240 HA CYS 35 HA CYS 35 1.568 -4.134 1.758 241 1HB CYS 35 2HB CYS 35 4.198 -5.411 2.668 242 2HB CYS 35 1HB CYS 35 2.875 -6.260 1.803 243 H VAL 36 H VAL 36 0.400 -5.829 2.736 244 HA VAL 36 HA VAL 36 0.102 -5.626 5.560 245 HB VAL 36 HB VAL 36 -1.460 -7.705 4.919 246 1HG1 VAL 36 1HG1 VAL 36 -2.016 -4.763 4.153 247 2HG1 VAL 36 2HG1 VAL 36 -2.188 -5.464 5.810 248 3HG1 VAL 36 3HG1 VAL 36 -3.247 -6.034 4.469 249 1HG2 VAL 36 1HG2 VAL 36 -0.442 -7.745 2.538 250 2HG2 VAL 36 2HG2 VAL 36 -1.319 -6.187 2.243 251 3HG2 VAL 36 3HG2 VAL 36 -2.241 -7.660 2.657 252 H VAL 37 H VAL 37 0.019 -7.616 6.935 253 HA VAL 37 HA VAL 37 2.546 -8.878 6.740 254 HB VAL 37 HB VAL 37 0.247 -9.278 8.660 255 1HG1 VAL 37 1HG1 VAL 37 3.198 -10.222 8.763 256 2HG1 VAL 37 2HG1 VAL 37 1.742 -11.291 8.686 257 3HG1 VAL 37 3HG1 VAL 37 2.034 -10.276 10.135 258 1HG2 VAL 37 1HG2 VAL 37 1.199 -6.953 8.693 259 2HG2 VAL 37 2HG2 VAL 37 2.864 -7.632 8.797 260 3HG2 VAL 37 3HG2 VAL 37 1.701 -7.870 10.151 261 H GLY 38 H GLY 38 3.093 -10.736 5.825 262 1HA GLY 38 2HA GLY 38 2.843 -12.914 5.236 263 2HA GLY 38 1HA GLY 38 1.051 -12.752 5.274 264 H TYR 39 H TYR 39 2.807 -10.232 3.794 265 HA TYR 39 HA TYR 39 2.579 -11.398 1.110 266 1HB TYR 39 2HB TYR 39 1.841 -8.606 2.141 267 2HB TYR 39 1HB TYR 39 2.485 -8.786 0.475 268 HD1 TYR 39 1HD TYR 39 -0.172 -10.246 2.716 269 HD2 TYR 39 2HD TYR 39 1.092 -9.201 -1.206 270 HE1 TYR 39 1HE TYR 39 -2.403 -10.753 1.860 271 HE2 TYR 39 2HE TYR 39 -1.152 -9.590 -2.045 272 HH TYR 39 HH TYR 39 -3.255 -10.125 -1.531 273 H ILE 40 H ILE 40 4.311 -11.124 -0.186 274 HA ILE 40 HA ILE 40 6.623 -9.713 0.884 275 HB ILE 40 HB ILE 40 8.059 -11.629 0.069 276 1HG1 ILE 40 2HG1 ILE 40 5.368 -13.117 0.286 277 2HG1 ILE 40 1HG1 ILE 40 6.311 -12.828 -1.216 278 1HG2 ILE 40 1HG2 ILE 40 6.258 -12.089 2.514 279 2HG2 ILE 40 2HG2 ILE 40 7.640 -10.937 2.452 280 3HG2 ILE 40 3HG2 ILE 40 7.934 -12.699 2.255 281 1HD1 ILE 40 1HD1 ILE 40 6.731 -15.113 -0.438 282 2HD1 ILE 40 2HD1 ILE 40 7.171 -14.542 1.203 283 3HD1 ILE 40 3HD1 ILE 40 8.238 -14.156 -0.197 284 H GLY 41 H GLY 41 8.400 -9.690 -0.818 285 1HA GLY 41 2HA GLY 41 8.982 -9.229 -2.962 286 2HA GLY 41 1HA GLY 41 7.252 -9.028 -3.424 287 H GLU 42 H GLU 42 9.656 -7.234 -3.767 288 HA GLU 42 HA GLU 42 9.241 -4.952 -2.111 289 1HB GLU 42 2HB GLU 42 11.410 -5.297 -3.137 290 2HB GLU 42 1HB GLU 42 10.655 -5.582 -4.725 291 1HG GLU 42 2HG GLU 42 9.978 -3.169 -4.878 292 2HG GLU 42 1HG GLU 42 10.770 -2.864 -3.284 293 H ARG 43 H ARG 43 8.080 -6.162 -5.192 294 HA ARG 43 HA ARG 43 6.484 -3.833 -5.712 295 1HB ARG 43 2HB ARG 43 5.923 -4.902 -7.762 296 2HB ARG 43 1HB ARG 43 7.661 -5.104 -7.436 297 1HG ARG 43 2HG ARG 43 6.752 -7.454 -6.365 298 2HG ARG 43 1HG ARG 43 5.463 -7.158 -7.570 299 1HD ARG 43 2HD ARG 43 8.494 -7.493 -8.046 300 2HD ARG 43 1HD ARG 43 7.160 -8.599 -8.571 301 HE ARG 43 HE ARG 43 7.050 -5.794 -9.605 302 1HH1 ARG 43 1HH1 ARG 43 8.688 -8.945 -10.241 303 2HH1 ARG 43 2HH1 ARG 43 9.344 -8.287 -11.672 304 1HH2 ARG 43 1HH2 ARG 43 7.706 -5.226 -11.577 305 2HH2 ARG 43 2HH2 ARG 43 8.676 -6.285 -12.566 306 H CYS 44 H CYS 44 6.067 -5.924 -3.359 307 HA CYS 44 HA CYS 44 4.491 -6.477 -2.063 308 1HB CYS 44 2HB CYS 44 4.148 -3.934 -2.559 309 2HB CYS 44 1HB CYS 44 2.649 -4.447 -3.368 310 H GLN 45 H GLN 45 4.536 -8.117 -4.397 311 HA GLN 45 HA GLN 45 1.801 -8.226 -5.297 312 1HB GLN 45 2HB GLN 45 3.927 -8.171 -6.698 313 2HB GLN 45 1HB GLN 45 4.175 -9.887 -6.254 314 1HG GLN 45 2HG GLN 45 1.747 -10.271 -7.219 315 2HG GLN 45 1HG GLN 45 1.867 -8.575 -7.830 316 1HE2 GLN 45 1HE2 GLN 45 4.308 -8.301 -8.920 317 2HE2 GLN 45 2HE2 GLN 45 4.581 -9.490 -10.161 318 H TYR 46 H TYR 46 4.003 -10.421 -3.508 319 HA TYR 46 HA TYR 46 2.298 -12.632 -4.266 320 1HB TYR 46 2HB TYR 46 4.922 -12.855 -2.738 321 2HB TYR 46 1HB TYR 46 4.132 -14.070 -3.790 322 HD1 TYR 46 1HD TYR 46 3.909 -13.354 -6.309 323 HD2 TYR 46 2HD TYR 46 6.620 -11.629 -3.538 324 HE1 TYR 46 1HE TYR 46 5.304 -12.580 -8.164 325 HE2 TYR 46 2HE TYR 46 8.011 -10.825 -5.382 326 HH TYR 46 HH TYR 46 7.149 -11.442 -8.769 327 H ARG 47 H ARG 47 1.034 -13.766 -2.817 328 HA ARG 47 HA ARG 47 1.292 -12.979 0.002 329 1HB ARG 47 2HB ARG 47 -0.892 -13.884 0.397 330 2HB ARG 47 1HB ARG 47 -0.887 -12.614 -0.857 331 1HG ARG 47 2HG ARG 47 -0.966 -14.400 -2.645 332 2HG ARG 47 1HG ARG 47 -1.133 -15.634 -1.360 333 1HD ARG 47 2HD ARG 47 -3.247 -14.489 -0.572 334 2HD ARG 47 1HD ARG 47 -3.081 -13.265 -1.883 335 HE ARG 47 HE ARG 47 -4.068 -15.999 -2.139 336 1HH1 ARG 47 1HH1 ARG 47 -2.557 -13.317 -3.980 337 2HH1 ARG 47 2HH1 ARG 47 -2.970 -14.029 -5.493 338 1HH2 ARG 47 1HH2 ARG 47 -4.457 -16.915 -4.275 339 2HH2 ARG 47 2HH2 ARG 47 -4.433 -15.775 -5.596 340 H ASP 48 H ASP 48 1.674 -14.448 1.615 341 HA ASP 48 HA ASP 48 2.876 -16.931 0.742 342 1HB ASP 48 2HB ASP 48 4.053 -15.293 2.270 343 2HB ASP 48 1HB ASP 48 2.773 -15.577 3.497 344 H LEU 49 H LEU 49 1.495 -18.642 0.514 345 HA LEU 49 HA LEU 49 -0.930 -18.663 2.052 346 1HB LEU 49 2HB LEU 49 0.156 -20.647 -0.006 347 2HB LEU 49 1HB LEU 49 -1.496 -20.642 0.689 348 HG LEU 49 HG LEU 49 -0.270 -18.463 -1.088 349 1HD1 LEU 49 1HD1 LEU 49 -2.047 -19.211 -2.701 350 2HD1 LEU 49 2HD1 LEU 49 -2.558 -20.484 -1.540 351 3HD1 LEU 49 3HD1 LEU 49 -0.923 -20.566 -2.281 352 1HD2 LEU 49 1HD2 LEU 49 -2.599 -17.486 -1.087 353 2HD2 LEU 49 2HD2 LEU 49 -1.793 -17.347 0.514 354 3HD2 LEU 49 3HD2 LEU 49 -3.056 -18.616 0.237 355 H LYS 50 H LYS 50 2.207 -19.920 2.731 356 HA LYS 50 HA LYS 50 1.638 -22.435 3.615 357 1HB LYS 50 2HB LYS 50 3.697 -21.617 2.771 358 2HB LYS 50 1HB LYS 50 3.717 -20.222 3.867 359 1HG LYS 50 2HG LYS 50 4.040 -23.103 4.888 360 2HG LYS 50 1HG LYS 50 5.378 -22.069 4.246 361 1HD LYS 50 2HD LYS 50 4.383 -20.238 5.854 362 2HD LYS 50 1HD LYS 50 3.716 -21.628 6.758 363 1HE LYS 50 2HE LYS 50 6.049 -22.534 7.110 364 2HE LYS 50 1HE LYS 50 6.723 -21.186 6.102 365 1HZ LYS 50 1HZ LYS 50 6.787 -20.659 8.511 366 2HZ LYS 50 2HZ LYS 50 5.116 -20.881 8.583 367 3HZ LYS 50 3HZ LYS 50 5.759 -19.620 7.646 368 H TRP 51 H TRP 51 1.429 -19.345 5.331 369 HA TRP 51 HA TRP 51 0.982 -20.721 7.837 370 1HB TRP 51 2HB TRP 51 0.954 -18.577 8.877 371 2HB TRP 51 1HB TRP 51 2.359 -18.693 7.767 372 HD1 TRP 51 HD TRP 51 2.127 -17.151 5.405 373 HE1 TRP 51 1HE TRP 51 0.634 -15.153 4.884 374 HE3 TRP 51 3HE TRP 51 -0.986 -17.359 9.410 375 HZ2 TRP 51 2HZ TRP 51 -1.223 -13.517 6.280 376 HZ3 TRP 51 3HZ TRP 51 -2.621 -15.568 9.733 377 HH2 TRP 51 HH TRP 51 -2.736 -13.681 8.204 378 H TRP 52 H TRP 52 -0.919 -19.166 5.356 379 HA TRP 52 HA TRP 52 -3.354 -19.109 6.766 380 1HB TRP 52 2HB TRP 52 -2.714 -19.319 3.770 381 2HB TRP 52 1HB TRP 52 -4.384 -19.218 4.407 382 HD1 TRP 52 HD TRP 52 -1.853 -16.883 3.108 383 HE1 TRP 52 1HE TRP 52 -2.539 -14.477 3.724 384 HE3 TRP 52 3HE TRP 52 -5.416 -17.933 6.567 385 HZ2 TRP 52 2HZ TRP 52 -4.503 -13.223 5.302 386 HZ3 TRP 52 3HZ TRP 52 -6.652 -16.094 7.590 387 HH2 TRP 52 HH TRP 52 -6.201 -13.780 6.981 388 H GLU 53 H GLU 53 -1.974 -21.570 4.590 389 HA GLU 53 HA GLU 53 -4.107 -23.402 5.172 390 1HB GLU 53 2HB GLU 53 -1.514 -23.681 3.601 391 2HB GLU 53 1HB GLU 53 -2.776 -24.945 3.675 392 1HG GLU 53 2HG GLU 53 -3.311 -22.103 2.597 393 2HG GLU 53 1HG GLU 53 -2.732 -23.462 1.589 394 H LEU 54 H LEU 54 -3.248 -22.837 7.566 395 HA LEU 54 HA LEU 54 -1.952 -25.325 8.409 396 1HB LEU 54 2HB LEU 54 -0.644 -23.112 8.737 397 2HB LEU 54 1HB LEU 54 -1.876 -22.678 9.945 398 HG LEU 54 HG LEU 54 -0.144 -25.231 10.008 399 1HD1 LEU 54 1HD1 LEU 54 1.263 -24.058 11.698 400 2HD1 LEU 54 2HD1 LEU 54 0.291 -22.555 11.476 401 3HD1 LEU 54 3HD1 LEU 54 1.286 -23.196 10.111 402 1HD2 LEU 54 1HD2 LEU 54 -0.721 -25.287 12.456 403 2HD2 LEU 54 2HD2 LEU 54 -2.183 -25.468 11.421 404 3HD2 LEU 54 3HD2 LEU 54 -1.834 -23.888 12.221 Start of MODEL 3 1 1H VAL 1 1HT VAL 1 6.647 18.927 8.365 2 2H VAL 1 2HT VAL 1 6.598 18.413 6.779 3 3H VAL 1 3HT VAL 1 7.927 18.103 7.707 4 HA VAL 1 HA VAL 1 6.354 16.160 7.413 5 HB VAL 1 HB VAL 1 6.916 16.987 10.282 6 1HG1 VAL 1 1HG1 VAL 1 7.031 14.495 10.625 7 2HG1 VAL 1 2HG1 VAL 1 6.464 14.221 8.948 8 3HG1 VAL 1 3HG1 VAL 1 5.385 15.002 10.167 9 1HG2 VAL 1 1HG2 VAL 1 9.036 17.089 9.042 10 2HG2 VAL 1 2HG2 VAL 1 8.675 15.542 8.177 11 3HG2 VAL 1 3HG2 VAL 1 8.980 15.553 9.944 12 H VAL 2 H VAL 2 4.190 15.663 7.170 13 HA VAL 2 HA VAL 2 2.506 16.328 9.399 14 HB VAL 2 HB VAL 2 1.732 16.660 6.468 15 1HG1 VAL 2 1HG1 VAL 2 -0.106 15.448 7.651 16 2HG1 VAL 2 2HG1 VAL 2 -0.565 17.165 7.380 17 3HG1 VAL 2 3HG1 VAL 2 -0.031 16.634 9.011 18 1HG2 VAL 2 1HG2 VAL 2 1.672 18.612 8.867 19 2HG2 VAL 2 2HG2 VAL 2 1.046 18.947 7.216 20 3HG2 VAL 2 3HG2 VAL 2 2.804 18.695 7.463 21 H SER 3 H SER 3 1.380 14.458 9.977 22 HA SER 3 HA SER 3 1.630 12.192 8.093 23 1HB SER 3 2HB SER 3 2.984 11.829 10.177 24 2HB SER 3 1HB SER 3 1.473 11.942 11.137 25 HG SER 3 HG SER 3 1.613 9.834 10.681 26 H HIS 4 H HIS 4 -0.341 12.438 7.042 27 HA HIS 4 HA HIS 4 -2.574 11.728 8.773 28 1HB HIS 4 2HB HIS 4 -2.615 13.897 6.632 29 2HB HIS 4 1HB HIS 4 -4.104 13.034 7.156 30 HD1 HIS 4 1HD HIS 4 -3.687 16.123 7.764 31 HD2 HIS 4 2HD HIS 4 -3.068 12.956 10.459 32 HE1 HIS 4 1HE HIS 4 -3.972 17.053 10.058 33 HE2 HIS 4 2HE HIS 4 -3.631 15.149 11.663 34 H PHE 5 H PHE 5 -3.645 9.995 8.187 35 HA PHE 5 HA PHE 5 -2.745 8.673 5.777 36 1HB PHE 5 2HB PHE 5 -4.662 7.714 7.959 37 2HB PHE 5 1HB PHE 5 -3.926 6.705 6.661 38 HD1 PHE 5 1HD PHE 5 -1.112 7.570 6.682 39 HD2 PHE 5 2HD PHE 5 -3.820 6.887 9.886 40 HE1 PHE 5 1HE PHE 5 0.758 7.038 8.139 41 HE2 PHE 5 2HE PHE 5 -1.941 6.337 11.355 42 HZ PHE 5 HZ PHE 5 0.359 6.421 10.486 43 H ASN 6 H ASN 6 -3.794 8.792 3.906 44 HA ASN 6 HA ASN 6 -6.612 9.649 3.967 45 1HB ASN 6 2HB ASN 6 -4.540 10.108 1.761 46 2HB ASN 6 1HB ASN 6 -6.216 10.766 1.826 47 1HD2 ASN 6 1HD2 ASN 6 -6.451 11.813 4.394 48 2HD2 ASN 6 2HD2 ASN 6 -5.315 13.127 4.512 49 H ASP 7 H ASP 7 -7.600 9.220 1.641 50 HA ASP 7 HA ASP 7 -7.395 6.392 1.117 51 1HB ASP 7 2HB ASP 7 -9.573 6.866 -0.133 52 2HB ASP 7 1HB ASP 7 -9.608 7.096 1.638 53 H CYS 8 H CYS 8 -7.857 5.931 -1.372 54 HA CYS 8 HA CYS 8 -5.959 7.649 -2.844 55 1HB CYS 8 2HB CYS 8 -6.235 4.635 -3.123 56 2HB CYS 8 1HB CYS 8 -4.964 5.698 -3.805 57 HA PRO 9 HA PRO 9 -9.674 6.420 -5.307 58 1HB PRO 9 2HB PRO 9 -11.293 8.631 -5.523 59 2HB PRO 9 1HB PRO 9 -11.298 7.558 -4.077 60 1HG PRO 9 2HG PRO 9 -9.795 10.222 -4.381 61 2HG PRO 9 1HG PRO 9 -10.850 9.669 -3.017 62 1HD PRO 9 2HD PRO 9 -8.061 9.369 -2.969 63 2HD PRO 9 1HD PRO 9 -9.217 8.184 -2.206 64 H LEU 10 H LEU 10 -8.259 9.672 -5.659 65 HA LEU 10 HA LEU 10 -8.689 9.724 -8.464 66 1HB LEU 10 2HB LEU 10 -6.987 11.485 -6.635 67 2HB LEU 10 1HB LEU 10 -7.357 11.862 -8.348 68 HG LEU 10 HG LEU 10 -9.496 11.524 -6.167 69 1HD1 LEU 10 1HD1 LEU 10 -8.278 14.112 -7.301 70 2HD1 LEU 10 2HD1 LEU 10 -7.980 13.447 -5.649 71 3HD1 LEU 10 3HD1 LEU 10 -9.635 13.988 -6.123 72 1HD2 LEU 10 1HD2 LEU 10 -10.386 11.156 -8.475 73 2HD2 LEU 10 2HD2 LEU 10 -9.625 12.700 -9.018 74 3HD2 LEU 10 3HD2 LEU 10 -10.957 12.726 -7.809 75 H SER 11 H SER 11 -5.826 9.246 -6.448 76 HA SER 11 HA SER 11 -4.123 8.915 -8.725 77 1HB SER 11 2HB SER 11 -3.477 10.031 -6.572 78 2HB SER 11 1HB SER 11 -3.529 8.436 -5.760 79 HG SER 11 HG SER 11 -1.495 9.372 -6.709 80 H HIS 12 H HIS 12 -4.495 7.090 -9.922 81 HA HIS 12 HA HIS 12 -4.664 4.521 -8.542 82 1HB HIS 12 2HB HIS 12 -4.731 5.107 -11.539 83 2HB HIS 12 1HB HIS 12 -5.066 3.544 -10.722 84 HD1 HIS 12 1HD HIS 12 -7.125 3.883 -12.306 85 HD2 HIS 12 2HD HIS 12 -7.119 6.313 -8.898 86 HE1 HIS 12 1HE HIS 12 -9.482 4.828 -12.058 87 HE2 HIS 12 2HE HIS 12 -9.451 6.199 -9.960 88 H ASP 13 H ASP 13 -2.703 3.573 -7.986 89 HA ASP 13 HA ASP 13 -0.371 4.323 -9.450 90 1HB ASP 13 2HB ASP 13 0.872 3.063 -7.785 91 2HB ASP 13 1HB ASP 13 -0.291 4.176 -6.995 92 H GLY 14 H GLY 14 1.163 2.713 -10.236 93 1HA GLY 14 2HA GLY 14 -0.248 0.456 -11.528 94 2HA GLY 14 1HA GLY 14 1.213 1.315 -12.129 95 H TYR 15 H TYR 15 1.705 1.124 -8.924 96 HA TYR 15 HA TYR 15 3.622 -0.997 -9.436 97 1HB TYR 15 2HB TYR 15 4.200 1.331 -8.540 98 2HB TYR 15 1HB TYR 15 3.432 0.853 -6.989 99 HD1 TYR 15 1HD TYR 15 6.246 0.320 -9.286 100 HD2 TYR 15 2HD TYR 15 4.434 -0.917 -5.646 101 HE1 TYR 15 1HE TYR 15 8.290 -0.868 -8.670 102 HE2 TYR 15 2HE TYR 15 6.469 -2.116 -5.030 103 HH TYR 15 HH TYR 15 8.436 -2.967 -5.856 104 H CYS 16 H CYS 16 1.093 -0.273 -6.891 105 HA CYS 16 HA CYS 16 1.936 -2.745 -5.622 106 1HB CYS 16 2HB CYS 16 0.178 -0.413 -4.773 107 2HB CYS 16 1HB CYS 16 0.351 -1.912 -3.790 108 H LEU 17 H LEU 17 0.731 -4.543 -5.443 109 HA LEU 17 HA LEU 17 -1.818 -4.546 -6.867 110 1HB LEU 17 2HB LEU 17 -0.035 -6.882 -6.028 111 2HB LEU 17 1HB LEU 17 -1.590 -6.999 -6.894 112 HG LEU 17 HG LEU 17 -0.010 -7.355 -8.505 113 1HD1 LEU 17 1HD1 LEU 17 -0.193 -5.550 -10.142 114 2HD1 LEU 17 2HD1 LEU 17 -0.576 -4.353 -8.863 115 3HD1 LEU 17 3HD1 LEU 17 -1.743 -5.682 -9.234 116 1HD2 LEU 17 1HD2 LEU 17 2.022 -6.081 -8.978 117 2HD2 LEU 17 2HD2 LEU 17 2.034 -6.596 -7.244 118 3HD2 LEU 17 3HD2 LEU 17 1.659 -4.898 -7.689 119 H HIS 18 H HIS 18 -3.552 -5.667 -6.077 120 HA HIS 18 HA HIS 18 -5.191 -5.800 -4.685 121 1HB HIS 18 2HB HIS 18 -3.098 -7.357 -3.233 122 2HB HIS 18 1HB HIS 18 -4.613 -7.008 -2.353 123 HD1 HIS 18 1HD HIS 18 -6.747 -8.007 -3.086 124 HD2 HIS 18 2HD HIS 18 -3.586 -9.085 -5.611 125 HE1 HIS 18 1HE HIS 18 -7.632 -9.789 -4.644 126 HE2 HIS 18 2HE HIS 18 -5.728 -10.398 -6.165 127 H ASP 19 H ASP 19 -4.974 -3.441 -4.829 128 HA ASP 19 HA ASP 19 -5.380 -1.496 -3.983 129 1HB ASP 19 2HB ASP 19 -6.505 -3.259 -1.783 130 2HB ASP 19 1HB ASP 19 -6.550 -1.467 -1.613 131 H GLY 20 H GLY 20 -3.197 -0.841 -4.080 132 1HA GLY 20 2HA GLY 20 -1.495 -1.015 -1.850 133 2HA GLY 20 1HA GLY 20 -1.381 0.056 -3.288 134 H VAL 21 H VAL 21 -1.528 0.128 0.030 135 HA VAL 21 HA VAL 21 -3.310 2.354 0.230 136 HB VAL 21 HB VAL 21 -1.502 1.040 2.258 137 1HG1 VAL 21 1HG1 VAL 21 -1.833 3.446 2.887 138 2HG1 VAL 21 2HG1 VAL 21 -2.855 2.392 3.912 139 3HG1 VAL 21 3HG1 VAL 21 -3.603 3.303 2.556 140 1HG2 VAL 21 1HG2 VAL 21 -3.732 0.242 3.127 141 2HG2 VAL 21 2HG2 VAL 21 -3.446 -0.352 1.452 142 3HG2 VAL 21 3HG2 VAL 21 -4.560 1.034 1.740 143 H CYS 22 H CYS 22 -2.803 4.268 -0.458 144 HA CYS 22 HA CYS 22 -0.103 4.929 -1.052 145 1HB CYS 22 2HB CYS 22 -1.084 6.983 -2.012 146 2HB CYS 22 1HB CYS 22 -1.864 5.495 -2.616 147 H MET 23 H MET 23 1.319 6.229 0.060 148 HA MET 23 HA MET 23 0.028 8.203 1.786 149 1HB MET 23 2HB MET 23 1.662 8.240 3.433 150 2HB MET 23 1HB MET 23 0.937 6.624 3.302 151 1HG MET 23 2HG MET 23 3.026 5.911 3.540 152 2HG MET 23 1HG MET 23 3.083 6.112 1.770 153 1HE MET 23 1HE MET 23 3.254 8.390 5.033 154 2HE MET 23 2HE MET 23 5.030 8.573 5.189 155 3HE MET 23 3HE MET 23 4.295 6.941 5.236 156 H TYR 24 H TYR 24 -0.086 9.827 0.541 157 HA TYR 24 HA TYR 24 2.464 10.977 -0.323 158 1HB TYR 24 2HB TYR 24 1.433 10.286 -2.441 159 2HB TYR 24 1HB TYR 24 -0.183 10.901 -1.890 160 HD1 TYR 24 1HD TYR 24 3.302 12.339 -2.063 161 HD2 TYR 24 2HD TYR 24 -0.830 12.661 -3.034 162 HE1 TYR 24 1HE TYR 24 3.709 14.527 -3.037 163 HE2 TYR 24 2HE TYR 24 -0.443 14.829 -4.024 164 HH TYR 24 HH TYR 24 2.765 16.412 -3.861 165 H ILE 25 H ILE 25 2.777 12.557 1.191 166 HA ILE 25 HA ILE 25 0.390 14.033 2.057 167 HB ILE 25 HB ILE 25 3.072 13.634 3.415 168 1HG1 ILE 25 2HG1 ILE 25 1.350 12.718 5.203 169 2HG1 ILE 25 1HG1 ILE 25 0.313 12.369 3.793 170 1HG2 ILE 25 1HG2 ILE 25 0.484 15.163 4.130 171 2HG2 ILE 25 2HG2 ILE 25 2.107 15.890 3.793 172 3HG2 ILE 25 3HG2 ILE 25 1.861 14.871 5.261 173 1HD1 ILE 25 1HD1 ILE 25 3.210 11.338 4.239 174 2HD1 ILE 25 2HD1 ILE 25 2.129 10.852 2.881 175 3HD1 ILE 25 3HD1 ILE 25 1.709 10.406 4.567 176 H GLU 26 H GLU 26 0.173 15.886 1.021 177 HA GLU 26 HA GLU 26 2.016 16.806 -0.786 178 1HB GLU 26 2HB GLU 26 -0.473 18.128 0.403 179 2HB GLU 26 1HB GLU 26 0.412 18.697 -1.051 180 1HG GLU 26 2HG GLU 26 0.094 16.408 -2.085 181 2HG GLU 26 1HG GLU 26 -1.005 15.961 -0.734 182 H ALA 27 H ALA 27 1.496 17.865 2.533 183 HA ALA 27 HA ALA 27 2.988 20.138 2.590 184 1HB ALA 27 1HB ALA 27 1.634 19.172 4.477 185 2HB ALA 27 2HB ALA 27 3.296 19.601 5.015 186 3HB ALA 27 3HB ALA 27 2.863 17.878 4.685 187 H LEU 28 H LEU 28 4.182 16.826 2.621 188 HA LEU 28 HA LEU 28 6.946 17.667 2.973 189 1HB LEU 28 2HB LEU 28 5.562 14.962 2.683 190 2HB LEU 28 1HB LEU 28 7.343 15.151 2.709 191 HG LEU 28 HG LEU 28 6.245 16.597 4.973 192 1HD1 LEU 28 1HD1 LEU 28 5.281 13.683 4.636 193 2HD1 LEU 28 2HD1 LEU 28 4.281 15.163 4.921 194 3HD1 LEU 28 3HD1 LEU 28 5.365 14.517 6.220 195 1HD2 LEU 28 1HD2 LEU 28 7.789 15.010 6.205 196 2HD2 LEU 28 2HD2 LEU 28 8.566 15.776 4.767 197 3HD2 LEU 28 3HD2 LEU 28 7.994 14.070 4.689 198 H ASP 29 H ASP 29 4.750 16.208 0.655 199 HA ASP 29 HA ASP 29 4.607 15.946 -1.402 200 1HB ASP 29 2HB ASP 29 5.613 18.282 -1.484 201 2HB ASP 29 1HB ASP 29 7.139 17.519 -2.026 202 H LYS 30 H LYS 30 6.000 14.072 0.311 203 HA LYS 30 HA LYS 30 7.501 12.600 -1.719 204 1HB LYS 30 2HB LYS 30 8.682 11.445 -0.065 205 2HB LYS 30 1HB LYS 30 8.816 13.206 0.157 206 1HG LYS 30 2HG LYS 30 8.681 12.425 2.317 207 2HG LYS 30 1HG LYS 30 7.016 13.003 1.999 208 1HD LYS 30 2HD LYS 30 6.311 10.668 1.526 209 2HD LYS 30 1HD LYS 30 7.955 10.058 1.821 210 1HE LYS 30 2HE LYS 30 6.363 11.631 3.968 211 2HE LYS 30 1HE LYS 30 6.104 9.870 3.705 212 1HZ LYS 30 1HZ LYS 30 8.328 9.408 4.323 213 2HZ LYS 30 2HZ LYS 30 7.622 10.398 5.464 214 3HZ LYS 30 3HZ LYS 30 8.755 11.062 4.427 215 H TYR 31 H TYR 31 7.180 10.498 -2.112 216 HA TYR 31 HA TYR 31 4.462 9.535 -1.612 217 1HB TYR 31 2HB TYR 31 6.476 9.451 -3.894 218 2HB TYR 31 1HB TYR 31 5.417 8.028 -3.728 219 HD1 TYR 31 1HD TYR 31 3.257 8.014 -4.415 220 HD2 TYR 31 2HD TYR 31 5.372 11.694 -4.265 221 HE1 TYR 31 1HE TYR 31 1.562 9.035 -5.846 222 HE2 TYR 31 2HE TYR 31 3.649 12.740 -5.662 223 HH TYR 31 HH TYR 31 1.285 10.840 -7.326 224 H ALA 32 H ALA 32 4.073 7.511 -0.817 225 HA ALA 32 HA ALA 32 5.890 5.515 -1.667 226 1HB ALA 32 1HB ALA 32 6.884 6.045 0.589 227 2HB ALA 32 2HB ALA 32 6.257 4.369 0.495 228 3HB ALA 32 3HB ALA 32 5.308 5.638 1.350 229 H CYS 33 H CYS 33 5.004 3.275 -0.890 230 HA CYS 33 HA CYS 33 2.078 3.274 -0.760 231 1HB CYS 33 2HB CYS 33 2.805 2.595 -3.057 232 2HB CYS 33 1HB CYS 33 3.967 1.450 -2.345 233 H ASN 34 H ASN 34 1.318 1.939 0.879 234 HA ASN 34 HA ASN 34 3.296 0.178 2.151 235 1HB ASN 34 2HB ASN 34 2.076 2.093 3.513 236 2HB ASN 34 1HB ASN 34 0.658 1.004 3.470 237 1HD2 ASN 34 1HD2 ASN 34 1.184 -1.373 4.328 238 2HD2 ASN 34 2HD2 ASN 34 2.323 -1.438 5.646 239 H CYS 35 H CYS 35 2.805 -2.002 2.229 240 HA CYS 35 HA CYS 35 0.630 -2.768 0.433 241 1HB CYS 35 2HB CYS 35 3.097 -4.287 1.428 242 2HB CYS 35 1HB CYS 35 1.889 -4.902 0.251 243 H VAL 36 H VAL 36 -0.231 -5.083 0.978 244 HA VAL 36 HA VAL 36 -1.430 -4.941 3.529 245 HB VAL 36 HB VAL 36 -1.431 -7.251 1.586 246 1HG1 VAL 36 1HG1 VAL 36 -3.767 -7.587 2.544 247 2HG1 VAL 36 2HG1 VAL 36 -3.393 -6.378 3.819 248 3HG1 VAL 36 3HG1 VAL 36 -2.464 -7.939 3.712 249 1HG2 VAL 36 1HG2 VAL 36 -3.156 -4.699 1.675 250 2HG2 VAL 36 2HG2 VAL 36 -3.592 -6.188 0.762 251 3HG2 VAL 36 3HG2 VAL 36 -2.126 -5.280 0.309 252 H VAL 37 H VAL 37 -1.410 -6.655 5.139 253 HA VAL 37 HA VAL 37 1.300 -7.286 5.800 254 HB VAL 37 HB VAL 37 -1.257 -7.834 7.325 255 1HG1 VAL 37 1HG1 VAL 37 0.347 -8.015 9.270 256 2HG1 VAL 37 2HG1 VAL 37 1.735 -7.933 8.129 257 3HG1 VAL 37 3HG1 VAL 37 0.593 -9.336 8.084 258 1HG2 VAL 37 1HG2 VAL 37 -0.459 -5.827 8.651 259 2HG2 VAL 37 2HG2 VAL 37 -0.893 -5.387 6.964 260 3HG2 VAL 37 3HG2 VAL 37 0.839 -5.559 7.437 261 H GLY 38 H GLY 38 2.301 -9.066 5.403 262 1HA GLY 38 2HA GLY 38 2.629 -11.321 5.407 263 2HA GLY 38 1HA GLY 38 0.890 -11.604 5.066 264 H TYR 39 H TYR 39 2.700 -9.196 3.269 265 HA TYR 39 HA TYR 39 2.658 -10.985 0.939 266 1HB TYR 39 2HB TYR 39 1.889 -8.035 1.150 267 2HB TYR 39 1HB TYR 39 2.329 -8.822 -0.413 268 HD1 TYR 39 1HD TYR 39 0.761 -10.031 -1.590 269 HD2 TYR 39 2HD TYR 39 0.008 -9.149 2.495 270 HE1 TYR 39 1HE TYR 39 -1.527 -10.865 -1.832 271 HE2 TYR 39 2HE TYR 39 -2.250 -10.020 2.281 272 HH TYR 39 HH TYR 39 -3.624 -11.223 0.998 273 H ILE 40 H ILE 40 4.276 -10.942 -0.464 274 HA ILE 40 HA ILE 40 6.727 -9.573 0.325 275 HB ILE 40 HB ILE 40 7.899 -11.772 -0.202 276 1HG1 ILE 40 2HG1 ILE 40 5.114 -12.923 0.413 277 2HG1 ILE 40 1HG1 ILE 40 5.786 -12.803 -1.242 278 1HG2 ILE 40 1HG2 ILE 40 7.662 -12.523 2.122 279 2HG2 ILE 40 2HG2 ILE 40 6.097 -11.665 2.297 280 3HG2 ILE 40 3HG2 ILE 40 7.625 -10.726 2.084 281 1HD1 ILE 40 1HD1 ILE 40 6.157 -15.077 -0.347 282 2HD1 ILE 40 2HD1 ILE 40 6.992 -14.421 1.099 283 3HD1 ILE 40 3HD1 ILE 40 7.747 -14.242 -0.526 284 H GLY 41 H GLY 41 8.436 -10.115 -1.514 285 1HA GLY 41 2HA GLY 41 8.821 -10.278 -3.746 286 2HA GLY 41 1HA GLY 41 7.084 -10.026 -4.110 287 H GLU 42 H GLU 42 8.945 -8.697 -5.590 288 HA GLU 42 HA GLU 42 9.927 -6.354 -4.563 289 1HB GLU 42 2HB GLU 42 9.188 -7.141 -7.432 290 2HB GLU 42 1HB GLU 42 10.208 -5.737 -6.997 291 1HG GLU 42 2HG GLU 42 10.898 -8.686 -6.359 292 2HG GLU 42 1HG GLU 42 11.565 -7.716 -7.712 293 H ARG 43 H ARG 43 6.866 -6.900 -6.295 294 HA ARG 43 HA ARG 43 6.033 -4.219 -5.385 295 1HB ARG 43 2HB ARG 43 4.401 -4.250 -7.262 296 2HB ARG 43 1HB ARG 43 6.117 -4.139 -7.726 297 1HG ARG 43 2HG ARG 43 6.150 -6.580 -8.254 298 2HG ARG 43 1HG ARG 43 4.380 -6.670 -7.949 299 1HD ARG 43 2HD ARG 43 3.920 -5.127 -9.801 300 2HD ARG 43 1HD ARG 43 5.675 -4.716 -9.974 301 HE ARG 43 HE ARG 43 5.869 -7.358 -10.340 302 1HH1 ARG 43 1HH1 ARG 43 3.998 -4.816 -12.000 303 2HH1 ARG 43 2HH1 ARG 43 3.908 -5.732 -13.461 304 1HH2 ARG 43 1HH2 ARG 43 5.628 -8.544 -12.254 305 2HH2 ARG 43 2HH2 ARG 43 4.847 -7.831 -13.626 306 H CYS 44 H CYS 44 6.029 -6.528 -3.733 307 HA CYS 44 HA CYS 44 4.773 -7.509 -2.260 308 1HB CYS 44 2HB CYS 44 2.790 -5.271 -2.864 309 2HB CYS 44 1HB CYS 44 2.759 -6.317 -1.414 310 H GLN 45 H GLN 45 4.487 -8.590 -4.893 311 HA GLN 45 HA GLN 45 1.688 -8.912 -5.362 312 1HB GLN 45 2HB GLN 45 3.590 -8.603 -7.082 313 2HB GLN 45 1HB GLN 45 3.976 -10.323 -6.806 314 1HG GLN 45 2HG GLN 45 1.456 -10.810 -7.399 315 2HG GLN 45 1HG GLN 45 1.358 -9.060 -7.833 316 1HE2 GLN 45 1HE2 GLN 45 2.392 -8.334 -9.706 317 2HE2 GLN 45 2HE2 GLN 45 3.015 -9.432 -10.925 318 H TYR 46 H TYR 46 4.164 -10.919 -3.810 319 HA TYR 46 HA TYR 46 2.440 -13.253 -4.206 320 1HB TYR 46 2HB TYR 46 5.121 -13.682 -3.009 321 2HB TYR 46 1HB TYR 46 4.215 -14.645 -4.209 322 HD1 TYR 46 1HD TYR 46 7.083 -13.049 -3.725 323 HD2 TYR 46 2HD TYR 46 3.917 -13.031 -6.566 324 HE1 TYR 46 1HE TYR 46 8.610 -12.188 -5.417 325 HE2 TYR 46 2HE TYR 46 5.430 -12.147 -8.245 326 HH TYR 46 HH TYR 46 8.869 -11.565 -7.537 327 H ARG 47 H ARG 47 1.970 -14.617 -2.349 328 HA ARG 47 HA ARG 47 1.856 -12.999 0.100 329 1HB ARG 47 2HB ARG 47 -0.251 -13.626 -0.902 330 2HB ARG 47 1HB ARG 47 0.178 -15.355 -0.839 331 1HG ARG 47 2HG ARG 47 -0.090 -15.451 1.530 332 2HG ARG 47 1HG ARG 47 0.209 -13.699 1.728 333 1HD ARG 47 2HD ARG 47 -2.169 -14.318 2.190 334 2HD ARG 47 1HD ARG 47 -1.962 -13.078 0.884 335 HE ARG 47 HE ARG 47 -2.008 -15.600 -0.440 336 1HH1 ARG 47 1HH1 ARG 47 -4.307 -13.530 1.418 337 2HH1 ARG 47 2HH1 ARG 47 -5.638 -14.090 0.477 338 1HH2 ARG 47 1HH2 ARG 47 -3.797 -16.498 -1.313 339 2HH2 ARG 47 2HH2 ARG 47 -5.404 -15.996 -0.850 340 H ASP 48 H ASP 48 2.519 -13.761 2.073 341 HA ASP 48 HA ASP 48 4.477 -15.869 1.985 342 1HB ASP 48 2HB ASP 48 4.656 -13.450 3.004 343 2HB ASP 48 1HB ASP 48 3.692 -14.100 4.370 344 H LEU 49 H LEU 49 3.862 -17.897 2.382 345 HA LEU 49 HA LEU 49 1.140 -18.277 3.172 346 1HB LEU 49 2HB LEU 49 3.184 -20.309 2.210 347 2HB LEU 49 1HB LEU 49 1.404 -20.508 2.256 348 HG LEU 49 HG LEU 49 2.931 -18.494 0.502 349 1HD1 LEU 49 1HD1 LEU 49 3.318 -20.871 -0.176 350 2HD1 LEU 49 2HD1 LEU 49 2.322 -19.977 -1.382 351 3HD1 LEU 49 3HD1 LEU 49 1.536 -21.135 -0.246 352 1HD2 LEU 49 1HD2 LEU 49 -0.064 -19.245 0.548 353 2HD2 LEU 49 2HD2 LEU 49 0.747 -18.200 -0.675 354 3HD2 LEU 49 3HD2 LEU 49 0.648 -17.655 1.032 355 H LYS 50 H LYS 50 4.085 -18.679 4.888 356 HA LYS 50 HA LYS 50 3.879 -21.235 5.598 357 1HB LYS 50 2HB LYS 50 5.329 -18.960 7.022 358 2HB LYS 50 1HB LYS 50 5.536 -20.681 7.455 359 1HG LYS 50 2HG LYS 50 7.350 -20.154 6.141 360 2HG LYS 50 1HG LYS 50 6.310 -21.194 5.123 361 1HD LYS 50 2HD LYS 50 5.630 -19.300 3.755 362 2HD LYS 50 1HD LYS 50 6.222 -18.127 4.990 363 1HE LYS 50 2HE LYS 50 8.574 -18.794 4.537 364 2HE LYS 50 1HE LYS 50 8.019 -19.966 3.270 365 1HZ LYS 50 1HZ LYS 50 7.352 -17.065 3.242 366 2HZ LYS 50 2HZ LYS 50 7.098 -18.148 2.022 367 3HZ LYS 50 3HZ LYS 50 8.705 -17.731 2.442 368 H TRP 51 H TRP 51 2.311 -18.682 7.508 369 HA TRP 51 HA TRP 51 1.975 -20.578 9.675 370 1HB TRP 51 2HB TRP 51 0.875 -18.813 10.892 371 2HB TRP 51 1HB TRP 51 2.491 -18.345 10.292 372 HD1 TRP 51 HD TRP 51 -1.178 -17.256 10.036 373 HE1 TRP 51 1HE TRP 51 -1.271 -15.086 8.650 374 HE3 TRP 51 3HE TRP 51 3.649 -17.111 8.448 375 HZ2 TRP 51 2HZ TRP 51 0.520 -13.453 7.238 376 HZ3 TRP 51 3HZ TRP 51 4.379 -15.230 7.069 377 HH2 TRP 51 HH TRP 51 2.860 -13.435 6.476 378 H TRP 52 H TRP 52 -0.104 -19.088 7.219 379 HA TRP 52 HA TRP 52 -2.430 -20.167 8.503 380 1HB TRP 52 2HB TRP 52 -3.680 -18.737 6.983 381 2HB TRP 52 1HB TRP 52 -2.390 -17.836 7.823 382 HD1 TRP 52 HD TRP 52 -0.224 -17.041 6.224 383 HE1 TRP 52 1HE TRP 52 -0.050 -16.722 3.715 384 HE3 TRP 52 3HE TRP 52 -4.427 -19.538 4.833 385 HZ2 TRP 52 2HZ TRP 52 -1.618 -17.315 1.409 386 HZ3 TRP 52 3HZ TRP 52 -4.996 -19.664 2.462 387 HH2 TRP 52 HH TRP 52 -3.615 -18.571 0.775 388 H GLU 53 H GLU 53 -0.408 -21.596 6.343 389 HA GLU 53 HA GLU 53 -2.082 -22.345 4.287 390 1HB GLU 53 2HB GLU 53 -0.204 -23.787 3.649 391 2HB GLU 53 1HB GLU 53 0.316 -22.150 4.073 392 1HG GLU 53 2HG GLU 53 1.281 -22.769 6.156 393 2HG GLU 53 1HG GLU 53 0.402 -24.333 6.233 394 H LEU 54 H LEU 54 -3.621 -23.052 6.371 395 HA LEU 54 HA LEU 54 -3.559 -25.922 6.740 396 1HB LEU 54 2HB LEU 54 -5.270 -23.636 7.776 397 2HB LEU 54 1HB LEU 54 -5.783 -25.333 7.974 398 HG LEU 54 HG LEU 54 -4.790 -24.494 9.985 399 1HD1 LEU 54 1HD1 LEU 54 -4.577 -26.926 9.431 400 2HD1 LEU 54 2HD1 LEU 54 -3.247 -26.330 10.492 401 3HD1 LEU 54 3HD1 LEU 54 -2.937 -26.616 8.744 402 1HD2 LEU 54 1HD2 LEU 54 -2.420 -23.944 10.281 403 2HD2 LEU 54 2HD2 LEU 54 -3.163 -22.827 9.077 404 3HD2 LEU 54 3HD2 LEU 54 -2.097 -24.179 8.527 Start of MODEL 4 1 1H VAL 1 1HT VAL 1 6.041 19.789 6.125 2 2H VAL 1 2HT VAL 1 6.414 20.902 7.317 3 3H VAL 1 3HT VAL 1 4.885 20.889 6.656 4 HA VAL 1 HA VAL 1 5.964 18.545 8.057 5 HB VAL 1 HB VAL 1 4.758 19.281 10.117 6 1HG1 VAL 1 1HG1 VAL 1 6.566 20.728 10.894 7 2HG1 VAL 1 2HG1 VAL 1 7.126 21.041 9.219 8 3HG1 VAL 1 3HG1 VAL 1 7.228 19.377 9.913 9 1HG2 VAL 1 1HG2 VAL 1 4.718 22.044 8.715 10 2HG2 VAL 1 2HG2 VAL 1 4.264 21.673 10.407 11 3HG2 VAL 1 3HG2 VAL 1 3.268 21.029 9.064 12 H VAL 2 H VAL 2 4.336 17.042 8.879 13 HA VAL 2 HA VAL 2 2.028 17.036 7.158 14 HB VAL 2 HB VAL 2 3.510 15.107 7.399 15 1HG1 VAL 2 1HG1 VAL 2 4.047 15.331 9.868 16 2HG1 VAL 2 2HG1 VAL 2 3.436 13.702 9.413 17 3HG1 VAL 2 3HG1 VAL 2 2.349 14.852 10.253 18 1HG2 VAL 2 1HG2 VAL 2 1.139 14.871 6.633 19 2HG2 VAL 2 2HG2 VAL 2 0.617 14.590 8.339 20 3HG2 VAL 2 3HG2 VAL 2 1.723 13.433 7.533 21 H SER 3 H SER 3 -0.129 17.094 7.902 22 HA SER 3 HA SER 3 -0.443 17.594 10.792 23 1HB SER 3 2HB SER 3 -2.490 18.871 10.281 24 2HB SER 3 1HB SER 3 -0.993 19.644 9.679 25 HG SER 3 HG SER 3 -2.524 19.728 8.101 26 H HIS 4 H HIS 4 -2.104 16.308 7.895 27 HA HIS 4 HA HIS 4 -3.072 14.118 9.615 28 1HB HIS 4 2HB HIS 4 -4.809 15.915 8.781 29 2HB HIS 4 1HB HIS 4 -4.600 15.167 7.178 30 HD1 HIS 4 1HD HIS 4 -5.582 14.335 10.753 31 HD2 HIS 4 2HD HIS 4 -6.298 12.906 6.871 32 HE1 HIS 4 1HE HIS 4 -7.405 12.613 10.934 33 HE2 HIS 4 2HE HIS 4 -7.854 11.809 8.579 34 H PHE 5 H PHE 5 -3.152 12.027 8.624 35 HA PHE 5 HA PHE 5 -1.506 11.821 6.225 36 1HB PHE 5 2HB PHE 5 -2.360 9.886 8.428 37 2HB PHE 5 1HB PHE 5 -1.805 9.255 6.846 38 HD1 PHE 5 1HD PHE 5 -0.734 11.509 9.642 39 HD2 PHE 5 2HD PHE 5 0.391 9.138 6.305 40 HE1 PHE 5 1HE PHE 5 1.612 11.757 10.264 41 HE2 PHE 5 2HE PHE 5 2.747 9.405 6.900 42 HZ PHE 5 HZ PHE 5 3.366 10.709 8.897 43 H ASN 6 H ASN 6 -2.140 10.598 4.432 44 HA ASN 6 HA ASN 6 -5.050 10.596 4.045 45 1HB ASN 6 2HB ASN 6 -2.802 10.713 1.956 46 2HB ASN 6 1HB ASN 6 -4.568 10.863 1.641 47 1HD2 ASN 6 1HD2 ASN 6 -2.053 12.705 1.393 48 2HD2 ASN 6 2HD2 ASN 6 -2.621 14.215 2.075 49 H ASP 7 H ASP 7 -6.000 8.896 2.846 50 HA ASP 7 HA ASP 7 -4.342 6.519 2.441 51 1HB ASP 7 2HB ASP 7 -6.407 5.249 2.189 52 2HB ASP 7 1HB ASP 7 -6.360 6.067 3.771 53 H CYS 8 H CYS 8 -5.718 5.421 0.270 54 HA CYS 8 HA CYS 8 -4.264 6.640 -1.661 55 1HB CYS 8 2HB CYS 8 -6.552 4.642 -1.751 56 2HB CYS 8 1HB CYS 8 -5.849 5.229 -3.279 57 HA PRO 9 HA PRO 9 -6.877 9.848 -3.002 58 1HB PRO 9 2HB PRO 9 -5.668 10.666 -5.310 59 2HB PRO 9 1HB PRO 9 -4.755 10.671 -3.755 60 1HG PRO 9 2HG PRO 9 -4.748 8.439 -5.882 61 2HG PRO 9 1HG PRO 9 -3.313 9.309 -5.180 62 1HD PRO 9 2HD PRO 9 -4.316 6.902 -4.172 63 2HD PRO 9 1HD PRO 9 -3.548 8.158 -3.091 64 H LEU 10 H LEU 10 -8.050 10.638 -5.091 65 HA LEU 10 HA LEU 10 -10.011 8.829 -5.627 66 1HB LEU 10 2HB LEU 10 -9.224 11.362 -7.166 67 2HB LEU 10 1HB LEU 10 -10.763 10.476 -7.333 68 HG LEU 10 HG LEU 10 -11.103 10.887 -4.789 69 1HD1 LEU 10 1HD1 LEU 10 -10.177 13.126 -4.034 70 2HD1 LEU 10 2HD1 LEU 10 -9.038 13.103 -5.421 71 3HD1 LEU 10 3HD1 LEU 10 -8.914 11.860 -4.110 72 1HD2 LEU 10 1HD2 LEU 10 -11.246 13.178 -6.848 73 2HD2 LEU 10 2HD2 LEU 10 -12.192 13.069 -5.319 74 3HD2 LEU 10 3HD2 LEU 10 -12.463 11.865 -6.629 75 H SER 11 H SER 11 -7.144 9.554 -7.583 76 HA SER 11 HA SER 11 -8.016 7.827 -9.707 77 1HB SER 11 2HB SER 11 -5.207 8.929 -9.227 78 2HB SER 11 1HB SER 11 -5.847 8.196 -10.742 79 HG SER 11 HG SER 11 -6.497 10.622 -9.486 80 H HIS 12 H HIS 12 -7.224 5.807 -10.239 81 HA HIS 12 HA HIS 12 -6.512 4.218 -7.987 82 1HB HIS 12 2HB HIS 12 -8.137 3.678 -9.891 83 2HB HIS 12 1HB HIS 12 -6.722 3.384 -10.931 84 HD1 HIS 12 1HD HIS 12 -5.080 1.287 -9.718 85 HD2 HIS 12 2HD HIS 12 -9.172 1.530 -8.775 86 HE1 HIS 12 1HE HIS 12 -5.759 -0.944 -8.847 87 HE2 HIS 12 2HE HIS 12 -8.201 -0.848 -8.409 88 H ASP 13 H ASP 13 -4.647 2.911 -7.675 89 HA ASP 13 HA ASP 13 -2.238 3.939 -8.647 90 1HB ASP 13 2HB ASP 13 -1.294 2.002 -7.280 91 2HB ASP 13 1HB ASP 13 -2.359 3.140 -6.386 92 H GLY 14 H GLY 14 -0.589 2.815 -9.710 93 1HA GLY 14 2HA GLY 14 -1.376 0.496 -11.323 94 2HA GLY 14 1HA GLY 14 -0.694 1.981 -12.079 95 H TYR 15 H TYR 15 1.202 2.522 -9.947 96 HA TYR 15 HA TYR 15 3.276 0.814 -10.802 97 1HB TYR 15 2HB TYR 15 3.520 3.261 -10.366 98 2HB TYR 15 1HB TYR 15 3.119 2.998 -8.640 99 HD1 TYR 15 1HD TYR 15 4.921 2.952 -7.238 100 HD2 TYR 15 2HD TYR 15 5.455 1.590 -11.229 101 HE1 TYR 15 1HE TYR 15 7.285 2.534 -6.778 102 HE2 TYR 15 2HE TYR 15 7.810 1.153 -10.772 103 HH TYR 15 HH TYR 15 9.432 1.080 -9.158 104 H CYS 16 H CYS 16 1.223 0.898 -7.954 105 HA CYS 16 HA CYS 16 2.946 -1.010 -6.578 106 1HB CYS 16 2HB CYS 16 0.483 0.491 -5.584 107 2HB CYS 16 1HB CYS 16 1.607 -0.508 -4.594 108 H LEU 17 H LEU 17 2.285 -3.138 -6.122 109 HA LEU 17 HA LEU 17 0.307 -3.962 -8.069 110 1HB LEU 17 2HB LEU 17 2.779 -5.169 -6.932 111 2HB LEU 17 1HB LEU 17 1.487 -6.267 -7.479 112 HG LEU 17 HG LEU 17 1.408 -5.199 -9.692 113 1HD1 LEU 17 1HD1 LEU 17 2.176 -2.933 -9.385 114 2HD1 LEU 17 2HD1 LEU 17 3.409 -3.742 -10.399 115 3HD1 LEU 17 3HD1 LEU 17 3.724 -3.462 -8.644 116 1HD2 LEU 17 1HD2 LEU 17 3.540 -6.174 -10.520 117 2HD2 LEU 17 2HD2 LEU 17 2.735 -7.225 -9.295 118 3HD2 LEU 17 3HD2 LEU 17 4.171 -6.237 -8.826 119 H HIS 18 H HIS 18 -0.946 -5.767 -7.824 120 HA HIS 18 HA HIS 18 -2.846 -6.460 -7.161 121 1HB HIS 18 2HB HIS 18 -1.165 -7.961 -6.011 122 2HB HIS 18 1HB HIS 18 -1.563 -7.118 -4.486 123 HD1 HIS 18 1HD HIS 18 -1.930 -10.057 -4.770 124 HD2 HIS 18 2HD HIS 18 -5.054 -7.412 -5.668 125 HE1 HIS 18 1HE HIS 18 -4.076 -11.350 -4.514 126 HE2 HIS 18 2HE HIS 18 -5.922 -9.786 -5.145 127 H ASP 19 H ASP 19 -2.969 -3.831 -7.030 128 HA ASP 19 HA ASP 19 -3.932 -2.074 -6.248 129 1HB ASP 19 2HB ASP 19 -5.891 -3.989 -4.911 130 2HB ASP 19 1HB ASP 19 -6.195 -2.259 -5.337 131 H GLY 20 H GLY 20 -2.305 -1.171 -5.126 132 1HA GLY 20 2HA GLY 20 -1.600 -2.292 -2.580 133 2HA GLY 20 1HA GLY 20 -0.798 -0.969 -3.492 134 H VAL 21 H VAL 21 -1.203 -1.154 -0.598 135 HA VAL 21 HA VAL 21 -3.298 0.721 -0.042 136 HB VAL 21 HB VAL 21 -1.267 -0.567 1.790 137 1HG1 VAL 21 1HG1 VAL 21 -2.254 1.551 2.736 138 2HG1 VAL 21 2HG1 VAL 21 -2.947 0.105 3.552 139 3HG1 VAL 21 3HG1 VAL 21 -3.908 0.973 2.304 140 1HG2 VAL 21 1HG2 VAL 21 -2.707 -2.299 0.715 141 2HG2 VAL 21 2HG2 VAL 21 -4.179 -1.311 1.067 142 3HG2 VAL 21 3HG2 VAL 21 -3.226 -2.029 2.411 143 H CYS 22 H CYS 22 -2.724 2.608 -1.039 144 HA CYS 22 HA CYS 22 -0.018 3.558 -0.724 145 1HB CYS 22 2HB CYS 22 -0.364 4.861 -2.651 146 2HB CYS 22 1HB CYS 22 -0.933 3.204 -2.941 147 H MET 23 H MET 23 0.659 5.531 -0.075 148 HA MET 23 HA MET 23 -1.340 7.426 0.838 149 1HB MET 23 2HB MET 23 -0.149 7.719 3.023 150 2HB MET 23 1HB MET 23 -1.089 6.221 2.827 151 1HG MET 23 2HG MET 23 1.009 4.951 2.284 152 2HG MET 23 1HG MET 23 1.968 6.421 2.620 153 1HE MET 23 1HE MET 23 1.487 7.831 4.829 154 2HE MET 23 2HE MET 23 3.019 6.890 4.784 155 3HE MET 23 3HE MET 23 2.039 6.939 6.291 156 H TYR 24 H TYR 24 -0.910 9.071 -0.422 157 HA TYR 24 HA TYR 24 1.837 9.988 -0.689 158 1HB TYR 24 2HB TYR 24 0.133 9.641 -2.684 159 2HB TYR 24 1HB TYR 24 -0.628 11.164 -2.101 160 HD1 TYR 24 1HD TYR 24 1.055 13.151 -1.766 161 HD2 TYR 24 2HD TYR 24 1.726 9.744 -4.220 162 HE1 TYR 24 1HE TYR 24 2.722 14.393 -3.009 163 HE2 TYR 24 2HE TYR 24 3.388 10.962 -5.483 164 HH TYR 24 HH TYR 24 4.034 14.415 -4.826 165 H ILE 25 H ILE 25 2.590 11.616 0.643 166 HA ILE 25 HA ILE 25 0.533 13.313 1.882 167 HB ILE 25 HB ILE 25 3.365 12.667 2.745 168 1HG1 ILE 25 2HG1 ILE 25 2.044 10.646 3.028 169 2HG1 ILE 25 1HG1 ILE 25 2.395 11.415 4.593 170 1HG2 ILE 25 1HG2 ILE 25 2.583 13.832 4.850 171 2HG2 ILE 25 2HG2 ILE 25 1.040 14.262 4.010 172 3HG2 ILE 25 3HG2 ILE 25 2.615 14.920 3.407 173 1HD1 ILE 25 1HD1 ILE 25 0.061 12.328 4.710 174 2HD1 ILE 25 2HD1 ILE 25 0.071 10.537 4.513 175 3HD1 ILE 25 3HD1 ILE 25 -0.312 11.584 3.105 176 H GLU 26 H GLU 26 0.323 14.954 0.431 177 HA GLU 26 HA GLU 26 2.422 15.872 -1.160 178 1HB GLU 26 2HB GLU 26 -0.233 17.167 -0.424 179 2HB GLU 26 1HB GLU 26 0.904 17.763 -1.682 180 1HG GLU 26 2HG GLU 26 0.617 15.618 -2.964 181 2HG GLU 26 1HG GLU 26 -0.622 15.082 -1.764 182 H ALA 27 H ALA 27 1.411 16.872 2.064 183 HA ALA 27 HA ALA 27 2.719 19.291 2.180 184 1HB ALA 27 1HB ALA 27 2.423 17.181 4.411 185 2HB ALA 27 2HB ALA 27 1.154 18.368 3.928 186 3HB ALA 27 3HB ALA 27 2.708 18.945 4.628 187 H LEU 28 H LEU 28 4.001 16.048 2.789 188 HA LEU 28 HA LEU 28 6.619 17.109 3.403 189 1HB LEU 28 2HB LEU 28 5.613 14.218 3.198 190 2HB LEU 28 1HB LEU 28 7.188 14.750 3.869 191 HG LEU 28 HG LEU 28 4.401 15.340 5.029 192 1HD1 LEU 28 1HD1 LEU 28 6.727 13.570 6.019 193 2HD1 LEU 28 2HD1 LEU 28 5.147 12.998 5.353 194 3HD1 LEU 28 3HD1 LEU 28 5.205 13.891 6.915 195 1HD2 LEU 28 1HD2 LEU 28 7.191 16.270 5.958 196 2HD2 LEU 28 2HD2 LEU 28 5.736 16.227 7.020 197 3HD2 LEU 28 3HD2 LEU 28 5.740 17.277 5.556 198 H ASP 29 H ASP 29 4.893 15.659 0.761 199 HA ASP 29 HA ASP 29 5.227 15.683 -1.325 200 1HB ASP 29 2HB ASP 29 6.507 17.816 -0.784 201 2HB ASP 29 1HB ASP 29 8.011 16.872 -1.029 202 H LYS 30 H LYS 30 5.859 13.344 0.304 203 HA LYS 30 HA LYS 30 6.932 11.923 -1.945 204 1HB LYS 30 2HB LYS 30 8.624 10.821 -0.879 205 2HB LYS 30 1HB LYS 30 8.697 12.430 -0.113 206 1HG LYS 30 2HG LYS 30 7.588 9.834 1.072 207 2HG LYS 30 1HG LYS 30 9.053 10.761 1.556 208 1HD LYS 30 2HD LYS 30 7.339 12.690 2.059 209 2HD LYS 30 1HD LYS 30 6.106 11.393 1.974 210 1HE LYS 30 2HE LYS 30 8.547 11.499 3.906 211 2HE LYS 30 1HE LYS 30 6.836 11.873 4.348 212 1HZ LYS 30 1HZ LYS 30 6.271 9.556 3.785 213 2HZ LYS 30 2HZ LYS 30 7.434 9.672 5.006 214 3HZ LYS 30 3HZ LYS 30 7.881 9.224 3.453 215 H TYR 31 H TYR 31 6.677 9.413 -1.290 216 HA TYR 31 HA TYR 31 4.158 9.056 0.048 217 1HB TYR 31 2HB TYR 31 2.817 8.231 -1.631 218 2HB TYR 31 1HB TYR 31 3.577 9.705 -2.303 219 HD1 TYR 31 1HD TYR 31 3.028 6.225 -2.648 220 HD2 TYR 31 2HD TYR 31 5.520 9.412 -3.887 221 HE1 TYR 31 1HE TYR 31 3.596 4.965 -4.682 222 HE2 TYR 31 2HE TYR 31 6.137 8.155 -5.915 223 HH TYR 31 HH TYR 31 5.337 6.459 -7.312 224 H ALA 32 H ALA 32 3.427 6.802 0.206 225 HA ALA 32 HA ALA 32 5.536 4.857 -0.257 226 1HB ALA 32 1HB ALA 32 5.744 5.496 2.162 227 2HB ALA 32 2HB ALA 32 5.158 3.808 1.976 228 3HB ALA 32 3HB ALA 32 3.998 5.125 2.397 229 H CYS 33 H CYS 33 4.799 2.754 -0.557 230 HA CYS 33 HA CYS 33 1.881 2.368 -0.659 231 1HB CYS 33 2HB CYS 33 4.054 1.428 -2.585 232 2HB CYS 33 1HB CYS 33 2.573 0.454 -2.352 233 H ASN 34 H ASN 34 1.308 1.073 0.940 234 HA ASN 34 HA ASN 34 3.197 -0.923 1.947 235 1HB ASN 34 2HB ASN 34 0.523 0.138 3.023 236 2HB ASN 34 1HB ASN 34 1.515 -1.150 3.813 237 1HD2 ASN 34 1HD2 ASN 34 0.780 1.436 4.995 238 2HD2 ASN 34 2HD2 ASN 34 2.267 2.297 5.251 239 H CYS 35 H CYS 35 2.039 -3.071 2.551 240 HA CYS 35 HA CYS 35 0.091 -3.774 0.511 241 1HB CYS 35 2HB CYS 35 1.427 -5.578 -0.412 242 2HB CYS 35 1HB CYS 35 2.281 -4.027 -0.589 243 H VAL 36 H VAL 36 -0.377 -6.217 0.657 244 HA VAL 36 HA VAL 36 -1.527 -6.475 3.178 245 HB VAL 36 HB VAL 36 -1.389 -8.649 1.100 246 1HG1 VAL 36 1HG1 VAL 36 -2.611 -9.283 3.177 247 2HG1 VAL 36 2HG1 VAL 36 -3.778 -8.990 1.858 248 3HG1 VAL 36 3HG1 VAL 36 -3.550 -7.736 3.122 249 1HG2 VAL 36 1HG2 VAL 36 -3.431 -7.528 0.090 250 2HG2 VAL 36 2HG2 VAL 36 -1.911 -6.644 -0.215 251 3HG2 VAL 36 3HG2 VAL 36 -3.061 -6.060 1.062 252 H VAL 37 H VAL 37 -1.398 -8.168 4.665 253 HA VAL 37 HA VAL 37 1.172 -8.968 5.380 254 HB VAL 37 HB VAL 37 -0.462 -8.483 7.002 255 1HG1 VAL 37 1HG1 VAL 37 -2.535 -9.217 5.800 256 2HG1 VAL 37 2HG1 VAL 37 -2.409 -9.927 7.444 257 3HG1 VAL 37 3HG1 VAL 37 -2.033 -10.936 6.002 258 1HG2 VAL 37 1HG2 VAL 37 1.373 -10.155 7.537 259 2HG2 VAL 37 2HG2 VAL 37 0.228 -11.491 7.145 260 3HG2 VAL 37 3HG2 VAL 37 -0.125 -10.382 8.508 261 H GLY 38 H GLY 38 2.396 -10.658 4.953 262 1HA GLY 38 2HA GLY 38 3.038 -12.632 4.179 263 2HA GLY 38 1HA GLY 38 1.325 -13.167 4.155 264 H TYR 39 H TYR 39 2.493 -10.348 2.389 265 HA TYR 39 HA TYR 39 2.717 -11.967 -0.044 266 1HB TYR 39 2HB TYR 39 1.321 -9.249 0.254 267 2HB TYR 39 1HB TYR 39 1.888 -9.910 -1.326 268 HD1 TYR 39 1HD TYR 39 0.747 -11.647 -2.404 269 HD2 TYR 39 2HD TYR 39 -0.384 -10.545 1.530 270 HE1 TYR 39 1HE TYR 39 -1.327 -12.928 -2.649 271 HE2 TYR 39 2HE TYR 39 -2.462 -11.816 1.303 272 HH TYR 39 HH TYR 39 -3.152 -13.789 -1.519 273 H ILE 40 H ILE 40 4.552 -11.663 -1.118 274 HA ILE 40 HA ILE 40 6.507 -9.977 0.276 275 HB ILE 40 HB ILE 40 8.040 -11.912 0.262 276 1HG1 ILE 40 2HG1 ILE 40 5.508 -13.523 -0.431 277 2HG1 ILE 40 1HG1 ILE 40 6.865 -13.194 -1.559 278 1HG2 ILE 40 1HG2 ILE 40 7.091 -12.895 2.278 279 2HG2 ILE 40 2HG2 ILE 40 5.434 -12.346 1.838 280 3HG2 ILE 40 3HG2 ILE 40 6.709 -11.142 2.256 281 1HD1 ILE 40 1HD1 ILE 40 8.440 -14.400 -0.012 282 2HD1 ILE 40 2HD1 ILE 40 7.096 -15.447 -0.594 283 3HD1 ILE 40 3HD1 ILE 40 7.061 -14.784 1.082 284 H GLY 41 H GLY 41 8.725 -10.166 -0.817 285 1HA GLY 41 2HA GLY 41 9.919 -9.925 -2.715 286 2HA GLY 41 1HA GLY 41 8.425 -9.964 -3.715 287 H GLU 42 H GLU 42 10.217 -8.113 -4.326 288 HA GLU 42 HA GLU 42 10.497 -5.858 -2.905 289 1HB GLU 42 2HB GLU 42 10.690 -6.612 -5.796 290 2HB GLU 42 1HB GLU 42 10.637 -4.859 -5.478 291 1HG GLU 42 2HG GLU 42 12.968 -5.685 -5.602 292 2HG GLU 42 1HG GLU 42 12.573 -4.920 -4.029 293 H ARG 43 H ARG 43 7.925 -6.337 -5.288 294 HA ARG 43 HA ARG 43 6.554 -3.988 -4.151 295 1HB ARG 43 2HB ARG 43 5.408 -3.813 -6.355 296 2HB ARG 43 1HB ARG 43 7.159 -3.506 -6.371 297 1HG ARG 43 2HG ARG 43 7.579 -5.839 -7.248 298 2HG ARG 43 1HG ARG 43 5.801 -6.071 -7.341 299 1HD ARG 43 2HD ARG 43 5.690 -4.085 -8.926 300 2HD ARG 43 1HD ARG 43 7.489 -3.923 -8.821 301 HE ARG 43 HE ARG 43 7.014 -6.631 -9.494 302 1HH1 ARG 43 1HH1 ARG 43 6.245 -3.470 -10.995 303 2HH1 ARG 43 2HH1 ARG 43 6.612 -4.047 -12.568 304 1HH2 ARG 43 1HH2 ARG 43 7.342 -7.332 -11.691 305 2HH2 ARG 43 2HH2 ARG 43 6.904 -6.301 -12.998 306 H CYS 44 H CYS 44 6.613 -6.621 -3.020 307 HA CYS 44 HA CYS 44 5.391 -8.124 -2.138 308 1HB CYS 44 2HB CYS 44 3.108 -6.134 -2.245 309 2HB CYS 44 1HB CYS 44 3.343 -7.468 -1.071 310 H GLN 45 H GLN 45 5.385 -8.783 -4.844 311 HA GLN 45 HA GLN 45 2.632 -9.178 -5.591 312 1HB GLN 45 2HB GLN 45 3.667 -10.236 -7.653 313 2HB GLN 45 1HB GLN 45 3.809 -8.475 -7.369 314 1HG GLN 45 2HG GLN 45 6.185 -8.831 -6.501 315 2HG GLN 45 1HG GLN 45 6.042 -10.560 -6.972 316 1HE2 GLN 45 1HE2 GLN 45 4.649 -10.319 -9.463 317 2HE2 GLN 45 2HE2 GLN 45 5.664 -9.440 -10.564 318 H TYR 46 H TYR 46 5.174 -11.328 -4.290 319 HA TYR 46 HA TYR 46 3.661 -13.607 -5.216 320 1HB TYR 46 2HB TYR 46 6.076 -13.722 -3.375 321 2HB TYR 46 1HB TYR 46 5.488 -14.970 -4.518 322 HD1 TYR 46 1HD TYR 46 5.239 -13.529 -7.067 323 HD2 TYR 46 2HD TYR 46 8.112 -13.121 -3.959 324 HE1 TYR 46 1HE TYR 46 6.914 -12.841 -8.703 325 HE2 TYR 46 2HE TYR 46 9.769 -12.367 -5.579 326 HH TYR 46 HH TYR 46 10.200 -11.903 -7.697 327 H ARG 47 H ARG 47 3.149 -15.426 -3.620 328 HA ARG 47 HA ARG 47 1.971 -14.138 -1.257 329 1HB ARG 47 2HB ARG 47 0.318 -15.927 -1.272 330 2HB ARG 47 1HB ARG 47 0.281 -14.913 -2.736 331 1HG ARG 47 2HG ARG 47 1.414 -16.639 -4.061 332 2HG ARG 47 1HG ARG 47 1.659 -17.660 -2.609 333 1HD ARG 47 2HD ARG 47 -0.807 -17.940 -2.347 334 2HD ARG 47 1HD ARG 47 -1.100 -16.895 -3.783 335 HE ARG 47 HE ARG 47 0.427 -19.533 -3.798 336 1HH1 ARG 47 1HH1 ARG 47 -1.188 -16.946 -5.731 337 2HH1 ARG 47 2HH1 ARG 47 -1.128 -17.870 -7.166 338 1HH2 ARG 47 1HH2 ARG 47 0.294 -20.772 -5.730 339 2HH2 ARG 47 2HH2 ARG 47 -0.277 -20.058 -7.181 340 H ASP 48 H ASP 48 2.351 -14.801 0.759 341 HA ASP 48 HA ASP 48 4.058 -17.139 1.152 342 1HB ASP 48 2HB ASP 48 4.742 -14.781 1.933 343 2HB ASP 48 1HB ASP 48 3.348 -14.837 3.061 344 H LEU 49 H LEU 49 2.752 -18.907 1.353 345 HA LEU 49 HA LEU 49 0.084 -18.536 2.292 346 1HB LEU 49 2HB LEU 49 0.956 -19.840 0.259 347 2HB LEU 49 1HB LEU 49 1.446 -21.111 1.401 348 HG LEU 49 HG LEU 49 -0.984 -21.342 2.093 349 1HD1 LEU 49 1HD1 LEU 49 -1.866 -19.066 1.583 350 2HD1 LEU 49 2HD1 LEU 49 -2.747 -20.308 0.621 351 3HD1 LEU 49 3HD1 LEU 49 -1.486 -19.289 -0.164 352 1HD2 LEU 49 1HD2 LEU 49 -0.001 -22.793 0.322 353 2HD2 LEU 49 2HD2 LEU 49 -0.418 -21.566 -0.933 354 3HD2 LEU 49 3HD2 LEU 49 -1.726 -22.413 -0.036 355 H LYS 50 H LYS 50 2.741 -18.797 4.103 356 HA LYS 50 HA LYS 50 2.203 -21.111 5.598 357 1HB LYS 50 2HB LYS 50 4.003 -18.719 6.224 358 2HB LYS 50 1HB LYS 50 4.056 -20.304 7.060 359 1HG LYS 50 2HG LYS 50 4.669 -19.791 4.094 360 2HG LYS 50 1HG LYS 50 5.869 -20.031 5.385 361 1HD LYS 50 2HD LYS 50 3.777 -22.116 4.514 362 2HD LYS 50 1HD LYS 50 5.466 -22.029 3.933 363 1HE LYS 50 2HE LYS 50 6.303 -22.377 6.296 364 2HE LYS 50 1HE LYS 50 4.587 -22.571 6.851 365 1HZ LYS 50 1HZ LYS 50 5.980 -24.199 4.789 366 2HZ LYS 50 2HZ LYS 50 4.364 -24.402 5.288 367 3HZ LYS 50 3HZ LYS 50 5.630 -24.702 6.363 368 H TRP 51 H TRP 51 1.321 -17.741 6.220 369 HA TRP 51 HA TRP 51 0.831 -18.307 8.959 370 1HB TRP 51 2HB TRP 51 0.200 -16.055 9.232 371 2HB TRP 51 1HB TRP 51 1.615 -16.114 8.140 372 HD1 TRP 51 HD TRP 51 1.251 -15.015 5.691 373 HE1 TRP 51 1HE TRP 51 -0.621 -13.429 4.818 374 HE3 TRP 51 3HE TRP 51 -2.259 -15.802 9.282 375 HZ2 TRP 51 2HZ TRP 51 -3.244 -12.806 5.453 376 HZ3 TRP 51 3HZ TRP 51 -4.424 -14.700 9.078 377 HH2 TRP 51 HH TRP 51 -4.923 -13.228 7.199 378 H TRP 52 H TRP 52 -1.173 -18.218 6.139 379 HA TRP 52 HA TRP 52 -3.683 -18.263 7.327 380 1HB TRP 52 2HB TRP 52 -2.765 -19.623 4.731 381 2HB TRP 52 1HB TRP 52 -4.457 -19.248 5.178 382 HD1 TRP 52 HD TRP 52 -1.368 -17.624 3.619 383 HE1 TRP 52 1HE TRP 52 -2.053 -15.319 2.733 384 HE3 TRP 52 3HE TRP 52 -5.887 -17.236 5.896 385 HZ2 TRP 52 2HZ TRP 52 -4.307 -13.620 2.889 386 HZ3 TRP 52 3HZ TRP 52 -7.236 -15.229 5.521 387 HH2 TRP 52 HH TRP 52 -6.468 -13.454 4.045 388 H GLU 53 H GLU 53 -1.502 -20.920 6.468 389 HA GLU 53 HA GLU 53 -3.386 -22.883 7.465 390 1HB GLU 53 2HB GLU 53 -2.137 -23.017 5.270 391 2HB GLU 53 1HB GLU 53 -0.644 -23.324 6.198 392 1HG GLU 53 2HG GLU 53 -1.639 -25.428 7.128 393 2HG GLU 53 1HG GLU 53 -3.233 -25.022 6.397 394 H LEU 54 H LEU 54 -2.974 -21.571 9.586 395 HA LEU 54 HA LEU 54 -1.533 -23.338 11.273 396 1HB LEU 54 2HB LEU 54 0.335 -21.857 10.566 397 2HB LEU 54 1HB LEU 54 -0.646 -20.423 10.945 398 HG LEU 54 HG LEU 54 -0.611 -21.036 13.374 399 1HD1 LEU 54 1HD1 LEU 54 1.250 -23.343 12.491 400 2HD1 LEU 54 2HD1 LEU 54 -0.395 -23.521 13.212 401 3HD1 LEU 54 3HD1 LEU 54 0.939 -22.817 14.193 402 1HD2 LEU 54 1HD2 LEU 54 1.131 -19.523 12.429 403 2HD2 LEU 54 2HD2 LEU 54 2.174 -20.943 12.042 404 3HD2 LEU 54 3HD2 LEU 54 1.808 -20.537 13.761 Start of MODEL 5 1 1H VAL 1 1HT VAL 1 6.615 19.577 6.689 2 2H VAL 1 2HT VAL 1 6.890 21.106 7.302 3 3H VAL 1 3HT VAL 1 5.542 20.838 6.340 4 HA VAL 1 HA VAL 1 6.126 19.573 8.941 5 HB VAL 1 HB VAL 1 4.308 20.905 9.942 6 1HG1 VAL 1 1HG1 VAL 1 5.627 22.873 10.304 7 2HG1 VAL 1 2HG1 VAL 1 6.535 22.667 8.782 8 3HG1 VAL 1 3HG1 VAL 1 6.772 21.498 10.149 9 1HG2 VAL 1 1HG2 VAL 1 3.518 22.936 8.809 10 2HG2 VAL 1 2HG2 VAL 1 3.070 21.514 7.812 11 3HG2 VAL 1 3HG2 VAL 1 4.461 22.564 7.334 12 H VAL 2 H VAL 2 4.567 18.287 9.984 13 HA VAL 2 HA VAL 2 2.716 16.986 8.216 14 HB VAL 2 HB VAL 2 3.509 16.492 11.098 15 1HG1 VAL 2 1HG1 VAL 2 1.768 14.859 9.127 16 2HG1 VAL 2 2HG1 VAL 2 1.228 15.577 10.699 17 3HG1 VAL 2 3HG1 VAL 2 2.423 14.243 10.685 18 1HG2 VAL 2 1HG2 VAL 2 5.381 16.105 9.446 19 2HG2 VAL 2 2HG2 VAL 2 4.280 15.048 8.480 20 3HG2 VAL 2 3HG2 VAL 2 4.765 14.575 10.146 21 H SER 3 H SER 3 0.600 17.630 8.099 22 HA SER 3 HA SER 3 -0.626 18.171 10.731 23 1HB SER 3 2HB SER 3 -1.584 19.455 8.108 24 2HB SER 3 1HB SER 3 -2.334 19.632 9.731 25 HG SER 3 HG SER 3 -0.347 20.616 10.381 26 H HIS 4 H HIS 4 -1.404 17.288 7.304 27 HA HIS 4 HA HIS 4 -3.174 15.219 8.425 28 1HB HIS 4 2HB HIS 4 -4.377 17.252 7.497 29 2HB HIS 4 1HB HIS 4 -3.596 16.942 5.922 30 HD1 HIS 4 1HD HIS 4 -5.449 16.044 4.494 31 HD2 HIS 4 2HD HIS 4 -5.620 14.391 8.349 32 HE1 HIS 4 1HE HIS 4 -7.211 14.247 4.445 33 HE2 HIS 4 2HE HIS 4 -7.296 13.286 6.775 34 H PHE 5 H PHE 5 -3.281 13.205 7.289 35 HA PHE 5 HA PHE 5 -1.272 12.930 5.171 36 1HB PHE 5 2HB PHE 5 -2.439 10.954 7.192 37 2HB PHE 5 1HB PHE 5 -1.662 10.390 5.669 38 HD1 PHE 5 1HD PHE 5 -1.066 11.856 8.950 39 HD2 PHE 5 2HD PHE 5 0.633 10.926 5.175 40 HE1 PHE 5 1HE PHE 5 1.183 12.152 9.889 41 HE2 PHE 5 2HE PHE 5 2.872 11.230 6.089 42 HZ PHE 5 HZ PHE 5 3.158 11.863 8.457 43 H ASN 6 H ASN 6 -1.778 11.842 3.289 44 HA ASN 6 HA ASN 6 -4.590 12.236 2.554 45 1HB ASN 6 2HB ASN 6 -1.983 12.170 0.918 46 2HB ASN 6 1HB ASN 6 -3.622 12.318 0.191 47 1HD2 ASN 6 1HD2 ASN 6 -4.661 14.333 0.206 48 2HD2 ASN 6 2HD2 ASN 6 -4.043 15.733 1.000 49 H ASP 7 H ASP 7 -5.324 10.772 0.749 50 HA ASP 7 HA ASP 7 -4.350 8.027 1.089 51 1HB ASP 7 2HB ASP 7 -7.269 9.006 0.870 52 2HB ASP 7 1HB ASP 7 -6.745 7.294 1.067 53 H CYS 8 H CYS 8 -5.340 6.662 -0.810 54 HA CYS 8 HA CYS 8 -5.707 8.359 -3.188 55 1HB CYS 8 2HB CYS 8 -4.982 6.461 -4.545 56 2HB CYS 8 1HB CYS 8 -3.727 7.156 -3.485 57 HA PRO 9 HA PRO 9 -9.564 6.127 -2.425 58 1HB PRO 9 2HB PRO 9 -11.408 8.166 -2.766 59 2HB PRO 9 1HB PRO 9 -10.514 7.866 -1.232 60 1HG PRO 9 2HG PRO 9 -9.810 9.923 -3.401 61 2HG PRO 9 1HG PRO 9 -9.907 10.154 -1.610 62 1HD PRO 9 2HD PRO 9 -7.494 9.629 -2.903 63 2HD PRO 9 1HD PRO 9 -7.867 8.984 -1.243 64 H LEU 10 H LEU 10 -9.514 8.716 -4.860 65 HA LEU 10 HA LEU 10 -10.974 7.180 -6.729 66 1HB LEU 10 2HB LEU 10 -10.745 9.156 -8.211 67 2HB LEU 10 1HB LEU 10 -11.422 9.457 -6.596 68 HG LEU 10 HG LEU 10 -8.796 10.057 -6.058 69 1HD1 LEU 10 1HD1 LEU 10 -8.084 9.767 -8.481 70 2HD1 LEU 10 2HD1 LEU 10 -7.901 11.457 -7.881 71 3HD1 LEU 10 3HD1 LEU 10 -9.288 11.040 -8.940 72 1HD2 LEU 10 1HD2 LEU 10 -10.962 11.922 -7.209 73 2HD2 LEU 10 2HD2 LEU 10 -9.516 12.438 -6.274 74 3HD2 LEU 10 3HD2 LEU 10 -10.782 11.428 -5.486 75 H SER 11 H SER 11 -7.515 7.969 -6.533 76 HA SER 11 HA SER 11 -7.070 6.761 -9.104 77 1HB SER 11 2HB SER 11 -5.760 8.746 -8.279 78 2HB SER 11 1HB SER 11 -5.021 7.687 -7.040 79 HG SER 11 HG SER 11 -3.648 7.397 -8.577 80 H HIS 12 H HIS 12 -6.164 4.838 -9.575 81 HA HIS 12 HA HIS 12 -5.358 3.076 -7.357 82 1HB HIS 12 2HB HIS 12 -7.146 2.134 -8.722 83 2HB HIS 12 1HB HIS 12 -6.278 2.518 -10.226 84 HD1 HIS 12 1HD HIS 12 -4.397 0.895 -10.950 85 HD2 HIS 12 2HD HIS 12 -6.249 -0.221 -7.348 86 HE1 HIS 12 1HE HIS 12 -3.715 -1.461 -10.493 87 HE2 HIS 12 2HE HIS 12 -4.843 -2.142 -8.361 88 H ASP 13 H ASP 13 -3.202 2.560 -7.205 89 HA ASP 13 HA ASP 13 -1.455 3.743 -9.191 90 1HB ASP 13 2HB ASP 13 -1.128 4.122 -6.693 91 2HB ASP 13 1HB ASP 13 -0.610 2.408 -6.578 92 H GLY 14 H GLY 14 0.221 2.630 -10.112 93 1HA GLY 14 2HA GLY 14 -0.707 0.040 -11.087 94 2HA GLY 14 1HA GLY 14 0.386 1.208 -11.888 95 H TYR 15 H TYR 15 1.914 1.239 -9.160 96 HA TYR 15 HA TYR 15 3.744 -0.799 -9.957 97 1HB TYR 15 2HB TYR 15 4.505 1.422 -9.124 98 2HB TYR 15 1HB TYR 15 3.779 1.079 -7.524 99 HD1 TYR 15 1HD TYR 15 4.986 -0.159 -5.955 100 HD2 TYR 15 2HD TYR 15 6.267 -0.166 -10.004 101 HE1 TYR 15 1HE TYR 15 6.974 -1.422 -5.314 102 HE2 TYR 15 2HE TYR 15 8.273 -1.423 -9.364 103 HH TYR 15 HH TYR 15 9.070 -2.049 -5.997 104 H CYS 16 H CYS 16 1.684 -0.287 -7.061 105 HA CYS 16 HA CYS 16 2.547 -2.830 -5.992 106 1HB CYS 16 2HB CYS 16 0.429 -0.845 -4.991 107 2HB CYS 16 1HB CYS 16 1.043 -2.266 -4.092 108 H LEU 17 H LEU 17 1.366 -4.732 -5.989 109 HA LEU 17 HA LEU 17 -1.016 -4.713 -7.641 110 1HB LEU 17 2HB LEU 17 0.614 -6.978 -6.395 111 2HB LEU 17 1HB LEU 17 -0.859 -7.218 -7.377 112 HG LEU 17 HG LEU 17 0.882 -7.705 -8.782 113 1HD1 LEU 17 1HD1 LEU 17 -0.879 -6.252 -9.838 114 2HD1 LEU 17 2HD1 LEU 17 0.725 -6.120 -10.645 115 3HD1 LEU 17 3HD1 LEU 17 0.171 -4.807 -9.554 116 1HD2 LEU 17 1HD2 LEU 17 2.762 -6.657 -7.494 117 2HD2 LEU 17 2HD2 LEU 17 2.340 -5.057 -8.206 118 3HD2 LEU 17 3HD2 LEU 17 2.863 -6.400 -9.283 119 H HIS 18 H HIS 18 -2.801 -6.189 -6.972 120 HA HIS 18 HA HIS 18 -4.401 -6.797 -5.699 121 1HB HIS 18 2HB HIS 18 -2.265 -7.837 -4.617 122 2HB HIS 18 1HB HIS 18 -2.625 -6.798 -3.222 123 HD1 HIS 18 1HD HIS 18 -2.642 -9.918 -3.532 124 HD2 HIS 18 2HD HIS 18 -6.073 -7.533 -3.353 125 HE1 HIS 18 1HE HIS 18 -4.554 -11.420 -2.753 126 HE2 HIS 18 2HE HIS 18 -6.575 -9.932 -2.583 127 H ASP 19 H ASP 19 -4.102 -3.989 -6.009 128 HA ASP 19 HA ASP 19 -4.716 -2.081 -5.393 129 1HB ASP 19 2HB ASP 19 -6.842 -3.670 -5.498 130 2HB ASP 19 1HB ASP 19 -7.057 -3.158 -3.792 131 H GLY 20 H GLY 20 -2.868 -1.572 -4.290 132 1HA GLY 20 2HA GLY 20 -2.736 -1.983 -1.454 133 2HA GLY 20 1HA GLY 20 -1.521 -1.232 -2.552 134 H VAL 21 H VAL 21 -1.900 -0.203 0.017 135 HA VAL 21 HA VAL 21 -3.692 2.033 -0.296 136 HB VAL 21 HB VAL 21 -2.063 1.117 2.073 137 1HG1 VAL 21 1HG1 VAL 21 -4.322 3.225 1.760 138 2HG1 VAL 21 2HG1 VAL 21 -2.598 3.588 2.148 139 3HG1 VAL 21 3HG1 VAL 21 -3.604 2.673 3.314 140 1HG2 VAL 21 1HG2 VAL 21 -3.790 -0.565 1.463 141 2HG2 VAL 21 2HG2 VAL 21 -5.027 0.736 1.278 142 3HG2 VAL 21 3HG2 VAL 21 -4.338 0.366 2.896 143 H CYS 22 H CYS 22 -2.757 3.405 -1.732 144 HA CYS 22 HA CYS 22 -0.029 4.221 -1.446 145 1HB CYS 22 2HB CYS 22 -0.887 5.691 -3.513 146 2HB CYS 22 1HB CYS 22 -0.448 3.975 -3.629 147 H MET 23 H MET 23 0.759 6.171 -0.794 148 HA MET 23 HA MET 23 -1.030 8.375 -1.049 149 1HB MET 23 2HB MET 23 -0.795 9.366 1.125 150 2HB MET 23 1HB MET 23 -1.574 7.774 1.251 151 1HG MET 23 2HG MET 23 0.544 6.757 2.058 152 2HG MET 23 1HG MET 23 1.385 8.324 1.885 153 1HE MET 23 1HE MET 23 1.585 6.728 4.472 154 2HE MET 23 2HE MET 23 1.470 8.100 5.625 155 3HE MET 23 3HE MET 23 2.335 8.311 4.070 156 H TYR 24 H TYR 24 0.004 9.911 -2.115 157 HA TYR 24 HA TYR 24 2.786 10.446 -1.451 158 1HB TYR 24 2HB TYR 24 1.660 10.344 -3.886 159 2HB TYR 24 1HB TYR 24 1.139 12.023 -3.502 160 HD1 TYR 24 1HD TYR 24 3.543 10.042 -4.943 161 HD2 TYR 24 2HD TYR 24 3.146 13.539 -2.547 162 HE1 TYR 24 1HE TYR 24 5.711 10.772 -5.685 163 HE2 TYR 24 2HE TYR 24 5.343 14.283 -3.258 164 HH TYR 24 HH TYR 24 7.206 12.453 -5.694 165 H ILE 25 H ILE 25 3.278 11.975 0.087 166 HA ILE 25 HA ILE 25 1.240 13.982 0.633 167 HB ILE 25 HB ILE 25 2.581 14.294 2.756 168 1HG1 ILE 25 2HG1 ILE 25 4.343 12.526 2.155 169 2HG1 ILE 25 1HG1 ILE 25 3.618 12.548 3.780 170 1HG2 ILE 25 1HG2 ILE 25 0.965 12.787 3.881 171 2HG2 ILE 25 2HG2 ILE 25 0.559 12.030 2.287 172 3HG2 ILE 25 3HG2 ILE 25 0.206 13.776 2.586 173 1HD1 ILE 25 1HD1 ILE 25 2.173 10.610 3.280 174 2HD1 ILE 25 2HD1 ILE 25 3.901 10.227 2.974 175 3HD1 ILE 25 3HD1 ILE 25 2.795 10.542 1.594 176 H GLU 26 H GLU 26 1.647 15.688 -0.485 177 HA GLU 26 HA GLU 26 4.036 16.228 -1.717 178 1HB GLU 26 2HB GLU 26 1.846 16.829 -2.532 179 2HB GLU 26 1HB GLU 26 1.565 17.946 -1.184 180 1HG GLU 26 2HG GLU 26 3.899 18.324 -3.182 181 2HG GLU 26 1HG GLU 26 2.231 18.868 -3.546 182 H ALA 27 H ALA 27 2.732 17.764 1.249 183 HA ALA 27 HA ALA 27 4.666 19.757 1.339 184 1HB ALA 27 1HB ALA 27 2.966 18.499 3.579 185 2HB ALA 27 2HB ALA 27 2.478 19.874 2.523 186 3HB ALA 27 3HB ALA 27 3.826 20.081 3.690 187 H LEU 28 H LEU 28 4.764 16.439 2.481 188 HA LEU 28 HA LEU 28 7.183 16.946 4.003 189 1HB LEU 28 2HB LEU 28 5.961 14.227 3.323 190 2HB LEU 28 1HB LEU 28 7.135 14.634 4.605 191 HG LEU 28 HG LEU 28 4.150 15.245 4.471 192 1HD1 LEU 28 1HD1 LEU 28 5.905 13.834 6.582 193 2HD1 LEU 28 2HD1 LEU 28 4.997 12.975 5.295 194 3HD1 LEU 28 3HD1 LEU 28 4.104 13.907 6.556 195 1HD2 LEU 28 1HD2 LEU 28 4.333 16.403 6.662 196 2HD2 LEU 28 2HD2 LEU 28 5.168 17.339 5.378 197 3HD2 LEU 28 3HD2 LEU 28 6.131 16.358 6.556 198 H ASP 29 H ASP 29 6.187 16.028 0.859 199 HA ASP 29 HA ASP 29 7.126 15.638 -1.002 200 1HB ASP 29 2HB ASP 29 8.839 17.302 -0.173 201 2HB ASP 29 1HB ASP 29 9.882 15.912 0.280 202 H LYS 30 H LYS 30 6.482 13.547 0.972 203 HA LYS 30 HA LYS 30 8.275 11.401 0.061 204 1HB LYS 30 2HB LYS 30 6.727 11.533 2.694 205 2HB LYS 30 1HB LYS 30 7.879 10.264 2.186 206 1HG LYS 30 2HG LYS 30 8.489 13.170 2.933 207 2HG LYS 30 1HG LYS 30 8.923 11.688 3.827 208 1HD LYS 30 2HD LYS 30 10.401 10.996 1.892 209 2HD LYS 30 1HD LYS 30 9.968 12.506 1.049 210 1HE LYS 30 2HE LYS 30 10.889 13.847 3.036 211 2HE LYS 30 1HE LYS 30 11.543 12.297 3.696 212 1HZ LYS 30 1HZ LYS 30 12.186 13.561 1.073 213 2HZ LYS 30 2HZ LYS 30 12.702 12.044 1.501 214 3HZ LYS 30 3HZ LYS 30 13.213 13.407 2.396 215 H TYR 31 H TYR 31 7.423 9.303 -0.165 216 HA TYR 31 HA TYR 31 4.563 9.106 0.063 217 1HB TYR 31 2HB TYR 31 3.917 8.427 -2.046 218 2HB TYR 31 1HB TYR 31 4.836 9.949 -2.215 219 HD1 TYR 31 1HD TYR 31 7.455 9.542 -2.655 220 HD2 TYR 31 2HD TYR 31 4.259 6.944 -3.634 221 HE1 TYR 31 1HE TYR 31 8.747 8.685 -4.570 222 HE2 TYR 31 2HE TYR 31 5.469 6.131 -5.571 223 HH TYR 31 HH TYR 31 7.427 6.219 -6.750 224 H ALA 32 H ALA 32 3.596 6.982 -0.098 225 HA ALA 32 HA ALA 32 5.448 4.787 0.157 226 1HB ALA 32 1HB ALA 32 5.371 5.719 2.488 227 2HB ALA 32 2HB ALA 32 4.594 4.100 2.409 228 3HB ALA 32 3HB ALA 32 3.581 5.594 2.468 229 H CYS 33 H CYS 33 4.484 2.732 0.183 230 HA CYS 33 HA CYS 33 1.649 2.617 -0.543 231 1HB CYS 33 2HB CYS 33 3.137 2.265 -2.534 232 2HB CYS 33 1HB CYS 33 3.949 0.936 -1.674 233 H ASN 34 H ASN 34 0.655 1.700 1.185 234 HA ASN 34 HA ASN 34 2.213 -0.147 2.827 235 1HB ASN 34 2HB ASN 34 1.156 1.948 3.824 236 2HB ASN 34 1HB ASN 34 -0.449 1.232 3.475 237 1HD2 ASN 34 1HD2 ASN 34 2.734 0.319 5.049 238 2HD2 ASN 34 2HD2 ASN 34 1.992 -0.569 6.346 239 H CYS 35 H CYS 35 1.471 -2.219 3.345 240 HA CYS 35 HA CYS 35 -0.472 -3.229 1.386 241 1HB CYS 35 2HB CYS 35 2.082 -3.512 1.026 242 2HB CYS 35 1HB CYS 35 2.026 -4.692 2.361 243 H VAL 36 H VAL 36 -1.541 -5.165 1.877 244 HA VAL 36 HA VAL 36 -2.403 -5.387 4.558 245 HB VAL 36 HB VAL 36 -2.994 -6.781 1.964 246 1HG1 VAL 36 1HG1 VAL 36 -4.507 -7.214 4.622 247 2HG1 VAL 36 2HG1 VAL 36 -3.654 -8.472 3.620 248 3HG1 VAL 36 3HG1 VAL 36 -5.100 -7.637 2.983 249 1HG2 VAL 36 1HG2 VAL 36 -4.574 -4.811 3.758 250 2HG2 VAL 36 2HG2 VAL 36 -5.098 -5.440 2.161 251 3HG2 VAL 36 3HG2 VAL 36 -3.685 -4.337 2.266 252 H VAL 37 H VAL 37 -2.739 -7.635 5.460 253 HA VAL 37 HA VAL 37 -0.205 -8.554 6.269 254 HB VAL 37 HB VAL 37 -2.962 -9.682 6.835 255 1HG1 VAL 37 1HG1 VAL 37 -1.128 -11.277 7.471 256 2HG1 VAL 37 2HG1 VAL 37 -1.839 -10.517 8.925 257 3HG1 VAL 37 3HG1 VAL 37 -0.253 -9.937 8.319 258 1HG2 VAL 37 1HG2 VAL 37 -2.902 -7.277 7.477 259 2HG2 VAL 37 2HG2 VAL 37 -1.291 -7.512 8.261 260 3HG2 VAL 37 3HG2 VAL 37 -2.758 -8.295 8.941 261 H GLY 38 H GLY 38 0.975 -10.195 5.575 262 1HA GLY 38 2HA GLY 38 1.405 -12.286 4.909 263 2HA GLY 38 1HA GLY 38 -0.299 -12.484 4.386 264 H TYR 39 H TYR 39 1.399 -9.739 3.160 265 HA TYR 39 HA TYR 39 1.897 -11.137 0.621 266 1HB TYR 39 2HB TYR 39 0.981 -8.240 1.155 267 2HB TYR 39 1HB TYR 39 1.470 -8.883 -0.459 268 HD1 TYR 39 1HD TYR 39 0.289 -10.979 -1.285 269 HD2 TYR 39 2HD TYR 39 -1.237 -8.524 1.829 270 HE1 TYR 39 1HE TYR 39 -1.942 -11.907 -1.652 271 HE2 TYR 39 2HE TYR 39 -3.469 -9.441 1.467 272 HH TYR 39 HH TYR 39 -4.755 -10.602 0.030 273 H ILE 40 H ILE 40 3.899 -11.000 -0.196 274 HA ILE 40 HA ILE 40 5.789 -9.161 1.082 275 HB ILE 40 HB ILE 40 7.476 -11.018 0.924 276 1HG1 ILE 40 2HG1 ILE 40 4.954 -12.783 0.837 277 2HG1 ILE 40 1HG1 ILE 40 6.006 -12.447 -0.579 278 1HG2 ILE 40 1HG2 ILE 40 6.501 -10.148 3.047 279 2HG2 ILE 40 2HG2 ILE 40 6.848 -11.909 3.128 280 3HG2 ILE 40 3HG2 ILE 40 5.149 -11.336 2.917 281 1HD1 ILE 40 1HD1 ILE 40 7.971 -13.447 0.680 282 2HD1 ILE 40 2HD1 ILE 40 6.632 -14.621 0.410 283 3HD1 ILE 40 3HD1 ILE 40 6.856 -13.871 2.029 284 H GLY 41 H GLY 41 7.771 -8.896 -0.156 285 1HA GLY 41 2HA GLY 41 8.885 -8.945 -2.174 286 2HA GLY 41 1HA GLY 41 7.335 -9.143 -3.055 287 H GLU 42 H GLU 42 8.935 -7.305 -4.007 288 HA GLU 42 HA GLU 42 9.186 -4.830 -2.806 289 1HB GLU 42 2HB GLU 42 9.049 -5.694 -5.754 290 2HB GLU 42 1HB GLU 42 9.585 -4.078 -5.237 291 1HG GLU 42 2HG GLU 42 10.991 -6.721 -4.502 292 2HG GLU 42 1HG GLU 42 11.449 -5.609 -5.833 293 H ARG 43 H ARG 43 6.808 -6.113 -5.031 294 HA ARG 43 HA ARG 43 5.168 -3.673 -4.829 295 1HB ARG 43 2HB ARG 43 4.338 -4.440 -7.085 296 2HB ARG 43 1HB ARG 43 6.057 -3.984 -7.014 297 1HG ARG 43 2HG ARG 43 6.720 -6.437 -6.900 298 2HG ARG 43 1HG ARG 43 4.992 -6.864 -7.003 299 1HD ARG 43 2HD ARG 43 5.979 -7.118 -9.186 300 2HD ARG 43 1HD ARG 43 4.901 -5.679 -9.268 301 HE ARG 43 HE ARG 43 7.929 -5.685 -9.050 302 1HH1 ARG 43 1HH1 ARG 43 5.059 -3.689 -9.786 303 2HH1 ARG 43 2HH1 ARG 43 5.762 -3.072 -11.259 304 1HH2 ARG 43 1HH2 ARG 43 8.893 -4.615 -10.838 305 2HH2 ARG 43 2HH2 ARG 43 8.102 -3.284 -11.578 306 H CYS 44 H CYS 44 5.223 -6.126 -3.011 307 HA CYS 44 HA CYS 44 3.986 -7.653 -2.152 308 1HB CYS 44 2HB CYS 44 1.809 -5.663 -2.795 309 2HB CYS 44 1HB CYS 44 1.414 -7.240 -2.053 310 H GLN 45 H GLN 45 4.933 -8.872 -3.864 311 HA GLN 45 HA GLN 45 3.169 -9.603 -6.025 312 1HB GLN 45 2HB GLN 45 5.611 -8.850 -6.247 313 2HB GLN 45 1HB GLN 45 6.080 -10.333 -5.403 314 1HG GLN 45 2HG GLN 45 6.493 -10.713 -7.663 315 2HG GLN 45 1HG GLN 45 5.011 -11.680 -7.344 316 1HE2 GLN 45 1HE2 GLN 45 2.873 -10.205 -7.867 317 2HE2 GLN 45 2HE2 GLN 45 2.994 -9.353 -9.389 318 H TYR 46 H TYR 46 4.724 -11.178 -3.186 319 HA TYR 46 HA TYR 46 3.485 -13.691 -4.094 320 1HB TYR 46 2HB TYR 46 5.773 -13.697 -2.118 321 2HB TYR 46 1HB TYR 46 5.220 -14.969 -3.249 322 HD1 TYR 46 1HD TYR 46 5.479 -14.417 -5.779 323 HD2 TYR 46 2HD TYR 46 7.508 -12.339 -2.673 324 HE1 TYR 46 1HE TYR 46 7.145 -13.663 -7.384 325 HE2 TYR 46 2HE TYR 46 9.178 -11.567 -4.273 326 HH TYR 46 HH TYR 46 9.008 -12.477 -7.713 327 H ARG 47 H ARG 47 2.968 -15.216 -2.358 328 HA ARG 47 HA ARG 47 1.685 -13.830 -0.122 329 1HB ARG 47 2HB ARG 47 0.383 -16.039 0.009 330 2HB ARG 47 1HB ARG 47 0.032 -14.949 -1.359 331 1HG ARG 47 2HG ARG 47 1.366 -16.262 -2.914 332 2HG ARG 47 1HG ARG 47 1.952 -17.330 -1.594 333 1HD ARG 47 2HD ARG 47 -0.364 -18.185 -1.250 334 2HD ARG 47 1HD ARG 47 -0.980 -17.081 -2.552 335 HE ARG 47 HE ARG 47 1.274 -18.620 -3.551 336 1HH1 ARG 47 1HH1 ARG 47 -1.940 -19.476 -2.192 337 2HH1 ARG 47 2HH1 ARG 47 -2.040 -20.870 -3.246 338 1HH2 ARG 47 1HH2 ARG 47 0.801 -20.331 -5.125 339 2HH2 ARG 47 2HH2 ARG 47 -0.525 -21.383 -4.746 340 H ASP 48 H ASP 48 2.175 -14.350 1.948 341 HA ASP 48 HA ASP 48 4.567 -15.924 2.320 342 1HB ASP 48 2HB ASP 48 4.111 -13.565 3.247 343 2HB ASP 48 1HB ASP 48 2.943 -14.326 4.376 344 H LEU 49 H LEU 49 4.421 -18.087 2.761 345 HA LEU 49 HA LEU 49 1.741 -19.031 2.796 346 1HB LEU 49 2HB LEU 49 4.417 -20.435 2.431 347 2HB LEU 49 1HB LEU 49 2.832 -21.240 2.243 348 HG LEU 49 HG LEU 49 3.744 -18.856 0.549 349 1HD1 LEU 49 1HD1 LEU 49 3.719 -21.883 -0.067 350 2HD1 LEU 49 2HD1 LEU 49 5.171 -20.847 0.191 351 3HD1 LEU 49 3HD1 LEU 49 4.112 -20.557 -1.237 352 1HD2 LEU 49 1HD2 LEU 49 1.275 -18.997 0.618 353 2HD2 LEU 49 2HD2 LEU 49 1.332 -20.781 0.313 354 3HD2 LEU 49 3HD2 LEU 49 1.868 -19.620 -0.959 355 H LYS 50 H LYS 50 2.878 -18.141 5.476 356 HA LYS 50 HA LYS 50 3.565 -20.435 6.879 357 1HB LYS 50 2HB LYS 50 2.860 -17.604 7.639 358 2HB LYS 50 1HB LYS 50 2.978 -18.845 8.930 359 1HG LYS 50 2HG LYS 50 5.044 -17.641 8.713 360 2HG LYS 50 1HG LYS 50 5.278 -19.369 8.326 361 1HD LYS 50 2HD LYS 50 5.370 -18.883 5.916 362 2HD LYS 50 1HD LYS 50 4.904 -17.169 6.206 363 1HE LYS 50 2HE LYS 50 7.020 -16.743 7.391 364 2HE LYS 50 1HE LYS 50 7.514 -18.484 7.207 365 1HZ LYS 50 1HZ LYS 50 6.935 -16.590 4.974 366 2HZ LYS 50 2HZ LYS 50 7.428 -18.187 4.792 367 3HZ LYS 50 3HZ LYS 50 8.476 -17.052 5.494 368 H TRP 51 H TRP 51 0.397 -18.852 6.709 369 HA TRP 51 HA TRP 51 -0.807 -21.080 8.142 370 1HB TRP 51 2HB TRP 51 -2.912 -19.694 7.847 371 2HB TRP 51 1HB TRP 51 -1.611 -18.937 8.821 372 HD1 TRP 51 HD TRP 51 -3.300 -18.529 5.327 373 HE1 TRP 51 1HE TRP 51 -2.135 -16.605 4.118 374 HE3 TRP 51 3HE TRP 51 0.063 -17.221 8.906 375 HZ2 TRP 51 2HZ TRP 51 -0.278 -14.589 4.714 376 HZ3 TRP 51 3HZ TRP 51 1.515 -15.294 8.511 377 HH2 TRP 51 HH TRP 51 1.366 -13.996 6.467 378 H TRP 52 H TRP 52 -0.473 -19.826 4.879 379 HA TRP 52 HA TRP 52 -2.554 -21.326 3.769 380 1HB TRP 52 2HB TRP 52 0.002 -20.304 2.423 381 2HB TRP 52 1HB TRP 52 -1.439 -20.922 1.564 382 HD1 TRP 52 HD TRP 52 0.017 -17.712 2.126 383 HE1 TRP 52 1HE TRP 52 -1.759 -15.871 1.840 384 HE3 TRP 52 3HE TRP 52 -4.177 -20.566 2.565 385 HZ2 TRP 52 2HZ TRP 52 -4.560 -15.672 1.859 386 HZ3 TRP 52 3HZ TRP 52 -6.352 -19.481 2.438 387 HH2 TRP 52 HH TRP 52 -6.553 -17.080 2.096 388 H GLU 53 H GLU 53 0.884 -22.155 4.221 389 HA GLU 53 HA GLU 53 0.190 -24.876 3.356 390 1HB GLU 53 2HB GLU 53 2.127 -23.784 2.176 391 2HB GLU 53 1HB GLU 53 3.003 -23.793 3.740 392 1HG GLU 53 2HG GLU 53 2.640 -26.314 3.879 393 2HG GLU 53 1HG GLU 53 1.708 -26.237 2.343 394 H LEU 54 H LEU 54 -1.099 -24.820 5.418 395 HA LEU 54 HA LEU 54 0.675 -25.889 7.499 396 1HB LEU 54 2HB LEU 54 -0.685 -23.716 7.958 397 2HB LEU 54 1HB LEU 54 -2.118 -24.778 7.978 398 HG LEU 54 HG LEU 54 -1.009 -26.110 9.845 399 1HD1 LEU 54 1HD1 LEU 54 0.907 -25.030 11.084 400 2HD1 LEU 54 2HD1 LEU 54 1.102 -23.855 9.727 401 3HD1 LEU 54 3HD1 LEU 54 1.395 -25.619 9.461 402 1HD2 LEU 54 1HD2 LEU 54 -2.648 -24.268 10.298 403 2HD2 LEU 54 2HD2 LEU 54 -1.294 -23.073 10.338 404 3HD2 LEU 54 3HD2 LEU 54 -1.397 -24.367 11.592 Start of MODEL 6 1 1H VAL 1 1HT VAL 1 7.857 16.516 9.565 2 2H VAL 1 2HT VAL 1 6.461 17.373 9.205 3 3H VAL 1 3HT VAL 1 7.374 16.677 7.976 4 HA VAL 1 HA VAL 1 5.987 15.017 8.016 5 HB VAL 1 HB VAL 1 6.260 13.294 9.750 6 1HG1 VAL 1 1HG1 VAL 1 8.657 12.899 9.359 7 2HG1 VAL 1 2HG1 VAL 1 8.898 14.580 8.791 8 3HG1 VAL 1 3HG1 VAL 1 7.855 13.443 7.851 9 1HG2 VAL 1 1HG2 VAL 1 7.857 13.646 11.602 10 2HG2 VAL 1 2HG2 VAL 1 6.444 14.732 11.783 11 3HG2 VAL 1 3HG2 VAL 1 8.021 15.385 11.203 12 H VAL 2 H VAL 2 3.822 14.153 8.552 13 HA VAL 2 HA VAL 2 2.598 15.411 10.825 14 HB VAL 2 HB VAL 2 0.538 15.615 9.513 15 1HG1 VAL 2 1HG1 VAL 2 1.171 17.740 8.366 16 2HG1 VAL 2 2HG1 VAL 2 2.906 17.295 8.456 17 3HG1 VAL 2 3HG1 VAL 2 1.992 17.596 9.973 18 1HG2 VAL 2 1HG2 VAL 2 0.675 15.706 7.006 19 2HG2 VAL 2 2HG2 VAL 2 0.970 14.052 7.632 20 3HG2 VAL 2 3HG2 VAL 2 2.351 15.063 7.072 21 H SER 3 H SER 3 1.142 14.084 11.847 22 HA SER 3 HA SER 3 1.140 11.296 10.972 23 1HB SER 3 2HB SER 3 0.277 12.573 13.607 24 2HB SER 3 1HB SER 3 0.310 10.804 13.259 25 HG SER 3 HG SER 3 2.159 11.866 14.355 26 H HIS 4 H HIS 4 -0.450 13.007 9.395 27 HA HIS 4 HA HIS 4 -3.080 11.885 9.989 28 1HB HIS 4 2HB HIS 4 -2.494 14.723 9.007 29 2HB HIS 4 1HB HIS 4 -4.113 13.946 8.907 30 HD1 HIS 4 1HD HIS 4 -3.805 16.498 10.542 31 HD2 HIS 4 2HD HIS 4 -3.514 12.652 12.200 32 HE1 HIS 4 1HE HIS 4 -4.467 16.683 12.958 33 HE2 HIS 4 2HE HIS 4 -4.273 14.356 13.925 34 H PHE 5 H PHE 5 -4.365 11.569 8.021 35 HA PHE 5 HA PHE 5 -2.515 10.454 6.083 36 1HB PHE 5 2HB PHE 5 -4.239 9.174 7.611 37 2HB PHE 5 1HB PHE 5 -5.457 9.686 6.412 38 HD1 PHE 5 1HD PHE 5 -2.472 7.681 7.082 39 HD2 PHE 5 2HD PHE 5 -5.288 8.810 4.111 40 HE1 PHE 5 1HE PHE 5 -1.741 5.811 5.679 41 HE2 PHE 5 2HE PHE 5 -4.565 6.942 2.708 42 HZ PHE 5 HZ PHE 5 -2.803 5.424 3.493 43 H ASN 6 H ASN 6 -2.707 10.636 3.863 44 HA ASN 6 HA ASN 6 -4.734 12.510 2.879 45 1HB ASN 6 2HB ASN 6 -2.152 13.201 3.047 46 2HB ASN 6 1HB ASN 6 -1.984 12.209 1.569 47 1HD2 ASN 6 1HD2 ASN 6 -3.096 13.033 -0.406 48 2HD2 ASN 6 2HD2 ASN 6 -3.747 14.644 -0.460 49 H ASP 7 H ASP 7 -5.269 12.257 0.513 50 HA ASP 7 HA ASP 7 -5.435 9.451 -0.068 51 1HB ASP 7 2HB ASP 7 -7.177 10.026 -1.613 52 2HB ASP 7 1HB ASP 7 -7.475 10.825 -0.052 53 H CYS 8 H CYS 8 -5.687 9.472 -2.768 54 HA CYS 8 HA CYS 8 -2.872 9.561 -3.444 55 1HB CYS 8 2HB CYS 8 -5.155 8.195 -4.947 56 2HB CYS 8 1HB CYS 8 -3.399 7.881 -5.124 57 HA PRO 9 HA PRO 9 -3.798 12.300 -6.888 58 1HB PRO 9 2HB PRO 9 -2.174 10.243 -8.482 59 2HB PRO 9 1HB PRO 9 -2.085 12.049 -8.583 60 1HG PRO 9 2HG PRO 9 -0.188 10.695 -7.170 61 2HG PRO 9 1HG PRO 9 -0.957 12.153 -6.407 62 1HD PRO 9 2HD PRO 9 -1.706 9.189 -5.999 63 2HD PRO 9 1HD PRO 9 -1.420 10.479 -4.738 64 H LEU 10 H LEU 10 -4.520 12.112 -9.313 65 HA LEU 10 HA LEU 10 -7.032 11.137 -9.169 66 1HB LEU 10 2HB LEU 10 -5.406 11.834 -11.669 67 2HB LEU 10 1HB LEU 10 -7.179 11.642 -11.609 68 HG LEU 10 HG LEU 10 -6.788 13.908 -11.686 69 1HD1 LEU 10 1HD1 LEU 10 -8.554 13.235 -10.040 70 2HD1 LEU 10 2HD1 LEU 10 -7.808 14.827 -9.659 71 3HD1 LEU 10 3HD1 LEU 10 -7.347 13.376 -8.704 72 1HD2 LEU 10 1HD2 LEU 10 -4.363 13.936 -11.014 73 2HD2 LEU 10 2HD2 LEU 10 -4.887 13.923 -9.276 74 3HD2 LEU 10 3HD2 LEU 10 -5.356 15.282 -10.347 75 H SER 11 H SER 11 -4.365 9.622 -11.001 76 HA SER 11 HA SER 11 -6.003 7.214 -11.208 77 1HB SER 11 2HB SER 11 -4.077 6.150 -12.360 78 2HB SER 11 1HB SER 11 -4.816 7.539 -13.197 79 HG SER 11 HG SER 11 -2.364 7.509 -11.773 80 H HIS 12 H HIS 12 -6.216 6.095 -9.403 81 HA HIS 12 HA HIS 12 -4.157 6.440 -7.384 82 1HB HIS 12 2HB HIS 12 -5.639 5.874 -5.734 83 2HB HIS 12 1HB HIS 12 -6.591 6.864 -6.866 84 HD1 HIS 12 1HD HIS 12 -8.371 5.433 -8.300 85 HD2 HIS 12 2HD HIS 12 -6.545 3.387 -5.149 86 HE1 HIS 12 1HE HIS 12 -9.703 3.290 -7.946 87 HE2 HIS 12 2HE HIS 12 -8.589 2.110 -6.013 88 H ASP 13 H ASP 13 -5.644 3.753 -9.228 89 HA ASP 13 HA ASP 13 -3.705 1.948 -7.956 90 1HB ASP 13 2HB ASP 13 -6.316 1.553 -9.501 91 2HB ASP 13 1HB ASP 13 -5.126 0.214 -9.376 92 H GLY 14 H GLY 14 -2.257 0.753 -9.120 93 1HA GLY 14 2HA GLY 14 -2.332 0.482 -11.888 94 2HA GLY 14 1HA GLY 14 -1.183 1.799 -11.439 95 H TYR 15 H TYR 15 0.490 1.244 -9.834 96 HA TYR 15 HA TYR 15 1.687 -1.226 -10.676 97 1HB TYR 15 2HB TYR 15 2.817 1.062 -10.671 98 2HB TYR 15 1HB TYR 15 2.791 1.015 -8.881 99 HD1 TYR 15 1HD TYR 15 3.834 -0.985 -11.868 100 HD2 TYR 15 2HD TYR 15 4.643 0.070 -7.835 101 HE1 TYR 15 1HE TYR 15 5.962 -2.170 -11.992 102 HE2 TYR 15 2HE TYR 15 6.785 -1.099 -7.955 103 HH TYR 15 HH TYR 15 8.375 -1.771 -9.549 104 H CYS 16 H CYS 16 0.212 0.054 -7.747 105 HA CYS 16 HA CYS 16 1.420 -2.007 -6.112 106 1HB CYS 16 2HB CYS 16 1.240 0.484 -5.566 107 2HB CYS 16 1HB CYS 16 -0.510 0.238 -5.367 108 H LEU 17 H LEU 17 0.477 -3.965 -6.222 109 HA LEU 17 HA LEU 17 -2.215 -4.217 -7.130 110 1HB LEU 17 2HB LEU 17 0.211 -5.946 -6.845 111 2HB LEU 17 1HB LEU 17 -1.354 -6.782 -6.842 112 HG LEU 17 HG LEU 17 -1.975 -5.835 -9.002 113 1HD1 LEU 17 1HD1 LEU 17 -0.750 -3.656 -9.041 114 2HD1 LEU 17 2HD1 LEU 17 -0.304 -4.673 -10.452 115 3HD1 LEU 17 3HD1 LEU 17 0.825 -4.544 -9.058 116 1HD2 LEU 17 1HD2 LEU 17 -0.352 -7.136 -10.358 117 2HD2 LEU 17 2HD2 LEU 17 -0.734 -8.004 -8.822 118 3HD2 LEU 17 3HD2 LEU 17 0.833 -7.120 -8.993 119 H HIS 18 H HIS 18 -3.442 -6.150 -6.289 120 HA HIS 18 HA HIS 18 -4.966 -6.739 -4.900 121 1HB HIS 18 2HB HIS 18 -2.456 -7.154 -3.329 122 2HB HIS 18 1HB HIS 18 -3.996 -7.371 -2.451 123 HD1 HIS 18 1HD HIS 18 -2.923 -9.798 -2.276 124 HD2 HIS 18 2HD HIS 18 -4.867 -8.761 -5.856 125 HE1 HIS 18 1HE HIS 18 -3.619 -11.930 -3.375 126 HE2 HIS 18 2HE HIS 18 -4.872 -11.289 -5.451 127 H ASP 19 H ASP 19 -5.290 -4.114 -5.199 128 HA ASP 19 HA ASP 19 -6.006 -2.257 -4.353 129 1HB ASP 19 2HB ASP 19 -7.338 -4.285 -2.672 130 2HB ASP 19 1HB ASP 19 -7.209 -2.693 -1.846 131 H GLY 20 H GLY 20 -3.902 -1.569 -4.360 132 1HA GLY 20 2HA GLY 20 -2.388 -1.629 -1.901 133 2HA GLY 20 1HA GLY 20 -1.983 -0.872 -3.484 134 H VAL 21 H VAL 21 -2.317 -0.071 -0.353 135 HA VAL 21 HA VAL 21 -4.135 2.128 -0.632 136 HB VAL 21 HB VAL 21 -2.375 1.391 1.714 137 1HG1 VAL 21 1HG1 VAL 21 -4.083 2.780 2.949 138 2HG1 VAL 21 2HG1 VAL 21 -4.876 3.196 1.390 139 3HG1 VAL 21 3HG1 VAL 21 -3.203 3.775 1.740 140 1HG2 VAL 21 1HG2 VAL 21 -5.287 0.641 1.013 141 2HG2 VAL 21 2HG2 VAL 21 -4.497 0.374 2.611 142 3HG2 VAL 21 3HG2 VAL 21 -3.897 -0.502 1.166 143 H CYS 22 H CYS 22 -3.360 3.676 -1.961 144 HA CYS 22 HA CYS 22 -0.592 4.489 -1.803 145 1HB CYS 22 2HB CYS 22 -1.298 6.048 -3.710 146 2HB CYS 22 1HB CYS 22 -1.348 4.295 -3.997 147 H MET 23 H MET 23 0.084 6.722 -1.553 148 HA MET 23 HA MET 23 -1.862 8.595 -0.619 149 1HB MET 23 2HB MET 23 -0.819 9.001 1.586 150 2HB MET 23 1HB MET 23 -1.528 7.373 1.456 151 1HG MET 23 2HG MET 23 0.915 6.594 0.795 152 2HG MET 23 1HG MET 23 1.428 8.167 1.446 153 1HE MET 23 1HE MET 23 0.806 4.558 1.955 154 2HE MET 23 2HE MET 23 -0.899 5.101 2.064 155 3HE MET 23 3HE MET 23 -0.097 4.349 3.487 156 H TYR 24 H TYR 24 -1.208 10.678 -0.933 157 HA TYR 24 HA TYR 24 1.638 11.140 -1.490 158 1HB TYR 24 2HB TYR 24 0.391 11.350 -3.614 159 2HB TYR 24 1HB TYR 24 -0.847 12.376 -2.797 160 HD1 TYR 24 1HD TYR 24 2.835 12.922 -2.271 161 HD2 TYR 24 2HD TYR 24 -0.727 13.974 -4.359 162 HE1 TYR 24 1HE TYR 24 3.877 14.964 -2.998 163 HE2 TYR 24 2HE TYR 24 0.310 16.008 -5.123 164 HH TYR 24 HH TYR 24 3.665 16.875 -4.184 165 H ILE 25 H ILE 25 2.452 12.147 0.303 166 HA ILE 25 HA ILE 25 0.654 13.945 1.736 167 HB ILE 25 HB ILE 25 2.471 13.693 3.508 168 1HG1 ILE 25 2HG1 ILE 25 3.948 12.221 1.949 169 2HG1 ILE 25 1HG1 ILE 25 3.720 11.791 3.660 170 1HG2 ILE 25 1HG2 ILE 25 0.120 13.157 3.780 171 2HG2 ILE 25 2HG2 ILE 25 1.115 11.833 4.473 172 3HG2 ILE 25 3HG2 ILE 25 0.313 11.605 2.883 173 1HD1 ILE 25 1HD1 ILE 25 3.651 9.787 2.191 174 2HD1 ILE 25 2HD1 ILE 25 2.165 10.413 1.394 175 3HD1 ILE 25 3HD1 ILE 25 2.143 10.000 3.143 176 H GLU 26 H GLU 26 0.846 15.894 0.940 177 HA GLU 26 HA GLU 26 2.997 17.050 -0.274 178 1HB GLU 26 2HB GLU 26 0.578 17.752 -0.304 179 2HB GLU 26 1HB GLU 26 0.756 18.333 1.373 180 1HG GLU 26 2HG GLU 26 2.536 20.005 0.499 181 2HG GLU 26 1HG GLU 26 2.132 19.441 -1.165 182 H ALA 27 H ALA 27 2.158 16.997 3.172 183 HA ALA 27 HA ALA 27 3.941 18.845 4.118 184 1HB ALA 27 1HB ALA 27 2.103 17.846 5.425 185 2HB ALA 27 2HB ALA 27 3.659 17.606 6.290 186 3HB ALA 27 3HB ALA 27 2.903 16.237 5.363 187 H LEU 28 H LEU 28 4.556 15.399 3.496 188 HA LEU 28 HA LEU 28 7.286 15.620 4.359 189 1HB LEU 28 2HB LEU 28 5.586 13.352 3.203 190 2HB LEU 28 1HB LEU 28 7.342 13.209 3.534 191 HG LEU 28 HG LEU 28 6.888 13.981 5.901 192 1HD1 LEU 28 1HD1 LEU 28 3.980 13.243 5.200 193 2HD1 LEU 28 2HD1 LEU 28 4.606 14.801 5.879 194 3HD1 LEU 28 3HD1 LEU 28 4.644 13.291 6.866 195 1HD2 LEU 28 1HD2 LEU 28 7.521 11.653 5.253 196 2HD2 LEU 28 2HD2 LEU 28 5.793 11.247 4.953 197 3HD2 LEU 28 3HD2 LEU 28 6.351 11.634 6.620 198 H ASP 29 H ASP 29 5.430 15.603 1.434 199 HA ASP 29 HA ASP 29 5.753 16.245 -0.554 200 1HB ASP 29 2HB ASP 29 7.756 17.606 0.392 201 2HB ASP 29 1HB ASP 29 8.793 16.323 -0.307 202 H LYS 30 H LYS 30 6.292 13.450 0.722 203 HA LYS 30 HA LYS 30 7.048 12.113 -1.780 204 1HB LYS 30 2HB LYS 30 7.398 11.273 1.162 205 2HB LYS 30 1HB LYS 30 7.806 10.233 -0.233 206 1HG LYS 30 2HG LYS 30 9.199 12.858 0.509 207 2HG LYS 30 1HG LYS 30 9.829 11.181 0.616 208 1HD LYS 30 2HD LYS 30 9.277 11.020 -1.925 209 2HD LYS 30 1HD LYS 30 9.112 12.803 -1.874 210 1HE LYS 30 2HE LYS 30 11.505 13.066 -1.298 211 2HE LYS 30 1HE LYS 30 11.689 11.278 -1.058 212 1HZ LYS 30 1HZ LYS 30 10.807 12.482 -3.636 213 2HZ LYS 30 2HZ LYS 30 11.304 10.907 -3.352 214 3HZ LYS 30 3HZ LYS 30 12.422 12.152 -3.300 215 H TYR 31 H TYR 31 6.417 9.695 -1.563 216 HA TYR 31 HA TYR 31 3.515 9.635 -1.196 217 1HB TYR 31 2HB TYR 31 4.930 7.939 -3.312 218 2HB TYR 31 1HB TYR 31 3.228 8.496 -3.258 219 HD1 TYR 31 1HD TYR 31 2.683 10.709 -4.106 220 HD2 TYR 31 2HD TYR 31 6.681 9.317 -4.015 221 HE1 TYR 31 1HE TYR 31 3.360 12.596 -5.530 222 HE2 TYR 31 2HE TYR 31 7.382 11.206 -5.431 223 HH TYR 31 HH TYR 31 5.068 13.706 -6.460 224 H ALA 32 H ALA 32 2.795 7.262 -1.036 225 HA ALA 32 HA ALA 32 4.887 5.383 -0.873 226 1HB ALA 32 1HB ALA 32 4.930 6.140 1.540 227 2HB ALA 32 2HB ALA 32 4.331 4.451 1.429 228 3HB ALA 32 3HB ALA 32 3.170 5.811 1.670 229 H CYS 33 H CYS 33 3.994 3.109 -0.687 230 HA CYS 33 HA CYS 33 1.103 3.026 -0.807 231 1HB CYS 33 2HB CYS 33 2.031 2.607 -3.149 232 2HB CYS 33 1HB CYS 33 2.796 1.129 -2.501 233 H ASN 34 H ASN 34 0.221 1.584 0.582 234 HA ASN 34 HA ASN 34 2.012 -0.397 1.834 235 1HB ASN 34 2HB ASN 34 -0.472 1.081 2.846 236 2HB ASN 34 1HB ASN 34 0.018 -0.501 3.549 237 1HD2 ASN 34 1HD2 ASN 34 0.897 -0.103 5.485 238 2HD2 ASN 34 2HD2 ASN 34 2.030 1.175 5.842 239 H CYS 35 H CYS 35 1.129 -2.538 2.166 240 HA CYS 35 HA CYS 35 -1.116 -3.131 0.398 241 1HB CYS 35 2HB CYS 35 0.101 -5.092 -0.541 242 2HB CYS 35 1HB CYS 35 0.815 -3.514 -0.984 243 H VAL 36 H VAL 36 -1.675 -5.517 0.568 244 HA VAL 36 HA VAL 36 -2.643 -5.939 3.105 245 HB VAL 36 HB VAL 36 -2.316 -7.981 0.907 246 1HG1 VAL 36 1HG1 VAL 36 -3.213 -9.047 2.949 247 2HG1 VAL 36 2HG1 VAL 36 -4.540 -8.821 1.772 248 3HG1 VAL 36 3HG1 VAL 36 -4.404 -7.694 3.164 249 1HG2 VAL 36 1HG2 VAL 36 -3.342 -5.995 -0.131 250 2HG2 VAL 36 2HG2 VAL 36 -4.410 -5.739 1.305 251 3HG2 VAL 36 3HG2 VAL 36 -4.656 -7.153 0.226 252 H VAL 37 H VAL 37 -2.359 -7.757 4.546 253 HA VAL 37 HA VAL 37 0.444 -8.034 5.119 254 HB VAL 37 HB VAL 37 -1.972 -8.904 6.731 255 1HG1 VAL 37 1HG1 VAL 37 1.018 -8.530 7.456 256 2HG1 VAL 37 2HG1 VAL 37 0.125 -10.099 7.428 257 3HG1 VAL 37 3HG1 VAL 37 -0.308 -8.839 8.624 258 1HG2 VAL 37 1HG2 VAL 37 -0.263 -6.329 6.775 259 2HG2 VAL 37 2HG2 VAL 37 -1.454 -6.806 8.037 260 3HG2 VAL 37 3HG2 VAL 37 -2.019 -6.442 6.372 261 H GLY 38 H GLY 38 1.601 -9.913 5.123 262 1HA GLY 38 2HA GLY 38 2.033 -12.093 4.876 263 2HA GLY 38 1HA GLY 38 0.310 -12.428 4.508 264 H TYR 39 H TYR 39 1.835 -9.849 2.821 265 HA TYR 39 HA TYR 39 2.328 -11.541 0.482 266 1HB TYR 39 2HB TYR 39 0.879 -8.812 0.658 267 2HB TYR 39 1HB TYR 39 1.618 -9.419 -0.858 268 HD1 TYR 39 1HD TYR 39 -1.199 -9.813 1.383 269 HD2 TYR 39 2HD TYR 39 0.997 -11.575 -1.786 270 HE1 TYR 39 1HE TYR 39 -3.162 -11.157 0.781 271 HE2 TYR 39 2HE TYR 39 -0.925 -12.981 -2.348 272 HH TYR 39 HH TYR 39 -4.073 -12.430 -0.906 273 H ILE 40 H ILE 40 4.172 -11.158 -0.620 274 HA ILE 40 HA ILE 40 5.935 -9.059 0.417 275 HB ILE 40 HB ILE 40 7.793 -10.750 0.151 276 1HG1 ILE 40 2HG1 ILE 40 5.430 -12.725 0.285 277 2HG1 ILE 40 1HG1 ILE 40 6.396 -12.375 -1.192 278 1HG2 ILE 40 1HG2 ILE 40 5.678 -11.233 2.338 279 2HG2 ILE 40 2HG2 ILE 40 6.895 -9.894 2.305 280 3HG2 ILE 40 3HG2 ILE 40 7.439 -11.599 2.423 281 1HD1 ILE 40 1HD1 ILE 40 8.475 -13.145 0.047 282 2HD1 ILE 40 2HD1 ILE 40 7.234 -14.439 -0.145 283 3HD1 ILE 40 3HD1 ILE 40 7.436 -13.623 1.440 284 H GLY 41 H GLY 41 7.703 -8.481 -0.856 285 1HA GLY 41 2HA GLY 41 8.900 -8.402 -2.778 286 2HA GLY 41 1HA GLY 41 7.548 -9.132 -3.699 287 H GLU 42 H GLU 42 8.356 -7.242 -5.127 288 HA GLU 42 HA GLU 42 8.295 -4.640 -4.331 289 1HB GLU 42 2HB GLU 42 7.687 -5.774 -7.111 290 2HB GLU 42 1HB GLU 42 8.152 -4.084 -6.777 291 1HG GLU 42 2HG GLU 42 10.405 -4.732 -6.107 292 2HG GLU 42 1HG GLU 42 9.993 -6.485 -6.176 293 H ARG 43 H ARG 43 5.767 -6.424 -6.054 294 HA ARG 43 HA ARG 43 3.906 -4.182 -5.699 295 1HB ARG 43 2HB ARG 43 2.703 -5.154 -7.609 296 2HB ARG 43 1HB ARG 43 4.405 -4.804 -7.978 297 1HG ARG 43 2HG ARG 43 4.708 -7.439 -7.259 298 2HG ARG 43 1HG ARG 43 3.004 -7.462 -7.762 299 1HD ARG 43 2HD ARG 43 4.335 -8.050 -9.699 300 2HD ARG 43 1HD ARG 43 3.757 -6.366 -9.981 301 HE ARG 43 HE ARG 43 6.509 -7.089 -8.869 302 1HH1 ARG 43 1HH1 ARG 43 4.669 -4.882 -11.025 303 2HH1 ARG 43 2HH1 ARG 43 6.064 -4.655 -12.031 304 1HH2 ARG 43 1HH2 ARG 43 8.359 -6.168 -9.979 305 2HH2 ARG 43 2HH2 ARG 43 8.053 -5.366 -11.465 306 H CYS 44 H CYS 44 4.775 -6.473 -3.803 307 HA CYS 44 HA CYS 44 3.981 -7.895 -2.413 308 1HB CYS 44 2HB CYS 44 1.419 -6.271 -2.379 309 2HB CYS 44 1HB CYS 44 2.074 -7.305 -1.073 310 H GLN 45 H GLN 45 3.932 -9.180 -4.637 311 HA GLN 45 HA GLN 45 1.274 -10.192 -5.158 312 1HB GLN 45 2HB GLN 45 3.028 -9.527 -6.907 313 2HB GLN 45 1HB GLN 45 3.860 -11.047 -6.495 314 1HG GLN 45 2HG GLN 45 1.635 -12.279 -7.030 315 2HG GLN 45 1HG GLN 45 0.981 -10.692 -7.583 316 1HE2 GLN 45 1HE2 GLN 45 2.336 -9.564 -9.307 317 2HE2 GLN 45 2HE2 GLN 45 3.064 -10.578 -10.534 318 H TYR 46 H TYR 46 4.353 -11.458 -3.758 319 HA TYR 46 HA TYR 46 3.283 -14.113 -4.100 320 1HB TYR 46 2HB TYR 46 5.938 -13.457 -2.791 321 2HB TYR 46 1HB TYR 46 5.430 -14.978 -3.600 322 HD1 TYR 46 1HD TYR 46 7.647 -12.592 -3.924 323 HD2 TYR 46 2HD TYR 46 4.370 -14.102 -6.183 324 HE1 TYR 46 1HE TYR 46 8.681 -11.769 -5.967 325 HE2 TYR 46 2HE TYR 46 5.394 -13.281 -8.223 326 HH TYR 46 HH TYR 46 8.603 -11.823 -8.265 327 H ARG 47 H ARG 47 3.133 -15.678 -2.434 328 HA ARG 47 HA ARG 47 1.828 -14.415 -0.180 329 1HB ARG 47 2HB ARG 47 1.723 -17.300 -1.156 330 2HB ARG 47 1HB ARG 47 0.586 -16.503 -0.020 331 1HG ARG 47 2HG ARG 47 -0.148 -14.983 -1.896 332 2HG ARG 47 1HG ARG 47 1.016 -15.803 -2.993 333 1HD ARG 47 2HD ARG 47 -0.203 -18.003 -2.538 334 2HD ARG 47 1HD ARG 47 -1.495 -17.032 -1.706 335 HE ARG 47 HE ARG 47 -1.010 -15.782 -4.241 336 1HH1 ARG 47 1HH1 ARG 47 -2.353 -18.888 -3.107 337 2HH1 ARG 47 2HH1 ARG 47 -2.979 -19.281 -4.645 338 1HH2 ARG 47 1HH2 ARG 47 -1.804 -16.386 -6.249 339 2HH2 ARG 47 2HH2 ARG 47 -2.448 -17.974 -6.500 340 H ASP 48 H ASP 48 2.415 -14.593 1.911 341 HA ASP 48 HA ASP 48 4.843 -15.988 2.506 342 1HB ASP 48 2HB ASP 48 4.287 -13.642 3.277 343 2HB ASP 48 1HB ASP 48 2.982 -14.334 4.301 344 H LEU 49 H LEU 49 5.094 -17.711 3.902 345 HA LEU 49 HA LEU 49 2.824 -19.457 3.754 346 1HB LEU 49 2HB LEU 49 4.302 -21.252 3.862 347 2HB LEU 49 1HB LEU 49 5.032 -20.044 2.781 348 HG LEU 49 HG LEU 49 5.848 -20.487 5.717 349 1HD1 LEU 49 1HD1 LEU 49 7.123 -21.536 3.124 350 2HD1 LEU 49 2HD1 LEU 49 6.240 -22.515 4.357 351 3HD1 LEU 49 3HD1 LEU 49 7.798 -21.709 4.785 352 1HD2 LEU 49 1HD2 LEU 49 6.547 -18.220 4.965 353 2HD2 LEU 49 2HD2 LEU 49 7.251 -18.933 3.456 354 3HD2 LEU 49 3HD2 LEU 49 7.963 -19.314 5.063 355 H LYS 50 H LYS 50 3.791 -17.528 6.260 356 HA LYS 50 HA LYS 50 4.275 -19.364 8.244 357 1HB LYS 50 2HB LYS 50 3.291 -16.505 8.607 358 2HB LYS 50 1HB LYS 50 4.186 -17.493 9.802 359 1HG LYS 50 2HG LYS 50 5.248 -16.444 7.116 360 2HG LYS 50 1HG LYS 50 5.631 -15.817 8.733 361 1HD LYS 50 2HD LYS 50 6.313 -18.629 7.686 362 2HD LYS 50 1HD LYS 50 7.430 -17.225 7.745 363 1HE LYS 50 2HE LYS 50 7.231 -17.176 10.269 364 2HE LYS 50 1HE LYS 50 6.145 -18.627 10.190 365 1HZ LYS 50 1HZ LYS 50 7.943 -19.866 9.184 366 2HZ LYS 50 2HZ LYS 50 8.435 -19.177 10.653 367 3HZ LYS 50 3HZ LYS 50 8.949 -18.513 9.183 368 H TRP 51 H TRP 51 1.126 -17.756 7.650 369 HA TRP 51 HA TRP 51 0.017 -19.270 9.845 370 1HB TRP 51 2HB TRP 51 -2.193 -18.415 9.031 371 2HB TRP 51 1HB TRP 51 -0.996 -17.234 9.662 372 HD1 TRP 51 HD TRP 51 -2.070 -18.468 6.063 373 HE1 TRP 51 1HE TRP 51 -2.127 -16.341 4.567 374 HE3 TRP 51 3HE TRP 51 -0.851 -15.000 9.559 375 HZ2 TRP 51 2HZ TRP 51 -2.002 -13.574 4.946 376 HZ3 TRP 51 3HZ TRP 51 -0.922 -12.640 8.957 377 HH2 TRP 51 HH TRP 51 -1.487 -11.925 6.703 378 H TRP 52 H TRP 52 0.392 -19.762 6.451 379 HA TRP 52 HA TRP 52 -1.666 -21.711 6.227 380 1HB TRP 52 2HB TRP 52 0.777 -21.132 4.458 381 2HB TRP 52 1HB TRP 52 -0.546 -22.267 4.027 382 HD1 TRP 52 HD TRP 52 0.394 -18.772 3.373 383 HE1 TRP 52 1HE TRP 52 -1.673 -17.443 2.563 384 HE3 TRP 52 3HE TRP 52 -3.250 -22.114 4.537 385 HZ2 TRP 52 2HZ TRP 52 -4.399 -17.934 2.120 386 HZ3 TRP 52 3HZ TRP 52 -5.552 -21.624 3.895 387 HH2 TRP 52 HH TRP 52 -6.123 -19.579 2.701 388 H GLU 53 H GLU 53 1.889 -22.101 6.193 389 HA GLU 53 HA GLU 53 1.418 -24.986 6.241 390 1HB GLU 53 2HB GLU 53 2.770 -23.608 4.444 391 2HB GLU 53 1HB GLU 53 4.080 -23.666 5.633 392 1HG GLU 53 2HG GLU 53 4.433 -25.552 4.179 393 2HG GLU 53 1HG GLU 53 3.713 -26.278 5.658 394 H LEU 54 H LEU 54 0.847 -24.475 8.608 395 HA LEU 54 HA LEU 54 3.287 -24.679 10.227 396 1HB LEU 54 2HB LEU 54 1.735 -22.485 10.135 397 2HB LEU 54 1HB LEU 54 0.742 -23.414 11.280 398 HG LEU 54 HG LEU 54 2.232 -21.870 12.409 399 1HD1 LEU 54 1HD1 LEU 54 3.339 -24.702 12.883 400 2HD1 LEU 54 2HD1 LEU 54 1.814 -24.024 13.587 401 3HD1 LEU 54 3HD1 LEU 54 3.407 -23.306 14.018 402 1HD2 LEU 54 1HD2 LEU 54 4.646 -23.288 11.118 403 2HD2 LEU 54 2HD2 LEU 54 4.690 -21.943 12.310 404 3HD2 LEU 54 3HD2 LEU 54 4.002 -21.665 10.663 Start of MODEL 7 1 1H VAL 1 1HT VAL 1 8.172 18.381 7.613 2 2H VAL 1 2HT VAL 1 8.000 20.048 7.654 3 3H VAL 1 3HT VAL 1 7.056 19.171 6.619 4 HA VAL 1 HA VAL 1 6.834 18.180 9.253 5 HB VAL 1 HB VAL 1 5.659 20.035 10.339 6 1HG1 VAL 1 1HG1 VAL 1 8.045 19.507 10.821 7 2HG1 VAL 1 2HG1 VAL 1 7.669 21.251 10.988 8 3HG1 VAL 1 3HG1 VAL 1 8.570 20.678 9.548 9 1HG2 VAL 1 1HG2 VAL 1 4.973 21.375 8.334 10 2HG2 VAL 1 2HG2 VAL 1 6.697 21.743 7.971 11 3HG2 VAL 1 3HG2 VAL 1 5.947 22.345 9.484 12 H VAL 2 H VAL 2 4.694 17.545 9.880 13 HA VAL 2 HA VAL 2 3.062 17.290 7.527 14 HB VAL 2 HB VAL 2 3.725 15.305 8.529 15 1HG1 VAL 2 1HG1 VAL 2 2.233 16.180 11.083 16 2HG1 VAL 2 2HG1 VAL 2 4.021 15.975 10.912 17 3HG1 VAL 2 3HG1 VAL 2 2.936 14.562 10.751 18 1HG2 VAL 2 1HG2 VAL 2 1.549 14.229 8.613 19 2HG2 VAL 2 2HG2 VAL 2 1.467 15.557 7.401 20 3HG2 VAL 2 3HG2 VAL 2 0.713 15.764 9.034 21 H SER 3 H SER 3 1.364 18.476 7.098 22 HA SER 3 HA SER 3 0.109 19.952 9.285 23 1HB SER 3 2HB SER 3 -0.196 20.267 6.255 24 2HB SER 3 1HB SER 3 -0.896 21.341 7.516 25 HG SER 3 HG SER 3 1.146 21.963 8.078 26 H HIS 4 H HIS 4 -0.942 17.985 6.396 27 HA HIS 4 HA HIS 4 -3.142 17.034 8.089 28 1HB HIS 4 2HB HIS 4 -3.151 17.440 5.041 29 2HB HIS 4 1HB HIS 4 -4.415 16.585 5.981 30 HD1 HIS 4 1HD HIS 4 -3.150 20.087 5.295 31 HD2 HIS 4 2HD HIS 4 -6.379 18.121 7.116 32 HE1 HIS 4 1HE HIS 4 -4.844 21.824 5.780 33 HE2 HIS 4 2HE HIS 4 -6.787 20.659 6.894 34 H PHE 5 H PHE 5 -3.766 14.806 7.604 35 HA PHE 5 HA PHE 5 -1.725 13.366 6.062 36 1HB PHE 5 2HB PHE 5 -2.306 12.867 8.747 37 2HB PHE 5 1HB PHE 5 -3.428 11.729 7.939 38 HD1 PHE 5 1HD PHE 5 -2.434 10.108 6.255 39 HD2 PHE 5 2HD PHE 5 -0.007 12.563 8.734 40 HE1 PHE 5 1HE PHE 5 -0.519 8.671 5.791 41 HE2 PHE 5 2HE PHE 5 1.934 11.143 8.225 42 HZ PHE 5 HZ PHE 5 1.674 9.192 6.766 43 H ASN 6 H ASN 6 -2.476 11.994 4.434 44 HA ASN 6 HA ASN 6 -5.368 11.991 4.028 45 1HB ASN 6 2HB ASN 6 -3.315 12.515 1.800 46 2HB ASN 6 1HB ASN 6 -5.098 12.476 1.629 47 1HD2 ASN 6 1HD2 ASN 6 -5.833 14.184 3.870 48 2HD2 ASN 6 2HD2 ASN 6 -5.367 15.774 3.352 49 H ASP 7 H ASP 7 -6.046 10.234 2.641 50 HA ASP 7 HA ASP 7 -4.037 8.133 2.243 51 1HB ASP 7 2HB ASP 7 -7.107 8.144 2.038 52 2HB ASP 7 1HB ASP 7 -6.069 6.746 1.563 53 H CYS 8 H CYS 8 -4.281 7.060 0.047 54 HA CYS 8 HA CYS 8 -3.954 9.113 -1.941 55 1HB CYS 8 2HB CYS 8 -2.391 7.230 -1.460 56 2HB CYS 8 1HB CYS 8 -3.675 6.066 -1.861 57 HA PRO 9 HA PRO 9 -7.976 8.274 -3.509 58 1HB PRO 9 2HB PRO 9 -7.775 8.781 -6.255 59 2HB PRO 9 1HB PRO 9 -7.775 10.057 -4.981 60 1HG PRO 9 2HG PRO 9 -5.310 8.746 -6.268 61 2HG PRO 9 1HG PRO 9 -5.670 10.525 -6.099 62 1HD PRO 9 2HD PRO 9 -4.084 9.256 -4.265 63 2HD PRO 9 1HD PRO 9 -5.366 10.410 -3.679 64 H LEU 10 H LEU 10 -9.273 6.847 -4.772 65 HA LEU 10 HA LEU 10 -8.767 4.382 -4.154 66 1HB LEU 10 2HB LEU 10 -10.940 5.361 -4.777 67 2HB LEU 10 1HB LEU 10 -10.466 5.381 -6.492 68 HG LEU 10 HG LEU 10 -10.415 2.873 -6.511 69 1HD1 LEU 10 1HD1 LEU 10 -9.842 2.361 -4.148 70 2HD1 LEU 10 2HD1 LEU 10 -11.434 1.632 -4.555 71 3HD1 LEU 10 3HD1 LEU 10 -11.364 3.147 -3.587 72 1HD2 LEU 10 1HD2 LEU 10 -12.480 4.107 -7.144 73 2HD2 LEU 10 2HD2 LEU 10 -13.027 4.097 -5.422 74 3HD2 LEU 10 3HD2 LEU 10 -12.872 2.547 -6.331 75 H SER 11 H SER 11 -8.464 5.326 -7.574 76 HA SER 11 HA SER 11 -6.367 3.298 -7.871 77 1HB SER 11 2HB SER 11 -8.440 2.137 -8.602 78 2HB SER 11 1HB SER 11 -8.833 3.505 -9.679 79 HG SER 11 HG SER 11 -6.402 2.054 -9.901 80 H HIS 12 H HIS 12 -4.660 4.547 -8.409 81 HA HIS 12 HA HIS 12 -5.039 6.373 -10.642 82 1HB HIS 12 2HB HIS 12 -5.594 7.568 -8.399 83 2HB HIS 12 1HB HIS 12 -3.859 7.444 -8.020 84 HD1 HIS 12 1HD HIS 12 -6.328 9.553 -9.680 85 HD2 HIS 12 2HD HIS 12 -2.238 8.809 -10.260 86 HE1 HIS 12 1HE HIS 12 -5.422 11.485 -10.982 87 HE2 HIS 12 2HE HIS 12 -2.969 11.024 -11.334 88 H ASP 13 H ASP 13 -2.776 4.874 -8.305 89 HA ASP 13 HA ASP 13 -0.636 5.299 -10.247 90 1HB ASP 13 2HB ASP 13 -0.543 6.118 -7.759 91 2HB ASP 13 1HB ASP 13 -0.356 4.386 -7.331 92 H GLY 14 H GLY 14 0.774 3.350 -10.579 93 1HA GLY 14 2HA GLY 14 -0.759 0.854 -10.288 94 2HA GLY 14 1HA GLY 14 -0.145 1.457 -11.862 95 H TYR 15 H TYR 15 1.972 2.161 -9.304 96 HA TYR 15 HA TYR 15 3.810 0.185 -10.230 97 1HB TYR 15 2HB TYR 15 4.454 2.568 -9.696 98 2HB TYR 15 1HB TYR 15 4.048 2.260 -7.979 99 HD1 TYR 15 1HD TYR 15 5.957 0.293 -10.591 100 HD2 TYR 15 2HD TYR 15 6.012 2.256 -6.820 101 HE1 TYR 15 1HE TYR 15 8.213 -0.537 -10.190 102 HE2 TYR 15 2HE TYR 15 8.262 1.393 -6.405 103 HH TYR 15 HH TYR 15 9.886 -0.019 -7.115 104 H CYS 16 H CYS 16 1.633 0.542 -7.499 105 HA CYS 16 HA CYS 16 2.758 -1.858 -6.274 106 1HB CYS 16 2HB CYS 16 2.034 0.241 -4.999 107 2HB CYS 16 1HB CYS 16 0.345 -0.200 -5.385 108 H LEU 17 H LEU 17 1.910 -3.879 -6.598 109 HA LEU 17 HA LEU 17 -0.290 -4.013 -8.495 110 1HB LEU 17 2HB LEU 17 1.821 -6.030 -7.611 111 2HB LEU 17 1HB LEU 17 0.457 -6.438 -8.688 112 HG LEU 17 HG LEU 17 2.317 -6.205 -10.042 113 1HD1 LEU 17 1HD1 LEU 17 0.747 -3.582 -10.408 114 2HD1 LEU 17 2HD1 LEU 17 0.216 -5.216 -10.982 115 3HD1 LEU 17 3HD1 LEU 17 1.706 -4.458 -11.650 116 1HD2 LEU 17 1HD2 LEU 17 3.809 -4.868 -8.549 117 2HD2 LEU 17 2HD2 LEU 17 2.894 -3.369 -8.999 118 3HD2 LEU 17 3HD2 LEU 17 3.796 -4.280 -10.253 119 H HIS 18 H HIS 18 -1.619 -6.014 -8.281 120 HA HIS 18 HA HIS 18 -3.304 -6.971 -7.332 121 1HB HIS 18 2HB HIS 18 -1.229 -8.125 -6.317 122 2HB HIS 18 1HB HIS 18 -1.660 -7.330 -4.794 123 HD1 HIS 18 1HD HIS 18 -4.181 -8.114 -3.908 124 HD2 HIS 18 2HD HIS 18 -2.513 -10.421 -6.975 125 HE1 HIS 18 1HE HIS 18 -5.342 -10.359 -3.844 126 HE2 HIS 18 2HE HIS 18 -4.343 -11.707 -5.729 127 H ASP 19 H ASP 19 -3.366 -4.178 -7.085 128 HA ASP 19 HA ASP 19 -4.197 -2.481 -6.083 129 1HB ASP 19 2HB ASP 19 -6.206 -3.737 -6.809 130 2HB ASP 19 1HB ASP 19 -6.377 -4.408 -5.152 131 H GLY 20 H GLY 20 -2.346 -2.199 -4.777 132 1HA GLY 20 2HA GLY 20 -2.643 -2.912 -1.973 133 2HA GLY 20 1HA GLY 20 -1.247 -2.156 -2.811 134 H VAL 21 H VAL 21 -2.126 -1.260 -0.295 135 HA VAL 21 HA VAL 21 -3.890 0.962 -0.737 136 HB VAL 21 HB VAL 21 -2.491 0.049 1.781 137 1HG1 VAL 21 1HG1 VAL 21 -3.125 2.494 1.844 138 2HG1 VAL 21 2HG1 VAL 21 -4.224 1.516 2.873 139 3HG1 VAL 21 3HG1 VAL 21 -4.778 2.076 1.256 140 1HG2 VAL 21 1HG2 VAL 21 -5.347 -0.411 0.691 141 2HG2 VAL 21 2HG2 VAL 21 -4.791 -0.815 2.350 142 3HG2 VAL 21 3HG2 VAL 21 -4.087 -1.678 0.940 143 H CYS 22 H CYS 22 -2.997 2.549 -1.821 144 HA CYS 22 HA CYS 22 -0.252 3.290 -1.627 145 1HB CYS 22 2HB CYS 22 -1.364 3.431 -3.731 146 2HB CYS 22 1HB CYS 22 -2.755 4.268 -3.033 147 H MET 23 H MET 23 0.707 4.971 -0.518 148 HA MET 23 HA MET 23 -1.106 7.052 0.443 149 1HB MET 23 2HB MET 23 1.304 6.124 2.068 150 2HB MET 23 1HB MET 23 0.173 7.467 2.453 151 1HG MET 23 2HG MET 23 -1.679 5.648 2.519 152 2HG MET 23 1HG MET 23 -0.352 4.463 2.527 153 1HE MET 23 1HE MET 23 1.644 5.791 5.813 154 2HE MET 23 2HE MET 23 1.705 6.831 4.357 155 3HE MET 23 3HE MET 23 1.843 5.043 4.195 156 H TYR 24 H TYR 24 -0.590 8.792 -0.803 157 HA TYR 24 HA TYR 24 2.243 9.513 -0.744 158 1HB TYR 24 2HB TYR 24 1.811 9.046 -3.131 159 2HB TYR 24 1HB TYR 24 0.290 10.038 -3.063 160 HD1 TYR 24 1HD TYR 24 3.859 10.502 -1.964 161 HD2 TYR 24 2HD TYR 24 0.502 11.984 -4.121 162 HE1 TYR 24 1HE TYR 24 5.066 12.542 -2.411 163 HE2 TYR 24 2HE TYR 24 1.695 14.029 -4.594 164 HH TYR 24 HH TYR 24 5.030 14.575 -3.381 165 H ILE 25 H ILE 25 2.498 11.202 0.588 166 HA ILE 25 HA ILE 25 0.302 13.112 0.774 167 HB ILE 25 HB ILE 25 1.111 13.408 3.141 168 1HG1 ILE 25 2HG1 ILE 25 3.049 11.643 2.812 169 2HG1 ILE 25 1HG1 ILE 25 2.116 11.736 4.329 170 1HG2 ILE 25 1HG2 ILE 25 -0.660 11.068 2.242 171 2HG2 ILE 25 2HG2 ILE 25 -1.137 12.783 2.515 172 3HG2 ILE 25 3HG2 ILE 25 -0.598 11.761 3.902 173 1HD1 ILE 25 1HD1 ILE 25 2.509 9.382 3.627 174 2HD1 ILE 25 2HD1 ILE 25 1.546 9.661 2.128 175 3HD1 ILE 25 3HD1 ILE 25 0.762 9.774 3.740 176 H GLU 26 H GLU 26 0.865 15.053 0.224 177 HA GLU 26 HA GLU 26 3.264 15.496 -0.952 178 1HB GLU 26 2HB GLU 26 1.158 17.516 -0.063 179 2HB GLU 26 1HB GLU 26 2.380 17.769 -1.356 180 1HG GLU 26 2HG GLU 26 1.358 15.851 -2.653 181 2HG GLU 26 1HG GLU 26 0.045 15.733 -1.423 182 H ALA 27 H ALA 27 2.382 16.477 2.346 183 HA ALA 27 HA ALA 27 4.006 18.720 2.456 184 1HB ALA 27 1HB ALA 27 2.104 18.258 4.020 185 2HB ALA 27 2HB ALA 27 3.636 18.581 4.903 186 3HB ALA 27 3HB ALA 27 3.039 16.894 4.743 187 H LEU 28 H LEU 28 4.598 15.450 3.733 188 HA LEU 28 HA LEU 28 7.392 16.059 4.153 189 1HB LEU 28 2HB LEU 28 5.931 13.366 4.338 190 2HB LEU 28 1HB LEU 28 7.547 13.768 4.997 191 HG LEU 28 HG LEU 28 4.818 14.787 5.955 192 1HD1 LEU 28 1HD1 LEU 28 5.443 12.476 6.663 193 2HD1 LEU 28 2HD1 LEU 28 5.460 13.619 8.060 194 3HD1 LEU 28 3HD1 LEU 28 7.009 13.097 7.313 195 1HD2 LEU 28 1HD2 LEU 28 6.258 16.711 6.187 196 2HD2 LEU 28 2HD2 LEU 28 7.634 15.697 6.798 197 3HD2 LEU 28 3HD2 LEU 28 6.159 15.918 7.807 198 H ASP 29 H ASP 29 5.371 14.850 1.686 199 HA ASP 29 HA ASP 29 5.629 14.204 -0.322 200 1HB ASP 29 2HB ASP 29 7.093 16.321 -0.165 201 2HB ASP 29 1HB ASP 29 8.505 15.226 -0.300 202 H LYS 30 H LYS 30 5.671 12.117 1.183 203 HA LYS 30 HA LYS 30 7.748 10.374 0.042 204 1HB LYS 30 2HB LYS 30 6.228 10.092 2.703 205 2HB LYS 30 1HB LYS 30 7.524 9.010 2.109 206 1HG LYS 30 2HG LYS 30 7.836 11.964 2.935 207 2HG LYS 30 1HG LYS 30 8.326 10.521 3.869 208 1HD LYS 30 2HD LYS 30 9.858 9.844 2.018 209 2HD LYS 30 1HD LYS 30 9.424 11.317 1.111 210 1HE LYS 30 2HE LYS 30 10.536 11.552 3.986 211 2HE LYS 30 1HE LYS 30 11.663 11.224 2.619 212 1HZ LYS 30 1HZ LYS 30 11.073 13.203 1.565 213 2HZ LYS 30 2HZ LYS 30 11.386 13.595 3.140 214 3HZ LYS 30 3HZ LYS 30 9.781 13.538 2.612 215 H TYR 31 H TYR 31 7.262 8.575 -0.880 216 HA TYR 31 HA TYR 31 4.439 7.909 -1.291 217 1HB TYR 31 2HB TYR 31 7.062 7.287 -2.738 218 2HB TYR 31 1HB TYR 31 5.670 6.189 -2.952 219 HD1 TYR 31 1HD TYR 31 6.718 9.733 -3.333 220 HD2 TYR 31 2HD TYR 31 3.878 6.721 -4.255 221 HE1 TYR 31 1HE TYR 31 5.792 11.157 -5.103 222 HE2 TYR 31 2HE TYR 31 2.926 8.142 -6.012 223 HH TYR 31 HH TYR 31 3.153 10.010 -7.192 224 H ALA 32 H ALA 32 3.588 5.884 -0.863 225 HA ALA 32 HA ALA 32 5.359 3.765 -0.235 226 1HB ALA 32 1HB ALA 32 3.326 4.696 1.908 227 2HB ALA 32 2HB ALA 32 5.111 4.791 2.069 228 3HB ALA 32 3HB ALA 32 4.311 3.186 1.999 229 H CYS 33 H CYS 33 4.340 1.729 -0.244 230 HA CYS 33 HA CYS 33 1.430 1.740 -0.571 231 1HB CYS 33 2HB CYS 33 2.684 1.063 -2.723 232 2HB CYS 33 1HB CYS 33 3.285 -0.356 -1.827 233 H ASN 34 H ASN 34 0.368 0.426 0.829 234 HA ASN 34 HA ASN 34 1.971 -1.448 2.442 235 1HB ASN 34 2HB ASN 34 -0.843 -0.346 3.031 236 2HB ASN 34 1HB ASN 34 0.129 -1.441 4.080 237 1HD2 ASN 34 1HD2 ASN 34 -0.635 1.819 3.412 238 2HD2 ASN 34 2HD2 ASN 34 0.652 2.564 4.332 239 H CYS 35 H CYS 35 1.146 -3.641 2.628 240 HA CYS 35 HA CYS 35 -0.354 -4.321 0.218 241 1HB CYS 35 2HB CYS 35 1.269 -6.160 2.040 242 2HB CYS 35 1HB CYS 35 0.621 -6.525 0.411 243 H VAL 36 H VAL 36 -1.530 -6.485 0.471 244 HA VAL 36 HA VAL 36 -3.512 -6.327 2.496 245 HB VAL 36 HB VAL 36 -2.880 -8.472 0.455 246 1HG1 VAL 36 1HG1 VAL 36 -5.373 -8.880 0.557 247 2HG1 VAL 36 2HG1 VAL 36 -5.476 -7.803 1.993 248 3HG1 VAL 36 3HG1 VAL 36 -4.522 -9.351 2.046 249 1HG2 VAL 36 1HG2 VAL 36 -3.142 -6.330 -0.763 250 2HG2 VAL 36 2HG2 VAL 36 -4.599 -5.918 0.225 251 3HG2 VAL 36 3HG2 VAL 36 -4.641 -7.286 -0.934 252 H VAL 37 H VAL 37 -3.975 -8.344 3.860 253 HA VAL 37 HA VAL 37 -1.621 -8.995 5.314 254 HB VAL 37 HB VAL 37 -4.414 -10.135 5.569 255 1HG1 VAL 37 1HG1 VAL 37 -3.595 -10.648 7.919 256 2HG1 VAL 37 2HG1 VAL 37 -1.949 -10.111 7.448 257 3HG1 VAL 37 3HG1 VAL 37 -2.686 -11.572 6.682 258 1HG2 VAL 37 1HG2 VAL 37 -4.452 -7.664 5.848 259 2HG2 VAL 37 2HG2 VAL 37 -2.993 -7.738 6.906 260 3HG2 VAL 37 3HG2 VAL 37 -4.553 -8.436 7.460 261 H GLY 38 H GLY 38 -0.208 -10.613 4.917 262 1HA GLY 38 2HA GLY 38 0.488 -12.627 4.319 263 2HA GLY 38 1HA GLY 38 -1.074 -12.989 3.517 264 H TYR 39 H TYR 39 0.539 -9.970 2.755 265 HA TYR 39 HA TYR 39 1.575 -11.154 0.287 266 1HB TYR 39 2HB TYR 39 -0.149 -8.671 0.696 267 2HB TYR 39 1HB TYR 39 1.113 -8.652 -0.595 268 HD1 TYR 39 1HD TYR 39 -1.937 -10.406 0.561 269 HD2 TYR 39 2HD TYR 39 0.957 -9.944 -2.517 270 HE1 TYR 39 1HE TYR 39 -3.320 -11.741 -0.933 271 HE2 TYR 39 2HE TYR 39 -0.366 -11.368 -3.989 272 HH TYR 39 HH TYR 39 -2.103 -12.757 -4.127 273 H ILE 40 H ILE 40 3.494 -10.536 -0.387 274 HA ILE 40 HA ILE 40 5.008 -8.638 1.240 275 HB ILE 40 HB ILE 40 6.975 -10.204 1.004 276 1HG1 ILE 40 2HG1 ILE 40 4.785 -12.280 0.426 277 2HG1 ILE 40 1HG1 ILE 40 5.763 -11.532 -0.863 278 1HG2 ILE 40 1HG2 ILE 40 6.322 -11.552 2.960 279 2HG2 ILE 40 2HG2 ILE 40 4.586 -11.190 2.679 280 3HG2 ILE 40 3HG2 ILE 40 5.714 -9.864 3.137 281 1HD1 ILE 40 1HD1 ILE 40 6.785 -13.674 -0.274 282 2HD1 ILE 40 2HD1 ILE 40 6.893 -13.211 1.466 283 3HD1 ILE 40 3HD1 ILE 40 7.887 -12.349 0.229 284 H GLY 41 H GLY 41 7.231 -8.348 0.099 285 1HA GLY 41 2HA GLY 41 8.301 -7.757 -1.821 286 2HA GLY 41 1HA GLY 41 6.771 -7.921 -2.761 287 H GLU 42 H GLU 42 8.638 -5.594 -2.631 288 HA GLU 42 HA GLU 42 7.404 -3.660 -0.977 289 1HB GLU 42 2HB GLU 42 8.842 -2.051 -1.998 290 2HB GLU 42 1HB GLU 42 9.755 -3.544 -1.663 291 1HG GLU 42 2HG GLU 42 9.401 -4.185 -4.157 292 2HG GLU 42 1HG GLU 42 8.756 -2.519 -4.402 293 H ARG 43 H ARG 43 6.948 -4.715 -4.278 294 HA ARG 43 HA ARG 43 4.834 -2.768 -4.707 295 1HB ARG 43 2HB ARG 43 4.847 -3.571 -7.019 296 2HB ARG 43 1HB ARG 43 6.433 -2.993 -6.490 297 1HG ARG 43 2HG ARG 43 6.160 -5.904 -6.049 298 2HG ARG 43 1HG ARG 43 5.815 -5.480 -7.729 299 1HD ARG 43 2HD ARG 43 8.387 -4.580 -6.263 300 2HD ARG 43 1HD ARG 43 8.242 -6.077 -7.278 301 HE ARG 43 HE ARG 43 7.298 -4.238 -9.021 302 1HH1 ARG 43 1HH1 ARG 43 10.444 -4.693 -7.356 303 2HH1 ARG 43 2HH1 ARG 43 11.292 -3.873 -8.608 304 1HH2 ARG 43 1HH2 ARG 43 8.529 -3.016 -10.580 305 2HH2 ARG 43 2HH2 ARG 43 10.244 -2.951 -10.360 306 H CYS 44 H CYS 44 4.757 -5.240 -2.848 307 HA CYS 44 HA CYS 44 3.349 -6.702 -2.157 308 1HB CYS 44 2HB CYS 44 1.289 -4.911 -3.498 309 2HB CYS 44 1HB CYS 44 0.946 -6.093 -2.205 310 H GLN 45 H GLN 45 4.483 -7.833 -4.334 311 HA GLN 45 HA GLN 45 2.395 -8.565 -6.172 312 1HB GLN 45 2HB GLN 45 4.836 -7.832 -6.648 313 2HB GLN 45 1HB GLN 45 5.293 -9.492 -6.195 314 1HG GLN 45 2HG GLN 45 3.575 -10.294 -8.021 315 2HG GLN 45 1HG GLN 45 3.454 -8.552 -8.497 316 1HE2 GLN 45 1HE2 GLN 45 5.628 -7.453 -8.918 317 2HE2 GLN 45 2HE2 GLN 45 6.959 -8.389 -9.528 318 H TYR 46 H TYR 46 4.228 -10.234 -3.595 319 HA TYR 46 HA TYR 46 3.246 -12.779 -4.678 320 1HB TYR 46 2HB TYR 46 5.374 -12.671 -2.542 321 2HB TYR 46 1HB TYR 46 5.085 -13.890 -3.811 322 HD1 TYR 46 1HD TYR 46 7.101 -11.264 -2.761 323 HD2 TYR 46 2HD TYR 46 5.436 -12.950 -6.290 324 HE1 TYR 46 1HE TYR 46 8.857 -10.204 -4.086 325 HE2 TYR 46 2HE TYR 46 7.196 -11.907 -7.621 326 HH TYR 46 HH TYR 46 9.061 -10.674 -7.593 327 H ARG 47 H ARG 47 2.056 -14.196 -3.394 328 HA ARG 47 HA ARG 47 1.206 -13.160 -0.807 329 1HB ARG 47 2HB ARG 47 -0.469 -13.999 -2.452 330 2HB ARG 47 1HB ARG 47 0.305 -15.601 -2.416 331 1HG ARG 47 2HG ARG 47 -0.223 -15.784 0.027 332 2HG ARG 47 1HG ARG 47 -1.002 -14.177 0.001 333 1HD ARG 47 2HD ARG 47 -1.950 -16.449 -1.851 334 2HD ARG 47 1HD ARG 47 -2.480 -16.378 -0.141 335 HE ARG 47 HE ARG 47 -3.009 -14.213 -2.217 336 1HH1 ARG 47 1HH1 ARG 47 -3.647 -15.319 1.133 337 2HH1 ARG 47 2HH1 ARG 47 -5.176 -14.445 1.148 338 1HH2 ARG 47 1HH2 ARG 47 -5.179 -13.318 -2.096 339 2HH2 ARG 47 2HH2 ARG 47 -5.921 -13.302 -0.537 340 H ASP 48 H ASP 48 1.974 -13.931 1.043 341 HA ASP 48 HA ASP 48 4.143 -15.838 0.928 342 1HB ASP 48 2HB ASP 48 4.327 -13.523 2.023 343 2HB ASP 48 1HB ASP 48 3.223 -14.125 3.313 344 H LEU 49 H LEU 49 3.422 -17.900 0.980 345 HA LEU 49 HA LEU 49 0.872 -18.436 2.168 346 1HB LEU 49 2HB LEU 49 2.849 -20.114 0.558 347 2HB LEU 49 1HB LEU 49 1.218 -20.680 1.037 348 HG LEU 49 HG LEU 49 1.663 -18.139 -0.624 349 1HD1 LEU 49 1HD1 LEU 49 1.186 -19.477 -2.635 350 2HD1 LEU 49 2HD1 LEU 49 1.071 -20.979 -1.642 351 3HD1 LEU 49 3HD1 LEU 49 2.653 -20.117 -1.798 352 1HD2 LEU 49 1HD2 LEU 49 -0.578 -18.298 0.487 353 2HD2 LEU 49 2HD2 LEU 49 -0.798 -19.954 -0.196 354 3HD2 LEU 49 3HD2 LEU 49 -0.719 -18.537 -1.299 355 H LYS 50 H LYS 50 4.080 -18.758 3.300 356 HA LYS 50 HA LYS 50 4.021 -21.278 4.330 357 1HB LYS 50 2HB LYS 50 5.646 -18.887 5.317 358 2HB LYS 50 1HB LYS 50 5.902 -20.586 5.807 359 1HG LYS 50 2HG LYS 50 7.397 -20.665 4.142 360 2HG LYS 50 1HG LYS 50 5.961 -20.985 3.138 361 1HD LYS 50 2HD LYS 50 7.083 -19.355 1.927 362 2HD LYS 50 1HD LYS 50 5.877 -18.363 2.804 363 1HE LYS 50 2HE LYS 50 7.656 -17.697 4.479 364 2HE LYS 50 1HE LYS 50 8.838 -18.777 3.630 365 1HZ LYS 50 1HZ LYS 50 9.140 -16.563 2.806 366 2HZ LYS 50 2HZ LYS 50 7.468 -16.391 2.530 367 3HZ LYS 50 3HZ LYS 50 8.396 -17.459 1.607 368 H TRP 51 H TRP 51 2.971 -18.324 5.992 369 HA TRP 51 HA TRP 51 2.797 -19.701 8.481 370 1HB TRP 51 2HB TRP 51 1.964 -17.582 9.362 371 2HB TRP 51 1HB TRP 51 3.474 -17.393 8.405 372 HD1 TRP 51 HD TRP 51 3.266 -15.892 6.108 373 HE1 TRP 51 1HE TRP 51 1.540 -14.144 5.422 374 HE3 TRP 51 3HE TRP 51 -0.408 -17.132 9.391 375 HZ2 TRP 51 2HZ TRP 51 -1.081 -13.387 6.211 376 HZ3 TRP 51 3HZ TRP 51 -2.489 -15.851 9.380 377 HH2 TRP 51 HH TRP 51 -2.825 -14.012 7.818 378 H TRP 52 H TRP 52 0.548 -19.111 5.943 379 HA TRP 52 HA TRP 52 -1.820 -19.100 7.331 380 1HB TRP 52 2HB TRP 52 -1.234 -20.140 4.518 381 2HB TRP 52 1HB TRP 52 -2.885 -19.884 5.163 382 HD1 TRP 52 HD TRP 52 0.295 -17.693 4.452 383 HE1 TRP 52 1HE TRP 52 -0.495 -15.414 3.714 384 HE3 TRP 52 3HE TRP 52 -4.679 -18.412 5.125 385 HZ2 TRP 52 2HZ TRP 52 -3.013 -14.028 3.518 386 HZ3 TRP 52 3HZ TRP 52 -6.223 -16.578 4.653 387 HH2 TRP 52 HH TRP 52 -5.405 -14.411 3.889 388 H GLU 53 H GLU 53 0.050 -21.922 6.341 389 HA GLU 53 HA GLU 53 -1.896 -23.570 7.814 390 1HB GLU 53 2HB GLU 53 -1.830 -23.754 5.200 391 2HB GLU 53 1HB GLU 53 -0.286 -24.598 5.453 392 1HG GLU 53 2HG GLU 53 -1.614 -26.183 7.070 393 2HG GLU 53 1HG GLU 53 -3.107 -25.400 6.457 394 H LEU 54 H LEU 54 0.282 -22.344 9.126 395 HA LEU 54 HA LEU 54 1.526 -24.787 10.006 396 1HB LEU 54 2HB LEU 54 2.983 -23.901 8.143 397 2HB LEU 54 1HB LEU 54 3.216 -22.412 9.094 398 HG LEU 54 HG LEU 54 4.258 -23.836 10.927 399 1HD1 LEU 54 1HD1 LEU 54 5.037 -26.151 10.350 400 2HD1 LEU 54 2HD1 LEU 54 4.072 -26.096 8.831 401 3HD1 LEU 54 3HD1 LEU 54 3.245 -26.058 10.434 402 1HD2 LEU 54 1HD2 LEU 54 5.635 -22.629 9.207 403 2HD2 LEU 54 2HD2 LEU 54 5.571 -24.089 8.147 404 3HD2 LEU 54 3HD2 LEU 54 6.416 -24.167 9.737 Start of MODEL 8 1 1H VAL 1 1HT VAL 1 5.839 17.078 8.483 2 2H VAL 1 2HT VAL 1 6.530 18.159 9.558 3 3H VAL 1 3HT VAL 1 5.136 18.580 8.736 4 HA VAL 1 HA VAL 1 5.320 16.359 10.672 5 HB VAL 1 HB VAL 1 3.949 17.694 12.198 6 1HG1 VAL 1 1HG1 VAL 1 6.626 19.029 11.438 7 2HG1 VAL 1 2HG1 VAL 1 6.431 17.541 12.445 8 3HG1 VAL 1 3HG1 VAL 1 5.767 19.110 13.012 9 1HG2 VAL 1 1HG2 VAL 1 4.536 20.066 10.304 10 2HG2 VAL 1 2HG2 VAL 1 3.696 20.112 11.886 11 3HG2 VAL 1 3HG2 VAL 1 2.924 19.280 10.491 12 H VAL 2 H VAL 2 3.221 15.389 11.316 13 HA VAL 2 HA VAL 2 1.353 15.436 9.101 14 HB VAL 2 HB VAL 2 1.467 13.673 11.571 15 1HG1 VAL 2 1HG1 VAL 2 -0.206 13.569 8.964 16 2HG1 VAL 2 2HG1 VAL 2 -0.843 13.838 10.630 17 3HG1 VAL 2 3HG1 VAL 2 -0.115 12.257 10.191 18 1HG2 VAL 2 1HG2 VAL 2 2.272 11.938 9.921 19 2HG2 VAL 2 2HG2 VAL 2 3.458 13.260 10.179 20 3HG2 VAL 2 3HG2 VAL 2 2.453 13.232 8.682 21 H SER 3 H SER 3 -0.188 17.023 9.237 22 HA SER 3 HA SER 3 -1.334 17.491 11.901 23 1HB SER 3 2HB SER 3 -2.193 19.595 11.183 24 2HB SER 3 1HB SER 3 -0.418 19.529 10.958 25 HG SER 3 HG SER 3 -1.193 20.388 9.160 26 H HIS 4 H HIS 4 -2.150 16.820 8.480 27 HA HIS 4 HA HIS 4 -4.450 15.355 9.533 28 1HB HIS 4 2HB HIS 4 -4.402 17.078 7.009 29 2HB HIS 4 1HB HIS 4 -5.629 15.806 7.297 30 HD1 HIS 4 1HD HIS 4 -5.035 17.517 10.442 31 HD2 HIS 4 2HD HIS 4 -7.464 17.997 7.071 32 HE1 HIS 4 1HE HIS 4 -6.877 19.122 11.095 33 HE2 HIS 4 2HE HIS 4 -8.369 19.318 9.059 34 H PHE 5 H PHE 5 -5.130 13.578 8.160 35 HA PHE 5 HA PHE 5 -2.800 12.334 6.927 36 1HB PHE 5 2HB PHE 5 -4.280 11.197 8.709 37 2HB PHE 5 1HB PHE 5 -5.576 11.134 7.483 38 HD1 PHE 5 1HD PHE 5 -2.474 9.729 8.676 39 HD2 PHE 5 2HD PHE 5 -5.150 9.815 5.381 40 HE1 PHE 5 1HE PHE 5 -1.441 7.691 7.787 41 HE2 PHE 5 2HE PHE 5 -4.100 7.813 4.467 42 HZ PHE 5 HZ PHE 5 -2.221 6.751 5.655 43 H ASN 6 H ASN 6 -2.664 11.947 4.731 44 HA ASN 6 HA ASN 6 -5.042 12.556 3.098 45 1HB ASN 6 2HB ASN 6 -2.132 13.228 2.428 46 2HB ASN 6 1HB ASN 6 -3.540 13.499 1.356 47 1HD2 ASN 6 1HD2 ASN 6 -4.841 14.606 4.210 48 2HD2 ASN 6 2HD2 ASN 6 -4.227 16.241 4.129 49 H ASP 7 H ASP 7 -5.347 11.157 1.325 50 HA ASP 7 HA ASP 7 -3.517 8.880 1.203 51 1HB ASP 7 2HB ASP 7 -6.364 9.351 0.159 52 2HB ASP 7 1HB ASP 7 -5.400 7.866 -0.188 53 H CYS 8 H CYS 8 -3.623 8.076 -1.362 54 HA CYS 8 HA CYS 8 -2.547 10.366 -2.785 55 1HB CYS 8 2HB CYS 8 -1.370 8.916 -4.150 56 2HB CYS 8 1HB CYS 8 -1.246 8.221 -2.520 57 HA PRO 9 HA PRO 9 -6.098 10.015 -5.495 58 1HB PRO 9 2HB PRO 9 -5.198 11.041 -7.892 59 2HB PRO 9 1HB PRO 9 -5.423 12.074 -6.432 60 1HG PRO 9 2HG PRO 9 -2.804 10.767 -7.377 61 2HG PRO 9 1HG PRO 9 -3.094 12.517 -6.986 62 1HD PRO 9 2HD PRO 9 -2.066 10.730 -5.134 63 2HD PRO 9 1HD PRO 9 -3.235 12.036 -4.620 64 H LEU 10 H LEU 10 -6.858 8.783 -7.369 65 HA LEU 10 HA LEU 10 -5.611 6.293 -7.547 66 1HB LEU 10 2HB LEU 10 -7.415 5.904 -9.347 67 2HB LEU 10 1HB LEU 10 -7.862 6.130 -7.641 68 HG LEU 10 HG LEU 10 -8.624 8.412 -8.054 69 1HD1 LEU 10 1HD1 LEU 10 -7.859 7.925 -11.011 70 2HD1 LEU 10 2HD1 LEU 10 -7.212 9.221 -9.929 71 3HD1 LEU 10 3HD1 LEU 10 -8.937 9.240 -10.429 72 1HD2 LEU 10 1HD2 LEU 10 -10.141 6.446 -8.308 73 2HD2 LEU 10 2HD2 LEU 10 -9.732 6.352 -10.060 74 3HD2 LEU 10 3HD2 LEU 10 -10.607 7.792 -9.426 75 H SER 11 H SER 11 -5.119 9.055 -9.383 76 HA SER 11 HA SER 11 -4.441 8.293 -11.848 77 1HB SER 11 2HB SER 11 -2.936 10.331 -10.114 78 2HB SER 11 1HB SER 11 -3.081 10.364 -11.912 79 HG SER 11 HG SER 11 -4.610 11.713 -10.697 80 H HIS 12 H HIS 12 -2.336 8.266 -12.918 81 HA HIS 12 HA HIS 12 -1.707 6.112 -13.346 82 1HB HIS 12 2HB HIS 12 0.715 6.496 -13.847 83 2HB HIS 12 1HB HIS 12 -0.367 7.825 -14.321 84 HD1 HIS 12 1HD HIS 12 0.117 10.143 -13.352 85 HD2 HIS 12 2HD HIS 12 2.347 7.120 -11.467 86 HE1 HIS 12 1HE HIS 12 1.590 11.261 -11.712 87 HE2 HIS 12 2HE HIS 12 3.052 9.461 -10.706 88 H ASP 13 H ASP 13 -2.403 4.882 -11.433 89 HA ASP 13 HA ASP 13 -0.223 3.796 -9.923 90 1HB ASP 13 2HB ASP 13 -2.540 4.299 -8.977 91 2HB ASP 13 1HB ASP 13 -3.182 2.956 -9.989 92 H GLY 14 H GLY 14 -0.026 1.334 -9.889 93 1HA GLY 14 2HA GLY 14 -0.836 -0.225 -11.973 94 2HA GLY 14 1HA GLY 14 0.652 0.602 -12.555 95 H TYR 15 H TYR 15 1.896 0.536 -9.842 96 HA TYR 15 HA TYR 15 2.885 -2.171 -10.087 97 1HB TYR 15 2HB TYR 15 4.335 -0.010 -9.977 98 2HB TYR 15 1HB TYR 15 3.937 0.039 -8.230 99 HD1 TYR 15 1HD TYR 15 5.540 -1.830 -10.948 100 HD2 TYR 15 2HD TYR 15 4.835 -1.697 -6.767 101 HE1 TYR 15 1HE TYR 15 7.302 -3.504 -10.604 102 HE2 TYR 15 2HE TYR 15 6.569 -3.392 -6.415 103 HH TYR 15 HH TYR 15 7.899 -4.948 -7.482 104 H CYS 16 H CYS 16 1.075 -0.146 -7.793 105 HA CYS 16 HA CYS 16 1.394 -2.139 -5.744 106 1HB CYS 16 2HB CYS 16 1.347 0.465 -5.571 107 2HB CYS 16 1HB CYS 16 -0.423 0.303 -5.613 108 H LEU 17 H LEU 17 0.300 -4.000 -6.046 109 HA LEU 17 HA LEU 17 -2.264 -3.970 -7.347 110 1HB LEU 17 2HB LEU 17 -0.173 -5.998 -6.658 111 2HB LEU 17 1HB LEU 17 -1.849 -6.575 -6.839 112 HG LEU 17 HG LEU 17 -2.021 -5.620 -9.098 113 1HD1 LEU 17 1HD1 LEU 17 -0.382 -3.758 -9.038 114 2HD1 LEU 17 2HD1 LEU 17 0.045 -4.927 -10.340 115 3HD1 LEU 17 3HD1 LEU 17 0.965 -4.931 -8.789 116 1HD2 LEU 17 1HD2 LEU 17 -1.334 -7.984 -8.703 117 2HD2 LEU 17 2HD2 LEU 17 0.402 -7.472 -8.651 118 3HD2 LEU 17 3HD2 LEU 17 -0.542 -7.314 -10.182 119 H HIS 18 H HIS 18 -3.969 -5.298 -6.670 120 HA HIS 18 HA HIS 18 -5.704 -5.595 -5.395 121 1HB HIS 18 2HB HIS 18 -4.512 -7.673 -5.127 122 2HB HIS 18 1HB HIS 18 -3.574 -6.989 -3.765 123 HD1 HIS 18 1HD HIS 18 -7.374 -7.350 -4.373 124 HD2 HIS 18 2HD HIS 18 -4.431 -8.108 -1.480 125 HE1 HIS 18 1HE HIS 18 -8.534 -8.418 -2.419 126 HE2 HIS 18 2HE HIS 18 -6.734 -8.771 -0.648 127 H ASP 19 H ASP 19 -5.530 -3.154 -5.052 128 HA ASP 19 HA ASP 19 -6.277 -1.533 -3.880 129 1HB ASP 19 2HB ASP 19 -7.970 -3.428 -3.432 130 2HB ASP 19 1HB ASP 19 -7.275 -3.517 -1.776 131 H GLY 20 H GLY 20 -3.738 -1.530 -3.653 132 1HA GLY 20 2HA GLY 20 -2.691 -1.917 -1.074 133 2HA GLY 20 1HA GLY 20 -1.930 -1.078 -2.465 134 H VAL 21 H VAL 21 -1.588 -0.414 0.301 135 HA VAL 21 HA VAL 21 -3.391 1.719 0.899 136 HB VAL 21 HB VAL 21 -0.985 0.762 2.468 137 1HG1 VAL 21 1HG1 VAL 21 -3.545 2.355 3.195 138 2HG1 VAL 21 2HG1 VAL 21 -1.868 3.024 3.156 139 3HG1 VAL 21 3HG1 VAL 21 -2.314 1.767 4.362 140 1HG2 VAL 21 1HG2 VAL 21 -3.935 -0.152 2.500 141 2HG2 VAL 21 2HG2 VAL 21 -2.716 -0.541 3.760 142 3HG2 VAL 21 3HG2 VAL 21 -2.499 -1.170 2.098 143 H CYS 22 H CYS 22 -2.941 3.121 -0.773 144 HA CYS 22 HA CYS 22 -0.276 4.189 -1.110 145 1HB CYS 22 2HB CYS 22 -1.628 3.331 -2.995 146 2HB CYS 22 1HB CYS 22 -2.915 4.487 -2.614 147 H MET 23 H MET 23 0.409 6.020 -0.155 148 HA MET 23 HA MET 23 -1.590 8.100 0.331 149 1HB MET 23 2HB MET 23 -0.639 8.646 2.477 150 2HB MET 23 1HB MET 23 -1.237 6.967 2.438 151 1HG MET 23 2HG MET 23 1.116 6.138 2.117 152 2HG MET 23 1HG MET 23 1.712 7.818 2.222 153 1HE MET 23 1HE MET 23 3.345 7.230 3.997 154 2HE MET 23 2HE MET 23 2.831 5.511 3.963 155 3HE MET 23 3HE MET 23 2.995 6.366 5.533 156 H TYR 24 H TYR 24 -1.063 10.166 0.083 157 HA TYR 24 HA TYR 24 1.719 10.886 -0.329 158 1HB TYR 24 2HB TYR 24 0.915 10.941 -2.650 159 2HB TYR 24 1HB TYR 24 -0.673 11.607 -2.112 160 HD1 TYR 24 1HD TYR 24 -0.840 13.338 -3.433 161 HD2 TYR 24 2HD TYR 24 2.702 12.970 -1.095 162 HE1 TYR 24 1HE TYR 24 -0.246 15.605 -3.993 163 HE2 TYR 24 2HE TYR 24 3.343 15.227 -1.710 164 HH TYR 24 HH TYR 24 1.156 17.435 -3.053 165 H ILE 25 H ILE 25 2.036 12.028 1.599 166 HA ILE 25 HA ILE 25 -0.128 13.793 2.447 167 HB ILE 25 HB ILE 25 0.286 12.300 4.102 168 1HG1 ILE 25 2HG1 ILE 25 2.179 14.581 4.774 169 2HG1 ILE 25 1HG1 ILE 25 0.410 14.845 4.547 170 1HG2 ILE 25 1HG2 ILE 25 2.275 11.115 3.335 171 2HG2 ILE 25 2HG2 ILE 25 2.609 11.771 4.961 172 3HG2 ILE 25 3HG2 ILE 25 3.298 12.589 3.516 173 1HD1 ILE 25 1HD1 ILE 25 -0.126 13.188 6.319 174 2HD1 ILE 25 2HD1 ILE 25 0.893 14.524 6.970 175 3HD1 ILE 25 3HD1 ILE 25 1.628 12.906 6.622 176 H GLU 26 H GLU 26 0.054 15.711 1.577 177 HA GLU 26 HA GLU 26 2.330 16.508 0.225 178 1HB GLU 26 2HB GLU 26 0.025 17.027 -0.374 179 2HB GLU 26 1HB GLU 26 -0.128 18.141 1.016 180 1HG GLU 26 2HG GLU 26 1.428 19.724 0.039 181 2HG GLU 26 1HG GLU 26 2.116 18.489 -1.062 182 H ALA 27 H ALA 27 1.368 17.197 3.533 183 HA ALA 27 HA ALA 27 3.142 19.223 4.107 184 1HB ALA 27 1HB ALA 27 2.942 18.345 6.455 185 2HB ALA 27 2HB ALA 27 2.251 16.811 5.823 186 3HB ALA 27 3HB ALA 27 1.350 18.357 5.626 187 H LEU 28 H LEU 28 3.748 15.721 4.005 188 HA LEU 28 HA LEU 28 6.487 16.169 4.851 189 1HB LEU 28 2HB LEU 28 5.134 13.547 4.081 190 2HB LEU 28 1HB LEU 28 6.720 13.746 4.880 191 HG LEU 28 HG LEU 28 3.956 14.382 6.051 192 1HD1 LEU 28 1HD1 LEU 28 6.115 12.349 6.888 193 2HD1 LEU 28 2HD1 LEU 28 4.619 11.950 5.957 194 3HD1 LEU 28 3HD1 LEU 28 4.496 12.570 7.641 195 1HD2 LEU 28 1HD2 LEU 28 5.189 14.861 8.195 196 2HD2 LEU 28 2HD2 LEU 28 5.461 16.102 6.910 197 3HD2 LEU 28 3HD2 LEU 28 6.742 14.865 7.276 198 H ASP 29 H ASP 29 4.671 15.572 1.972 199 HA ASP 29 HA ASP 29 5.065 15.926 -0.086 200 1HB ASP 29 2HB ASP 29 6.454 17.777 0.781 201 2HB ASP 29 1HB ASP 29 7.901 16.728 0.685 202 H LYS 30 H LYS 30 6.056 13.365 1.435 203 HA LYS 30 HA LYS 30 7.064 12.057 -0.995 204 1HB LYS 30 2HB LYS 30 7.527 11.231 1.927 205 2HB LYS 30 1HB LYS 30 8.180 10.404 0.485 206 1HG LYS 30 2HG LYS 30 8.983 13.138 1.597 207 2HG LYS 30 1HG LYS 30 9.934 11.625 1.503 208 1HD LYS 30 2HD LYS 30 9.614 11.787 -1.084 209 2HD LYS 30 1HD LYS 30 9.076 13.474 -0.784 210 1HE LYS 30 2HE LYS 30 11.835 12.250 -0.107 211 2HE LYS 30 1HE LYS 30 11.466 13.400 -1.451 212 1HZ LYS 30 1HZ LYS 30 12.431 14.503 0.421 213 2HZ LYS 30 2HZ LYS 30 11.270 13.925 1.475 214 3HZ LYS 30 3HZ LYS 30 10.851 15.060 0.277 215 H TYR 31 H TYR 31 6.659 9.695 -1.057 216 HA TYR 31 HA TYR 31 3.801 9.323 -0.503 217 1HB TYR 31 2HB TYR 31 5.264 7.950 -2.789 218 2HB TYR 31 1HB TYR 31 3.521 8.335 -2.632 219 HD1 TYR 31 1HD TYR 31 5.890 8.808 -4.717 220 HD2 TYR 31 2HD TYR 31 3.661 11.254 -2.082 221 HE1 TYR 31 1HE TYR 31 6.342 10.756 -6.159 222 HE2 TYR 31 2HE TYR 31 4.114 13.213 -3.499 223 HH TYR 31 HH TYR 31 5.503 13.995 -5.065 224 H ALA 32 H ALA 32 3.104 7.028 -0.413 225 HA ALA 32 HA ALA 32 5.088 5.117 -0.877 226 1HB ALA 32 1HB ALA 32 4.915 3.847 1.316 227 2HB ALA 32 2HB ALA 32 3.877 5.173 1.971 228 3HB ALA 32 3HB ALA 32 5.602 5.483 1.583 229 H CYS 33 H CYS 33 4.189 3.001 -1.249 230 HA CYS 33 HA CYS 33 1.337 2.771 -0.656 231 1HB CYS 33 2HB CYS 33 1.731 3.027 -3.158 232 2HB CYS 33 1HB CYS 33 2.616 1.482 -3.110 233 H ASN 34 H ASN 34 1.060 1.256 0.884 234 HA ASN 34 HA ASN 34 3.162 -0.762 1.115 235 1HB ASN 34 2HB ASN 34 2.293 0.924 3.010 236 2HB ASN 34 1HB ASN 34 1.049 -0.333 3.265 237 1HD2 ASN 34 1HD2 ASN 34 1.742 -1.674 4.989 238 2HD2 ASN 34 2HD2 ASN 34 3.400 -2.058 5.321 239 H CYS 35 H CYS 35 2.709 -2.952 1.407 240 HA CYS 35 HA CYS 35 0.116 -3.800 0.356 241 1HB CYS 35 2HB CYS 35 2.428 -4.461 -0.711 242 2HB CYS 35 1HB CYS 35 2.595 -5.554 0.690 243 H VAL 36 H VAL 36 -0.550 -6.013 1.336 244 HA VAL 36 HA VAL 36 -0.768 -5.539 4.167 245 HB VAL 36 HB VAL 36 -2.082 -7.592 2.385 246 1HG1 VAL 36 1HG1 VAL 36 -3.890 -7.509 4.156 247 2HG1 VAL 36 2HG1 VAL 36 -2.785 -6.572 5.217 248 3HG1 VAL 36 3HG1 VAL 36 -2.380 -8.272 4.713 249 1HG2 VAL 36 1HG2 VAL 36 -2.959 -4.748 3.233 250 2HG2 VAL 36 2HG2 VAL 36 -4.019 -5.968 2.442 251 3HG2 VAL 36 3HG2 VAL 36 -2.624 -5.310 1.546 252 H VAL 37 H VAL 37 -0.651 -7.422 5.663 253 HA VAL 37 HA VAL 37 1.902 -8.629 5.414 254 HB VAL 37 HB VAL 37 1.193 -7.748 7.497 255 1HG1 VAL 37 1HG1 VAL 37 -1.295 -8.133 7.313 256 2HG1 VAL 37 2HG1 VAL 37 -0.606 -8.775 8.839 257 3HG1 VAL 37 3HG1 VAL 37 -1.022 -9.906 7.511 258 1HG2 VAL 37 1HG2 VAL 37 1.390 -10.823 7.685 259 2HG2 VAL 37 2HG2 VAL 37 1.807 -9.611 8.944 260 3HG2 VAL 37 3HG2 VAL 37 2.787 -9.710 7.437 261 H GLY 38 H GLY 38 2.484 -10.630 4.899 262 1HA GLY 38 2HA GLY 38 2.290 -12.818 4.498 263 2HA GLY 38 1HA GLY 38 0.506 -12.717 4.675 264 H TYR 39 H TYR 39 2.009 -10.432 2.570 265 HA TYR 39 HA TYR 39 1.344 -12.031 0.206 266 1HB TYR 39 2HB TYR 39 0.842 -9.037 0.728 267 2HB TYR 39 1HB TYR 39 0.703 -9.824 -0.876 268 HD1 TYR 39 1HD TYR 39 -0.808 -9.577 2.473 269 HD2 TYR 39 2HD TYR 39 -1.059 -11.336 -1.381 270 HE1 TYR 39 1HE TYR 39 -3.123 -10.188 2.918 271 HE2 TYR 39 2HE TYR 39 -3.375 -11.971 -0.944 272 HH TYR 39 HH TYR 39 -5.054 -12.010 0.562 273 H ILE 40 H ILE 40 2.919 -12.125 -1.263 274 HA ILE 40 HA ILE 40 5.312 -10.509 -0.880 275 HB ILE 40 HB ILE 40 6.742 -12.504 -1.111 276 1HG1 ILE 40 2HG1 ILE 40 4.096 -14.016 -0.660 277 2HG1 ILE 40 1HG1 ILE 40 5.111 -14.055 -2.149 278 1HG2 ILE 40 1HG2 ILE 40 6.215 -11.346 1.058 279 2HG2 ILE 40 2HG2 ILE 40 6.613 -13.087 1.235 280 3HG2 ILE 40 3HG2 ILE 40 4.901 -12.545 1.346 281 1HD1 ILE 40 1HD1 ILE 40 5.875 -15.141 0.635 282 2HD1 ILE 40 2HD1 ILE 40 7.022 -15.014 -0.739 283 3HD1 ILE 40 3HD1 ILE 40 5.564 -16.078 -0.853 284 H GLY 41 H GLY 41 6.943 -11.416 -2.789 285 1HA GLY 41 2HA GLY 41 7.111 -11.956 -4.994 286 2HA GLY 41 1HA GLY 41 5.365 -11.618 -5.253 287 H GLU 42 H GLU 42 7.116 -10.575 -7.048 288 HA GLU 42 HA GLU 42 8.547 -8.378 -6.387 289 1HB GLU 42 2HB GLU 42 8.781 -9.713 -8.426 290 2HB GLU 42 1HB GLU 42 7.196 -9.142 -9.026 291 1HG GLU 42 2HG GLU 42 8.067 -6.814 -9.218 292 2HG GLU 42 1HG GLU 42 9.626 -7.314 -8.464 293 H ARG 43 H ARG 43 5.285 -8.300 -7.838 294 HA ARG 43 HA ARG 43 4.969 -5.595 -6.706 295 1HB ARG 43 2HB ARG 43 3.236 -5.275 -8.467 296 2HB ARG 43 1HB ARG 43 4.897 -5.463 -9.080 297 1HG ARG 43 2HG ARG 43 4.474 -7.822 -9.720 298 2HG ARG 43 1HG ARG 43 2.800 -7.715 -9.062 299 1HD ARG 43 2HD ARG 43 2.253 -5.938 -10.735 300 2HD ARG 43 1HD ARG 43 3.973 -5.941 -11.315 301 HE ARG 43 HE ARG 43 2.978 -8.638 -11.479 302 1HH1 ARG 43 1HH1 ARG 43 2.497 -5.431 -13.011 303 2HH1 ARG 43 2HH1 ARG 43 1.826 -6.101 -14.452 304 1HH2 ARG 43 1HH2 ARG 43 2.363 -9.482 -13.585 305 2HH2 ARG 43 2HH2 ARG 43 1.999 -8.360 -14.866 306 H CYS 44 H CYS 44 4.768 -7.865 -5.115 307 HA CYS 44 HA CYS 44 3.539 -8.815 -3.653 308 1HB CYS 44 2HB CYS 44 3.396 -6.260 -3.253 309 2HB CYS 44 1HB CYS 44 1.677 -6.426 -3.684 310 H GLN 45 H GLN 45 2.788 -9.939 -6.049 311 HA GLN 45 HA GLN 45 -0.102 -10.307 -5.720 312 1HB GLN 45 2HB GLN 45 -0.085 -11.313 -7.933 313 2HB GLN 45 1HB GLN 45 0.402 -9.589 -7.871 314 1HG GLN 45 2HG GLN 45 2.841 -10.332 -8.095 315 2HG GLN 45 1HG GLN 45 2.248 -12.013 -8.334 316 1HE2 GLN 45 1HE2 GLN 45 -0.202 -11.060 -9.851 317 2HE2 GLN 45 2HE2 GLN 45 0.378 -10.460 -11.383 318 H TYR 46 H TYR 46 2.481 -11.906 -4.401 319 HA TYR 46 HA TYR 46 1.156 -14.507 -4.827 320 1HB TYR 46 2HB TYR 46 3.972 -13.847 -3.856 321 2HB TYR 46 1HB TYR 46 3.292 -15.507 -4.035 322 HD1 TYR 46 1HD TYR 46 2.052 -14.227 -6.991 323 HD2 TYR 46 2HD TYR 46 5.751 -14.928 -4.990 324 HE1 TYR 46 1HE TYR 46 3.163 -14.464 -9.119 325 HE2 TYR 46 2HE TYR 46 6.868 -15.149 -7.126 326 HH TYR 46 HH TYR 46 6.628 -15.193 -9.368 327 H ARG 47 H ARG 47 1.141 -15.914 -2.846 328 HA ARG 47 HA ARG 47 0.725 -14.246 -0.462 329 1HB ARG 47 2HB ARG 47 -1.081 -15.844 0.161 330 2HB ARG 47 1HB ARG 47 -1.405 -14.797 -1.244 331 1HG ARG 47 2HG ARG 47 -0.831 -16.679 -2.803 332 2HG ARG 47 1HG ARG 47 -0.609 -17.760 -1.393 333 1HD ARG 47 2HD ARG 47 -3.032 -17.440 -0.779 334 2HD ARG 47 1HD ARG 47 -3.201 -16.244 -2.132 335 HE ARG 47 HE ARG 47 -2.261 -19.083 -2.664 336 1HH1 ARG 47 1HH1 ARG 47 -5.043 -16.872 -2.900 337 2HH1 ARG 47 2HH1 ARG 47 -5.691 -17.687 -4.275 338 1HH2 ARG 47 1HH2 ARG 47 -2.976 -19.893 -4.712 339 2HH2 ARG 47 2HH2 ARG 47 -4.538 -19.400 -5.275 340 H ASP 48 H ASP 48 1.450 -14.916 1.465 341 HA ASP 48 HA ASP 48 3.488 -16.969 1.342 342 1HB ASP 48 2HB ASP 48 3.916 -14.565 2.039 343 2HB ASP 48 1HB ASP 48 2.863 -14.841 3.469 344 H LEU 49 H LEU 49 2.825 -19.005 1.898 345 HA LEU 49 HA LEU 49 0.595 -19.290 3.714 346 1HB LEU 49 2HB LEU 49 2.016 -21.019 1.716 347 2HB LEU 49 1HB LEU 49 1.184 -21.835 3.062 348 HG LEU 49 HG LEU 49 -0.159 -21.694 1.035 349 1HD1 LEU 49 1HD1 LEU 49 -1.186 -21.970 3.292 350 2HD1 LEU 49 2HD1 LEU 49 -2.273 -21.142 2.131 351 3HD1 LEU 49 3HD1 LEU 49 -1.416 -20.188 3.410 352 1HD2 LEU 49 1HD2 LEU 49 -1.275 -19.646 0.292 353 2HD2 LEU 49 2HD2 LEU 49 0.507 -19.434 0.186 354 3HD2 LEU 49 3HD2 LEU 49 -0.412 -18.661 1.532 355 H LYS 50 H LYS 50 3.926 -19.009 4.210 356 HA LYS 50 HA LYS 50 4.156 -21.034 6.184 357 1HB LYS 50 2HB LYS 50 5.866 -18.659 5.378 358 2HB LYS 50 1HB LYS 50 6.199 -19.560 6.891 359 1HG LYS 50 2HG LYS 50 7.614 -20.515 5.367 360 2HG LYS 50 1HG LYS 50 6.287 -21.705 5.554 361 1HD LYS 50 2HD LYS 50 5.332 -21.002 3.351 362 2HD LYS 50 1HD LYS 50 6.461 -19.612 3.307 363 1HE LYS 50 2HE LYS 50 7.403 -21.208 1.798 364 2HE LYS 50 1HE LYS 50 8.416 -21.245 3.302 365 1HZ LYS 50 1HZ LYS 50 7.128 -23.250 3.980 366 2HZ LYS 50 2HZ LYS 50 7.963 -23.432 2.527 367 3HZ LYS 50 3HZ LYS 50 6.278 -23.168 2.527 368 H TRP 51 H TRP 51 2.833 -17.834 6.186 369 HA TRP 51 HA TRP 51 2.887 -17.494 9.013 370 1HB TRP 51 2HB TRP 51 2.891 -15.531 7.758 371 2HB TRP 51 1HB TRP 51 1.750 -16.182 6.535 372 HD1 TRP 51 HD TRP 51 1.374 -15.346 10.340 373 HE1 TRP 51 1HE TRP 51 -0.873 -13.996 10.577 374 HE3 TRP 51 3HE TRP 51 0.094 -15.033 5.460 375 HZ2 TRP 51 2HZ TRP 51 -3.019 -13.316 8.916 376 HZ3 TRP 51 3HZ TRP 51 -1.998 -13.910 4.840 377 HH2 TRP 51 HH TRP 51 -3.550 -13.121 6.532 378 H TRP 52 H TRP 52 0.717 -19.060 6.726 379 HA TRP 52 HA TRP 52 -1.461 -19.176 8.574 380 1HB TRP 52 2HB TRP 52 -0.904 -20.599 5.921 381 2HB TRP 52 1HB TRP 52 -2.411 -20.828 6.868 382 HD1 TRP 52 HD TRP 52 -0.525 -17.818 5.168 383 HE1 TRP 52 1HE TRP 52 -2.282 -16.029 4.667 384 HE3 TRP 52 3HE TRP 52 -4.630 -20.171 7.023 385 HZ2 TRP 52 2HZ TRP 52 -5.085 -15.745 4.824 386 HZ3 TRP 52 3HZ TRP 52 -6.797 -19.058 6.864 387 HH2 TRP 52 HH TRP 52 -7.027 -16.890 5.786 388 H GLU 53 H GLU 53 0.835 -21.581 7.296 389 HA GLU 53 HA GLU 53 0.102 -23.377 9.493 390 1HB GLU 53 2HB GLU 53 1.649 -24.006 6.938 391 2HB GLU 53 1HB GLU 53 1.091 -25.156 8.195 392 1HG GLU 53 2HG GLU 53 -1.313 -24.406 7.689 393 2HG GLU 53 1HG GLU 53 -0.659 -23.463 6.306 394 H LEU 54 H LEU 54 1.338 -21.617 10.758 395 HA LEU 54 HA LEU 54 4.209 -22.095 10.749 396 1HB LEU 54 2HB LEU 54 2.998 -19.796 10.772 397 2HB LEU 54 1HB LEU 54 2.661 -20.123 12.490 398 HG LEU 54 HG LEU 54 5.460 -20.126 11.204 399 1HD1 LEU 54 1HD1 LEU 54 5.724 -17.817 12.090 400 2HD1 LEU 54 2HD1 LEU 54 4.011 -17.837 12.677 401 3HD1 LEU 54 3HD1 LEU 54 4.369 -17.916 10.915 402 1HD2 LEU 54 1HD2 LEU 54 5.446 -21.324 13.387 403 2HD2 LEU 54 2HD2 LEU 54 4.602 -19.937 14.169 404 3HD2 LEU 54 3HD2 LEU 54 6.292 -19.746 13.549 Start of MODEL 9 1 1H VAL 1 1HT VAL 1 8.074 14.184 7.385 2 2H VAL 1 2HT VAL 1 9.569 13.671 7.916 3 3H VAL 1 3HT VAL 1 8.770 14.887 8.741 4 HA VAL 1 HA VAL 1 8.702 12.090 9.033 5 HB VAL 1 HB VAL 1 7.562 12.452 11.113 6 1HG1 VAL 1 1HG1 VAL 1 9.210 13.884 12.195 7 2HG1 VAL 1 2HG1 VAL 1 9.702 14.623 10.641 8 3HG1 VAL 1 3HG1 VAL 1 10.022 12.874 10.949 9 1HG2 VAL 1 1HG2 VAL 1 6.876 14.740 11.825 10 2HG2 VAL 1 2HG2 VAL 1 5.866 14.150 10.471 11 3HG2 VAL 1 3HG2 VAL 1 7.151 15.375 10.175 12 H VAL 2 H VAL 2 6.892 10.622 9.457 13 HA VAL 2 HA VAL 2 4.905 11.004 7.434 14 HB VAL 2 HB VAL 2 5.570 8.654 9.207 15 1HG1 VAL 2 1HG1 VAL 2 4.206 7.370 7.519 16 2HG1 VAL 2 2HG1 VAL 2 3.662 8.921 6.779 17 3HG1 VAL 2 3HG1 VAL 2 3.192 8.495 8.469 18 1HG2 VAL 2 1HG2 VAL 2 7.404 9.258 7.589 19 2HG2 VAL 2 2HG2 VAL 2 6.198 9.297 6.243 20 3HG2 VAL 2 3HG2 VAL 2 6.561 7.757 7.090 21 H SER 3 H SER 3 2.894 11.569 7.707 22 HA SER 3 HA SER 3 1.500 10.910 10.167 23 1HB SER 3 2HB SER 3 1.277 13.572 8.634 24 2HB SER 3 1HB SER 3 0.061 12.995 9.832 25 HG SER 3 HG SER 3 1.686 14.461 10.609 26 H HIS 4 H HIS 4 -0.944 10.869 9.538 27 HA HIS 4 HA HIS 4 -1.020 9.377 7.096 28 1HB HIS 4 2HB HIS 4 -2.107 8.890 9.470 29 2HB HIS 4 1HB HIS 4 -3.455 9.862 8.836 30 HD1 HIS 4 1HD HIS 4 -1.263 6.867 7.831 31 HD2 HIS 4 2HD HIS 4 -5.229 8.193 7.384 32 HE1 HIS 4 1HE HIS 4 -2.516 5.023 6.725 33 HE2 HIS 4 2HE HIS 4 -4.871 5.826 6.418 34 H PHE 5 H PHE 5 -1.835 9.905 5.164 35 HA PHE 5 HA PHE 5 -3.525 12.290 4.988 36 1HB PHE 5 2HB PHE 5 -1.183 11.582 3.122 37 2HB PHE 5 1HB PHE 5 -2.348 12.934 2.893 38 HD1 PHE 5 1HD PHE 5 -2.258 14.898 4.307 39 HD2 PHE 5 2HD PHE 5 0.488 11.699 4.809 40 HE1 PHE 5 1HE PHE 5 -0.822 16.343 5.663 41 HE2 PHE 5 2HE PHE 5 1.914 13.128 6.182 42 HZ PHE 5 HZ PHE 5 1.266 15.468 6.615 43 H ASN 6 H ASN 6 -4.722 12.426 3.006 44 HA ASN 6 HA ASN 6 -5.603 9.752 2.109 45 1HB ASN 6 2HB ASN 6 -7.020 12.438 2.568 46 2HB ASN 6 1HB ASN 6 -7.815 11.073 1.717 47 1HD2 ASN 6 1HD2 ASN 6 -8.750 9.427 2.932 48 2HD2 ASN 6 2HD2 ASN 6 -8.782 9.455 4.674 49 H ASP 7 H ASP 7 -4.570 9.511 0.072 50 HA ASP 7 HA ASP 7 -6.064 10.883 -1.850 51 1HB ASP 7 2HB ASP 7 -4.044 12.507 -1.313 52 2HB ASP 7 1HB ASP 7 -3.047 11.335 -2.210 53 H CYS 8 H CYS 8 -6.765 8.890 -2.632 54 HA CYS 8 HA CYS 8 -4.766 7.538 -4.166 55 1HB CYS 8 2HB CYS 8 -4.750 6.580 -1.749 56 2HB CYS 8 1HB CYS 8 -6.270 5.780 -2.182 57 HA PRO 9 HA PRO 9 -8.797 6.996 -6.098 58 1HB PRO 9 2HB PRO 9 -8.010 6.592 -8.703 59 2HB PRO 9 1HB PRO 9 -7.971 8.226 -7.931 60 1HG PRO 9 2HG PRO 9 -5.649 6.243 -8.230 61 2HG PRO 9 1HG PRO 9 -5.675 8.006 -8.664 62 1HD PRO 9 2HD PRO 9 -4.707 7.045 -6.230 63 2HD PRO 9 1HD PRO 9 -5.565 8.655 -6.350 64 H LEU 10 H LEU 10 -9.980 5.180 -6.236 65 HA LEU 10 HA LEU 10 -8.776 2.602 -6.378 66 1HB LEU 10 2HB LEU 10 -11.673 3.565 -6.619 67 2HB LEU 10 1HB LEU 10 -11.183 1.855 -6.710 68 HG LEU 10 HG LEU 10 -12.054 2.243 -4.577 69 1HD1 LEU 10 1HD1 LEU 10 -10.254 1.476 -3.099 70 2HD1 LEU 10 2HD1 LEU 10 -8.997 2.078 -4.232 71 3HD1 LEU 10 3HD1 LEU 10 -10.069 0.711 -4.727 72 1HD2 LEU 10 1HD2 LEU 10 -11.277 3.807 -2.892 73 2HD2 LEU 10 2HD2 LEU 10 -11.737 4.721 -4.373 74 3HD2 LEU 10 3HD2 LEU 10 -9.994 4.445 -3.973 75 H SER 11 H SER 11 -10.084 4.896 -8.624 76 HA SER 11 HA SER 11 -10.129 3.144 -10.849 77 1HB SER 11 2HB SER 11 -11.457 5.351 -10.542 78 2HB SER 11 1HB SER 11 -9.956 6.189 -11.032 79 HG SER 11 HG SER 11 -11.667 4.472 -12.436 80 H HIS 12 H HIS 12 -8.857 4.128 -12.856 81 HA HIS 12 HA HIS 12 -7.259 2.408 -13.215 82 1HB HIS 12 2HB HIS 12 -7.453 4.491 -14.679 83 2HB HIS 12 1HB HIS 12 -5.981 5.099 -13.914 84 HD1 HIS 12 1HD HIS 12 -4.299 2.265 -14.119 85 HD2 HIS 12 2HD HIS 12 -6.489 4.198 -17.144 86 HE1 HIS 12 1HE HIS 12 -3.353 1.516 -16.281 87 HE2 HIS 12 2HE HIS 12 -4.634 2.747 -18.094 88 H ASP 13 H ASP 13 -6.248 1.286 -11.593 89 HA ASP 13 HA ASP 13 -4.256 2.370 -10.001 90 1HB ASP 13 2HB ASP 13 -3.975 -0.068 -9.352 91 2HB ASP 13 1HB ASP 13 -5.634 0.598 -9.189 92 H GLY 14 H GLY 14 -2.050 1.590 -9.833 93 1HA GLY 14 2HA GLY 14 -0.752 0.863 -12.308 94 2HA GLY 14 1HA GLY 14 -0.622 2.595 -11.826 95 H TYR 15 H TYR 15 0.054 2.842 -9.372 96 HA TYR 15 HA TYR 15 2.532 1.481 -9.197 97 1HB TYR 15 2HB TYR 15 2.226 3.877 -8.554 98 2HB TYR 15 1HB TYR 15 1.121 3.376 -7.250 99 HD1 TYR 15 1HD TYR 15 2.255 4.149 -5.428 100 HD2 TYR 15 2HD TYR 15 4.395 1.751 -8.215 101 HE1 TYR 15 1HE TYR 15 4.102 3.924 -3.833 102 HE2 TYR 15 2HE TYR 15 6.189 1.471 -6.608 103 HH TYR 15 HH TYR 15 7.037 2.113 -4.612 104 H CYS 16 H CYS 16 -0.510 1.369 -7.237 105 HA CYS 16 HA CYS 16 0.802 -0.615 -5.560 106 1HB CYS 16 2HB CYS 16 -1.962 0.606 -5.210 107 2HB CYS 16 1HB CYS 16 -1.031 -0.362 -4.019 108 H LEU 17 H LEU 17 0.124 -2.665 -5.281 109 HA LEU 17 HA LEU 17 -1.768 -3.716 -7.266 110 1HB LEU 17 2HB LEU 17 0.422 -5.203 -5.728 111 2HB LEU 17 1HB LEU 17 -0.695 -5.882 -6.951 112 HG LEU 17 HG LEU 17 1.235 -5.705 -8.115 113 1HD1 LEU 17 1HD1 LEU 17 -0.614 -4.526 -9.357 114 2HD1 LEU 17 2HD1 LEU 17 1.047 -4.031 -9.852 115 3HD1 LEU 17 3HD1 LEU 17 0.064 -2.953 -8.799 116 1HD2 LEU 17 1HD2 LEU 17 2.615 -4.512 -6.432 117 2HD2 LEU 17 2HD2 LEU 17 1.906 -2.935 -6.955 118 3HD2 LEU 17 3HD2 LEU 17 2.896 -3.896 -8.103 119 H HIS 18 H HIS 18 -3.140 -5.346 -6.560 120 HA HIS 18 HA HIS 18 -4.926 -5.875 -5.359 121 1HB HIS 18 2HB HIS 18 -2.737 -6.289 -3.288 122 2HB HIS 18 1HB HIS 18 -4.426 -6.782 -2.962 123 HD1 HIS 18 1HD HIS 18 -5.571 -8.408 -4.677 124 HD2 HIS 18 2HD HIS 18 -1.401 -8.526 -4.334 125 HE1 HIS 18 1HE HIS 18 -4.819 -10.635 -5.604 126 HE2 HIS 18 2HE HIS 18 -2.356 -10.755 -5.194 127 H ASP 19 H ASP 19 -4.793 -3.055 -5.443 128 HA ASP 19 HA ASP 19 -5.604 -1.291 -4.555 129 1HB ASP 19 2HB ASP 19 -7.474 -3.180 -3.060 130 2HB ASP 19 1HB ASP 19 -7.740 -1.418 -3.326 131 H GLY 20 H GLY 20 -3.307 -1.543 -3.491 132 1HA GLY 20 2HA GLY 20 -3.285 -1.415 -0.686 133 2HA GLY 20 1HA GLY 20 -2.019 -0.837 -1.824 134 H VAL 21 H VAL 21 -2.163 0.525 0.449 135 HA VAL 21 HA VAL 21 -4.074 2.681 0.182 136 HB VAL 21 HB VAL 21 -2.197 1.922 2.441 137 1HG1 VAL 21 1HG1 VAL 21 -4.510 3.978 2.250 138 2HG1 VAL 21 2HG1 VAL 21 -2.757 4.362 2.477 139 3HG1 VAL 21 3HG1 VAL 21 -3.657 3.494 3.759 140 1HG2 VAL 21 1HG2 VAL 21 -4.337 1.169 3.545 141 2HG2 VAL 21 2HG2 VAL 21 -3.907 0.165 2.124 142 3HG2 VAL 21 3HG2 VAL 21 -5.205 1.411 1.987 143 H CYS 22 H CYS 22 -3.243 4.160 -1.312 144 HA CYS 22 HA CYS 22 -0.441 4.901 -0.952 145 1HB CYS 22 2HB CYS 22 -0.365 5.711 -3.107 146 2HB CYS 22 1HB CYS 22 -1.165 4.125 -3.154 147 H MET 23 H MET 23 0.278 7.025 -0.688 148 HA MET 23 HA MET 23 -1.584 9.112 -0.945 149 1HB MET 23 2HB MET 23 -1.417 10.125 1.299 150 2HB MET 23 1HB MET 23 -2.327 8.618 1.294 151 1HG MET 23 2HG MET 23 0.640 8.460 1.977 152 2HG MET 23 1HG MET 23 -0.464 9.240 3.131 153 1HE MET 23 1HE MET 23 0.205 7.758 4.927 154 2HE MET 23 2HE MET 23 1.297 6.775 3.896 155 3HE MET 23 3HE MET 23 0.102 5.967 4.949 156 H TYR 24 H TYR 24 -0.547 11.237 -0.259 157 HA TYR 24 HA TYR 24 2.318 11.276 -0.851 158 1HB TYR 24 2HB TYR 24 1.375 12.543 -2.592 159 2HB TYR 24 1HB TYR 24 -0.093 12.909 -1.633 160 HD1 TYR 24 1HD TYR 24 -0.453 14.910 -0.820 161 HD2 TYR 24 2HD TYR 24 3.553 13.799 -1.754 162 HE1 TYR 24 1HE TYR 24 0.259 17.173 -0.399 163 HE2 TYR 24 2HE TYR 24 4.287 16.079 -1.325 164 HH TYR 24 HH TYR 24 2.026 18.603 -0.193 165 H ILE 25 H ILE 25 3.672 12.074 0.776 166 HA ILE 25 HA ILE 25 2.329 12.697 3.271 167 HB ILE 25 HB ILE 25 5.194 11.902 2.665 168 1HG1 ILE 25 2HG1 ILE 25 3.798 10.024 1.999 169 2HG1 ILE 25 1HG1 ILE 25 4.687 9.689 3.500 170 1HG2 ILE 25 1HG2 ILE 25 5.129 11.389 5.157 171 2HG2 ILE 25 2HG2 ILE 25 3.491 12.129 5.235 172 3HG2 ILE 25 3HG2 ILE 25 4.922 13.148 4.787 173 1HD1 ILE 25 1HD1 ILE 25 2.592 10.101 4.859 174 2HD1 ILE 25 2HD1 ILE 25 2.397 8.793 3.648 175 3HD1 ILE 25 3HD1 ILE 25 1.689 10.415 3.325 176 H GLU 26 H GLU 26 2.110 14.860 3.578 177 HA GLU 26 HA GLU 26 3.309 16.654 1.940 178 1HB GLU 26 2HB GLU 26 1.960 17.091 4.649 179 2HB GLU 26 1HB GLU 26 2.401 18.405 3.520 180 1HG GLU 26 2HG GLU 26 1.006 17.374 1.732 181 2HG GLU 26 1HG GLU 26 0.429 16.118 2.885 182 H ALA 27 H ALA 27 4.428 15.955 5.297 183 HA ALA 27 HA ALA 27 6.340 17.988 5.204 184 1HB ALA 27 1HB ALA 27 6.317 15.418 6.872 185 2HB ALA 27 2HB ALA 27 5.490 16.955 7.308 186 3HB ALA 27 3HB ALA 27 7.281 16.909 7.217 187 H LEU 28 H LEU 28 6.472 14.715 3.886 188 HA LEU 28 HA LEU 28 9.354 14.876 3.645 189 1HB LEU 28 2HB LEU 28 7.345 12.726 2.935 190 2HB LEU 28 1HB LEU 28 9.007 12.718 2.284 191 HG LEU 28 HG LEU 28 9.530 13.233 4.941 192 1HD1 LEU 28 1HD1 LEU 28 7.167 12.797 5.605 193 2HD1 LEU 28 2HD1 LEU 28 8.293 11.530 6.265 194 3HD1 LEU 28 3HD1 LEU 28 7.259 11.155 4.843 195 1HD2 LEU 28 1HD2 LEU 28 10.352 10.880 4.989 196 2HD2 LEU 28 2HD2 LEU 28 10.761 11.702 3.440 197 3HD2 LEU 28 3HD2 LEU 28 9.405 10.509 3.496 198 H ASP 29 H ASP 29 6.503 15.543 1.764 199 HA ASP 29 HA ASP 29 6.140 16.521 -0.103 200 1HB ASP 29 2HB ASP 29 8.273 17.803 0.402 201 2HB ASP 29 1HB ASP 29 9.139 16.675 -0.692 202 H LYS 30 H LYS 30 6.978 13.549 0.321 203 HA LYS 30 HA LYS 30 6.936 12.770 -2.510 204 1HB LYS 30 2HB LYS 30 8.504 11.458 -0.218 205 2HB LYS 30 1HB LYS 30 8.466 10.896 -1.917 206 1HG LYS 30 2HG LYS 30 9.687 13.508 -0.880 207 2HG LYS 30 1HG LYS 30 10.567 12.055 -1.442 208 1HD LYS 30 2HD LYS 30 9.686 12.375 -3.753 209 2HD LYS 30 1HD LYS 30 8.613 13.676 -3.149 210 1HE LYS 30 2HE LYS 30 10.356 14.750 -4.343 211 2HE LYS 30 1HE LYS 30 10.556 15.133 -2.591 212 1HZ LYS 30 1HZ LYS 30 12.568 14.555 -3.921 213 2HZ LYS 30 2HZ LYS 30 12.059 12.950 -3.959 214 3HZ LYS 30 3HZ LYS 30 12.418 13.701 -2.478 215 H TYR 31 H TYR 31 6.418 10.387 -2.775 216 HA TYR 31 HA TYR 31 3.993 9.956 -1.186 217 1HB TYR 31 2HB TYR 31 3.862 8.532 -3.693 218 2HB TYR 31 1HB TYR 31 2.784 9.771 -3.021 219 HD1 TYR 31 1HD TYR 31 4.979 8.951 -5.592 220 HD2 TYR 31 2HD TYR 31 3.523 12.232 -3.346 221 HE1 TYR 31 1HE TYR 31 5.522 10.460 -7.453 222 HE2 TYR 31 2HE TYR 31 4.085 13.758 -5.181 223 HH TYR 31 HH TYR 31 4.960 13.963 -7.251 224 H ALA 32 H ALA 32 3.236 7.727 -0.980 225 HA ALA 32 HA ALA 32 5.130 5.678 -1.543 226 1HB ALA 32 1HB ALA 32 5.293 4.843 0.833 227 2HB ALA 32 2HB ALA 32 4.342 6.274 1.384 228 3HB ALA 32 3HB ALA 32 5.983 6.493 0.687 229 H CYS 33 H CYS 33 4.212 3.479 -0.811 230 HA CYS 33 HA CYS 33 1.308 3.585 -0.575 231 1HB CYS 33 2HB CYS 33 2.075 3.007 -2.942 232 2HB CYS 33 1HB CYS 33 2.716 1.479 -2.283 233 H ASN 34 H ASN 34 0.515 2.458 1.055 234 HA ASN 34 HA ASN 34 2.279 0.545 2.401 235 1HB ASN 34 2HB ASN 34 -0.199 2.029 3.442 236 2HB ASN 34 1HB ASN 34 0.735 0.802 4.365 237 1HD2 ASN 34 1HD2 ASN 34 3.430 1.822 3.399 238 2HD2 ASN 34 2HD2 ASN 34 3.647 3.337 4.205 239 H CYS 35 H CYS 35 1.388 -1.443 3.154 240 HA CYS 35 HA CYS 35 -0.094 -2.434 0.873 241 1HB CYS 35 2HB CYS 35 1.734 -3.811 2.896 242 2HB CYS 35 1HB CYS 35 1.055 -4.576 1.425 243 H VAL 36 H VAL 36 -1.162 -4.530 1.038 244 HA VAL 36 HA VAL 36 -3.007 -4.712 3.243 245 HB VAL 36 HB VAL 36 -3.843 -6.661 1.810 246 1HG1 VAL 36 1HG1 VAL 36 -4.966 -4.433 1.960 247 2HG1 VAL 36 2HG1 VAL 36 -5.016 -5.065 0.274 248 3HG1 VAL 36 3HG1 VAL 36 -3.857 -3.766 0.703 249 1HG2 VAL 36 1HG2 VAL 36 -1.645 -6.810 0.433 250 2HG2 VAL 36 2HG2 VAL 36 -2.158 -5.282 -0.383 251 3HG2 VAL 36 3HG2 VAL 36 -3.177 -6.747 -0.504 252 H VAL 37 H VAL 37 -3.298 -6.737 4.363 253 HA VAL 37 HA VAL 37 -0.806 -7.610 5.299 254 HB VAL 37 HB VAL 37 -2.643 -7.105 6.719 255 1HG1 VAL 37 1HG1 VAL 37 -4.568 -8.614 6.981 256 2HG1 VAL 37 2HG1 VAL 37 -4.018 -9.645 5.624 257 3HG1 VAL 37 3HG1 VAL 37 -4.553 -7.948 5.316 258 1HG2 VAL 37 1HG2 VAL 37 -0.822 -8.640 7.491 259 2HG2 VAL 37 2HG2 VAL 37 -1.806 -10.065 6.967 260 3HG2 VAL 37 3HG2 VAL 37 -2.404 -8.983 8.269 261 H GLY 38 H GLY 38 0.318 -9.451 5.134 262 1HA GLY 38 2HA GLY 38 0.581 -11.672 4.847 263 2HA GLY 38 1HA GLY 38 -0.880 -11.761 3.806 264 H TYR 39 H TYR 39 1.777 -9.429 3.493 265 HA TYR 39 HA TYR 39 2.639 -10.652 1.036 266 1HB TYR 39 2HB TYR 39 1.186 -7.935 1.091 267 2HB TYR 39 1HB TYR 39 2.201 -8.511 -0.287 268 HD1 TYR 39 1HD TYR 39 -1.020 -8.782 1.359 269 HD2 TYR 39 2HD TYR 39 1.553 -10.453 -1.583 270 HE1 TYR 39 1HE TYR 39 -2.937 -9.858 0.301 271 HE2 TYR 39 2HE TYR 39 -0.369 -11.556 -2.631 272 HH TYR 39 HH TYR 39 -3.624 -10.777 -1.684 273 H ILE 40 H ILE 40 4.605 -10.003 0.395 274 HA ILE 40 HA ILE 40 5.991 -7.970 1.954 275 HB ILE 40 HB ILE 40 7.997 -9.436 2.023 276 1HG1 ILE 40 2HG1 ILE 40 5.979 -11.588 1.156 277 2HG1 ILE 40 1HG1 ILE 40 7.451 -11.049 0.277 278 1HG2 ILE 40 1HG2 ILE 40 7.251 -10.572 4.054 279 2HG2 ILE 40 2HG2 ILE 40 5.525 -10.417 3.569 280 3HG2 ILE 40 3HG2 ILE 40 6.491 -8.949 3.953 281 1HD1 ILE 40 1HD1 ILE 40 7.917 -13.173 1.390 282 2HD1 ILE 40 2HD1 ILE 40 7.387 -12.531 2.977 283 3HD1 ILE 40 3HD1 ILE 40 8.871 -11.870 2.202 284 H GLY 41 H GLY 41 8.307 -7.694 0.875 285 1HA GLY 41 2HA GLY 41 9.395 -7.124 -1.007 286 2HA GLY 41 1HA GLY 41 7.940 -7.472 -2.009 287 H GLU 42 H GLU 42 9.363 -5.127 -2.459 288 HA GLU 42 HA GLU 42 8.683 -3.018 -0.817 289 1HB GLU 42 2HB GLU 42 10.542 -3.011 -2.371 290 2HB GLU 42 1HB GLU 42 9.443 -2.994 -3.773 291 1HG GLU 42 2HG GLU 42 8.659 -0.727 -3.241 292 2HG GLU 42 1HG GLU 42 9.397 -0.800 -1.608 293 H ARG 43 H ARG 43 7.088 -3.988 -3.859 294 HA ARG 43 HA ARG 43 4.849 -2.227 -3.129 295 1HB ARG 43 2HB ARG 43 4.069 -2.581 -5.463 296 2HB ARG 43 1HB ARG 43 5.592 -1.696 -5.291 297 1HG ARG 43 2HG ARG 43 5.969 -4.650 -5.641 298 2HG ARG 43 1HG ARG 43 5.136 -3.868 -6.995 299 1HD ARG 43 2HD ARG 43 7.822 -2.810 -5.875 300 2HD ARG 43 1HD ARG 43 7.675 -3.948 -7.278 301 HE ARG 43 HE ARG 43 5.847 -1.850 -7.821 302 1HH1 ARG 43 1HH1 ARG 43 9.446 -1.898 -7.371 303 2HH1 ARG 43 2HH1 ARG 43 9.611 -0.565 -8.461 304 1HH2 ARG 43 1HH2 ARG 43 6.168 -0.293 -9.167 305 2HH2 ARG 43 2HH2 ARG 43 7.762 0.290 -9.627 306 H CYS 44 H CYS 44 5.596 -4.932 -1.981 307 HA CYS 44 HA CYS 44 4.590 -6.696 -1.236 308 1HB CYS 44 2HB CYS 44 2.289 -4.740 -1.285 309 2HB CYS 44 1HB CYS 44 2.299 -6.248 -0.319 310 H GLN 45 H GLN 45 4.890 -7.463 -3.723 311 HA GLN 45 HA GLN 45 2.317 -8.616 -4.533 312 1HB GLN 45 2HB GLN 45 4.819 -7.821 -5.900 313 2HB GLN 45 1HB GLN 45 4.188 -9.406 -6.439 314 1HG GLN 45 2HG GLN 45 1.964 -8.429 -6.933 315 2HG GLN 45 1HG GLN 45 2.524 -6.821 -6.338 316 1HE2 GLN 45 1HE2 GLN 45 4.643 -6.091 -7.373 317 2HE2 GLN 45 2HE2 GLN 45 4.693 -6.187 -9.129 318 H TYR 46 H TYR 46 5.215 -9.509 -2.845 319 HA TYR 46 HA TYR 46 5.063 -12.290 -3.609 320 1HB TYR 46 2HB TYR 46 6.717 -10.724 -1.546 321 2HB TYR 46 1HB TYR 46 6.879 -12.492 -1.825 322 HD1 TYR 46 1HD TYR 46 7.031 -9.245 -3.812 323 HD2 TYR 46 2HD TYR 46 8.653 -13.079 -2.959 324 HE1 TYR 46 1HE TYR 46 8.851 -8.797 -5.329 325 HE2 TYR 46 2HE TYR 46 10.518 -12.621 -4.464 326 HH TYR 46 HH TYR 46 10.756 -9.556 -6.265 327 H ARG 47 H ARG 47 4.538 -13.974 -1.977 328 HA ARG 47 HA ARG 47 2.490 -12.909 -0.175 329 1HB ARG 47 2HB ARG 47 2.858 -15.742 -1.243 330 2HB ARG 47 1HB ARG 47 1.553 -15.164 -0.153 331 1HG ARG 47 2HG ARG 47 1.013 -13.406 -1.948 332 2HG ARG 47 1HG ARG 47 2.072 -14.310 -3.063 333 1HD ARG 47 2HD ARG 47 -0.386 -15.506 -1.605 334 2HD ARG 47 1HD ARG 47 -0.462 -14.766 -3.239 335 HE ARG 47 HE ARG 47 0.779 -17.378 -2.519 336 1HH1 ARG 47 1HH1 ARG 47 1.017 -14.845 -5.028 337 2HH1 ARG 47 2HH1 ARG 47 1.329 -16.038 -6.227 338 1HH2 ARG 47 1HH2 ARG 47 0.551 -18.826 -4.361 339 2HH2 ARG 47 2HH2 ARG 47 0.707 -18.152 -5.939 340 H ASP 48 H ASP 48 2.575 -13.118 1.967 341 HA ASP 48 HA ASP 48 5.045 -14.111 3.073 342 1HB ASP 48 2HB ASP 48 3.904 -11.837 3.597 343 2HB ASP 48 1HB ASP 48 2.700 -12.773 4.546 344 H LEU 49 H LEU 49 5.226 -16.125 3.923 345 HA LEU 49 HA LEU 49 2.930 -17.749 3.473 346 1HB LEU 49 2HB LEU 49 5.822 -18.473 4.078 347 2HB LEU 49 1HB LEU 49 4.551 -19.622 3.551 348 HG LEU 49 HG LEU 49 5.615 -17.254 1.912 349 1HD1 LEU 49 1HD1 LEU 49 6.635 -19.031 0.485 350 2HD1 LEU 49 2HD1 LEU 49 6.029 -20.295 1.620 351 3HD1 LEU 49 3HD1 LEU 49 7.262 -19.106 2.177 352 1HD2 LEU 49 1HD2 LEU 49 3.250 -17.668 1.296 353 2HD2 LEU 49 2HD2 LEU 49 3.570 -19.445 1.174 354 3HD2 LEU 49 3HD2 LEU 49 4.337 -18.300 0.012 355 H LYS 50 H LYS 50 3.192 -16.153 6.074 356 HA LYS 50 HA LYS 50 3.639 -17.806 8.179 357 1HB LYS 50 2HB LYS 50 1.610 -15.509 7.906 358 2HB LYS 50 1HB LYS 50 2.280 -16.133 9.451 359 1HG LYS 50 2HG LYS 50 3.902 -14.733 7.222 360 2HG LYS 50 1HG LYS 50 3.271 -14.003 8.717 361 1HD LYS 50 2HD LYS 50 5.155 -14.580 9.796 362 2HD LYS 50 1HD LYS 50 4.604 -16.272 9.661 363 1HE LYS 50 2HE LYS 50 6.847 -16.282 8.871 364 2HE LYS 50 1HE LYS 50 5.818 -16.416 7.390 365 1HZ LYS 50 1HZ LYS 50 7.720 -14.818 7.316 366 2HZ LYS 50 2HZ LYS 50 6.926 -13.830 8.409 367 3HZ LYS 50 3HZ LYS 50 6.244 -14.147 6.888 368 H TRP 51 H TRP 51 0.394 -17.073 6.827 369 HA TRP 51 HA TRP 51 -0.688 -19.247 8.399 370 1HB TRP 51 2HB TRP 51 -2.868 -18.533 7.386 371 2HB TRP 51 1HB TRP 51 -2.023 -17.364 8.443 372 HD1 TRP 51 HD TRP 51 -1.498 -14.980 7.416 373 HE1 TRP 51 1HE TRP 51 -2.343 -13.839 5.255 374 HE3 TRP 51 3HE TRP 51 -3.099 -19.090 4.878 375 HZ2 TRP 51 2HZ TRP 51 -3.304 -14.611 2.754 376 HZ3 TRP 51 3HZ TRP 51 -3.913 -18.819 2.597 377 HH2 TRP 51 HH TRP 51 -4.035 -16.633 1.550 378 H TRP 52 H TRP 52 0.309 -18.766 5.135 379 HA TRP 52 HA TRP 52 -1.145 -20.618 3.791 380 1HB TRP 52 2HB TRP 52 1.720 -19.631 3.451 381 2HB TRP 52 1HB TRP 52 1.041 -20.837 2.324 382 HD1 TRP 52 HD TRP 52 0.830 -17.049 2.871 383 HE1 TRP 52 1HE TRP 52 -0.666 -16.106 1.019 384 HE3 TRP 52 3HE TRP 52 -0.993 -21.421 1.039 385 HZ2 TRP 52 2HZ TRP 52 -2.318 -17.113 -1.038 386 HZ3 TRP 52 3HZ TRP 52 -2.545 -21.357 -0.844 387 HH2 TRP 52 HH TRP 52 -3.207 -19.251 -1.862 388 H GLU 53 H GLU 53 1.799 -21.390 5.650 389 HA GLU 53 HA GLU 53 1.874 -24.021 4.560 390 1HB GLU 53 2HB GLU 53 3.419 -22.834 6.899 391 2HB GLU 53 1HB GLU 53 3.754 -24.390 6.077 392 1HG GLU 53 2HG GLU 53 4.208 -23.127 3.922 393 2HG GLU 53 1HG GLU 53 4.009 -21.582 4.830 394 H LEU 54 H LEU 54 -0.570 -24.050 5.471 395 HA LEU 54 HA LEU 54 -0.554 -25.543 7.979 396 1HB LEU 54 2HB LEU 54 -2.305 -23.781 7.387 397 2HB LEU 54 1HB LEU 54 -2.904 -24.887 6.127 398 HG LEU 54 HG LEU 54 -4.211 -24.812 8.244 399 1HD1 LEU 54 1HD1 LEU 54 -4.397 -26.833 6.827 400 2HD1 LEU 54 2HD1 LEU 54 -4.588 -27.218 8.577 401 3HD1 LEU 54 3HD1 LEU 54 -3.049 -27.615 7.746 402 1HD2 LEU 54 1HD2 LEU 54 -3.459 -25.771 10.341 403 2HD2 LEU 54 2HD2 LEU 54 -2.267 -24.515 9.830 404 3HD2 LEU 54 3HD2 LEU 54 -1.881 -26.267 9.631 Start of MODEL 10 1 1H VAL 1 1HT VAL 1 7.382 17.185 5.963 2 2H VAL 1 2HT VAL 1 8.824 17.977 6.337 3 3H VAL 1 3HT VAL 1 7.693 18.712 5.333 4 HA VAL 1 HA VAL 1 7.838 18.483 8.198 5 HB VAL 1 HB VAL 1 6.563 20.516 8.275 6 1HG1 VAL 1 1HG1 VAL 1 8.712 20.636 6.061 7 2HG1 VAL 1 2HG1 VAL 1 9.041 20.561 7.836 8 3HG1 VAL 1 3HG1 VAL 1 8.163 21.961 7.139 9 1HG2 VAL 1 1HG2 VAL 1 6.232 20.234 5.211 10 2HG2 VAL 1 2HG2 VAL 1 5.818 21.664 6.211 11 3HG2 VAL 1 3HG2 VAL 1 4.919 20.136 6.452 12 H VAL 2 H VAL 2 5.895 18.570 9.681 13 HA VAL 2 HA VAL 2 4.407 16.229 8.957 14 HB VAL 2 HB VAL 2 4.661 17.665 11.604 15 1HG1 VAL 2 1HG1 VAL 2 2.608 16.235 11.495 16 2HG1 VAL 2 2HG1 VAL 2 3.869 15.419 12.474 17 3HG1 VAL 2 3HG1 VAL 2 3.570 14.879 10.790 18 1HG2 VAL 2 1HG2 VAL 2 6.886 16.852 10.859 19 2HG2 VAL 2 2HG2 VAL 2 6.175 15.241 10.437 20 3HG2 VAL 2 3HG2 VAL 2 6.236 15.792 12.149 21 H SER 3 H SER 3 2.615 16.653 7.820 22 HA SER 3 HA SER 3 0.572 18.284 9.098 23 1HB SER 3 2HB SER 3 1.139 18.203 6.092 24 2HB SER 3 1HB SER 3 -0.334 18.915 6.828 25 HG SER 3 HG SER 3 1.501 20.371 6.342 26 H HIS 4 H HIS 4 -1.653 17.548 8.009 27 HA HIS 4 HA HIS 4 -1.600 14.690 8.432 28 1HB HIS 4 2HB HIS 4 -3.917 16.619 7.921 29 2HB HIS 4 1HB HIS 4 -4.093 14.901 8.405 30 HD1 HIS 4 1HD HIS 4 -5.103 17.422 10.005 31 HD2 HIS 4 2HD HIS 4 -1.647 15.218 10.886 32 HE1 HIS 4 1HE HIS 4 -4.630 17.745 12.472 33 HE2 HIS 4 2HE HIS 4 -2.559 16.440 12.970 34 H PHE 5 H PHE 5 -2.565 13.167 7.165 35 HA PHE 5 HA PHE 5 -2.403 13.701 4.295 36 1HB PHE 5 2HB PHE 5 -1.306 11.447 4.061 37 2HB PHE 5 1HB PHE 5 -0.338 12.705 4.883 38 HD1 PHE 5 1HD PHE 5 -2.342 9.669 5.408 39 HD2 PHE 5 2HD PHE 5 0.228 12.544 7.146 40 HE1 PHE 5 1HE PHE 5 -2.081 8.221 7.385 41 HE2 PHE 5 2HE PHE 5 0.528 11.097 9.122 42 HZ PHE 5 HZ PHE 5 -0.633 8.935 9.236 43 H ASN 6 H ASN 6 -3.415 12.014 2.923 44 HA ASN 6 HA ASN 6 -5.728 10.781 4.223 45 1HB ASN 6 2HB ASN 6 -5.670 12.631 1.780 46 2HB ASN 6 1HB ASN 6 -6.994 11.426 2.002 47 1HD2 ASN 6 1HD2 ASN 6 -8.144 11.441 4.135 48 2HD2 ASN 6 2HD2 ASN 6 -8.413 12.977 4.898 49 H ASP 7 H ASP 7 -6.815 9.212 2.863 50 HA ASP 7 HA ASP 7 -4.866 7.342 1.930 51 1HB ASP 7 2HB ASP 7 -7.934 7.206 2.080 52 2HB ASP 7 1HB ASP 7 -6.834 5.802 1.832 53 H CYS 8 H CYS 8 -4.759 6.408 -0.132 54 HA CYS 8 HA CYS 8 -5.326 7.953 -2.316 55 1HB CYS 8 2HB CYS 8 -4.581 5.076 -1.766 56 2HB CYS 8 1HB CYS 8 -5.118 5.430 -3.420 57 HA PRO 9 HA PRO 9 -9.438 6.593 -3.371 58 1HB PRO 9 2HB PRO 9 -9.505 6.947 -6.108 59 2HB PRO 9 1HB PRO 9 -9.398 8.341 -4.972 60 1HG PRO 9 2HG PRO 9 -7.068 6.944 -6.413 61 2HG PRO 9 1HG PRO 9 -7.459 8.718 -6.388 62 1HD PRO 9 2HD PRO 9 -5.650 7.596 -4.614 63 2HD PRO 9 1HD PRO 9 -6.777 8.932 -4.089 64 H LEU 10 H LEU 10 -10.529 4.995 -4.910 65 HA LEU 10 HA LEU 10 -9.498 2.529 -4.364 66 1HB LEU 10 2HB LEU 10 -11.858 3.117 -4.674 67 2HB LEU 10 1HB LEU 10 -11.630 3.322 -6.424 68 HG LEU 10 HG LEU 10 -10.881 0.666 -5.125 69 1HD1 LEU 10 1HD1 LEU 10 -13.091 1.229 -4.115 70 2HD1 LEU 10 2HD1 LEU 10 -13.230 -0.137 -5.286 71 3HD1 LEU 10 3HD1 LEU 10 -13.774 1.512 -5.760 72 1HD2 LEU 10 1HD2 LEU 10 -12.240 1.385 -7.813 73 2HD2 LEU 10 2HD2 LEU 10 -11.811 -0.274 -7.266 74 3HD2 LEU 10 3HD2 LEU 10 -10.511 0.915 -7.607 75 H SER 11 H SER 11 -9.406 4.232 -7.476 76 HA SER 11 HA SER 11 -7.683 2.088 -8.532 77 1HB SER 11 2HB SER 11 -9.029 4.347 -10.094 78 2HB SER 11 1HB SER 11 -8.227 2.882 -10.755 79 HG SER 11 HG SER 11 -9.870 1.665 -9.783 80 H HIS 12 H HIS 12 -5.551 2.572 -8.033 81 HA HIS 12 HA HIS 12 -4.575 5.093 -9.097 82 1HB HIS 12 2HB HIS 12 -5.295 5.448 -6.650 83 2HB HIS 12 1HB HIS 12 -4.015 4.298 -6.191 84 HD1 HIS 12 1HD HIS 12 -4.449 7.707 -7.928 85 HD2 HIS 12 2HD HIS 12 -1.510 5.507 -5.880 86 HE1 HIS 12 1HE HIS 12 -2.540 9.263 -7.499 87 HE2 HIS 12 2HE HIS 12 -0.787 7.939 -6.300 88 H ASP 13 H ASP 13 -4.265 2.452 -10.051 89 HA ASP 13 HA ASP 13 -1.926 1.265 -8.962 90 1HB ASP 13 2HB ASP 13 -3.962 0.073 -9.798 91 2HB ASP 13 1HB ASP 13 -3.637 0.676 -11.453 92 H GLY 14 H GLY 14 0.159 1.300 -9.757 93 1HA GLY 14 2HA GLY 14 0.780 1.988 -12.379 94 2HA GLY 14 1HA GLY 14 0.945 3.455 -11.343 95 H TYR 15 H TYR 15 2.516 3.456 -9.647 96 HA TYR 15 HA TYR 15 4.740 1.707 -10.170 97 1HB TYR 15 2HB TYR 15 5.017 4.194 -9.642 98 2HB TYR 15 1HB TYR 15 4.488 3.836 -7.961 99 HD1 TYR 15 1HD TYR 15 6.089 2.984 -6.448 100 HD2 TYR 15 2HD TYR 15 6.883 2.795 -10.617 101 HE1 TYR 15 1HE TYR 15 8.297 2.063 -5.978 102 HE2 TYR 15 2HE TYR 15 9.090 1.848 -10.156 103 HH TYR 15 HH TYR 15 10.255 1.318 -6.849 104 H CYS 16 H CYS 16 2.511 2.379 -7.432 105 HA CYS 16 HA CYS 16 3.390 -0.105 -6.192 106 1HB CYS 16 2HB CYS 16 1.225 1.848 -5.291 107 2HB CYS 16 1HB CYS 16 1.882 0.459 -4.361 108 H LEU 17 H LEU 17 2.291 -2.000 -6.251 109 HA LEU 17 HA LEU 17 -0.117 -2.091 -7.906 110 1HB LEU 17 2HB LEU 17 0.943 -3.697 -9.445 111 2HB LEU 17 1HB LEU 17 1.692 -2.087 -9.459 112 HG LEU 17 HG LEU 17 3.345 -3.267 -7.634 113 1HD1 LEU 17 1HD1 LEU 17 2.525 -5.521 -9.578 114 2HD1 LEU 17 2HD1 LEU 17 2.252 -5.511 -7.794 115 3HD1 LEU 17 3HD1 LEU 17 3.935 -5.552 -8.452 116 1HD2 LEU 17 1HD2 LEU 17 3.606 -3.400 -10.701 117 2HD2 LEU 17 2HD2 LEU 17 4.957 -3.531 -9.515 118 3HD2 LEU 17 3HD2 LEU 17 4.032 -1.999 -9.648 119 H HIS 18 H HIS 18 -1.068 -4.241 -7.966 120 HA HIS 18 HA HIS 18 -2.165 -5.703 -6.857 121 1HB HIS 18 2HB HIS 18 0.022 -6.887 -6.978 122 2HB HIS 18 1HB HIS 18 0.360 -6.383 -5.300 123 HD1 HIS 18 1HD HIS 18 -0.386 -9.272 -6.852 124 HD2 HIS 18 2HD HIS 18 -2.558 -7.295 -3.865 125 HE1 HIS 18 1HE HIS 18 -1.636 -11.038 -5.570 126 HE2 HIS 18 2HE HIS 18 -3.019 -9.780 -3.838 127 H ASP 19 H ASP 19 -2.918 -3.429 -6.032 128 HA ASP 19 HA ASP 19 -4.115 -2.438 -4.583 129 1HB ASP 19 2HB ASP 19 -5.061 -4.790 -4.785 130 2HB ASP 19 1HB ASP 19 -4.355 -5.144 -3.179 131 H GLY 20 H GLY 20 -1.619 -1.741 -4.007 132 1HA GLY 20 2HA GLY 20 -1.096 -2.133 -1.200 133 2HA GLY 20 1HA GLY 20 -0.184 -1.144 -2.385 134 H VAL 21 H VAL 21 -1.250 -0.611 0.507 135 HA VAL 21 HA VAL 21 -3.242 1.375 0.015 136 HB VAL 21 HB VAL 21 -1.777 0.705 2.574 137 1HG1 VAL 21 1HG1 VAL 21 -3.807 1.836 3.591 138 2HG1 VAL 21 2HG1 VAL 21 -4.358 2.309 1.942 139 3HG1 VAL 21 3HG1 VAL 21 -2.834 2.991 2.620 140 1HG2 VAL 21 1HG2 VAL 21 -3.011 -1.279 1.738 141 2HG2 VAL 21 2HG2 VAL 21 -4.462 -0.263 1.392 142 3HG2 VAL 21 3HG2 VAL 21 -3.926 -0.525 3.088 143 H CYS 22 H CYS 22 -2.466 3.093 -1.147 144 HA CYS 22 HA CYS 22 0.063 4.219 -0.326 145 1HB CYS 22 2HB CYS 22 -0.086 5.677 -2.296 146 2HB CYS 22 1HB CYS 22 -0.015 3.914 -2.574 147 H MET 23 H MET 23 0.477 5.941 0.732 148 HA MET 23 HA MET 23 -1.734 7.789 1.361 149 1HB MET 23 2HB MET 23 0.559 6.896 3.170 150 2HB MET 23 1HB MET 23 -0.677 8.146 3.558 151 1HG MET 23 2HG MET 23 -2.475 6.424 3.341 152 2HG MET 23 1HG MET 23 -1.252 5.171 3.019 153 1HE MET 23 1HE MET 23 0.666 4.594 6.241 154 2HE MET 23 2HE MET 23 1.169 5.722 4.943 155 3HE MET 23 3HE MET 23 0.360 4.173 4.522 156 H TYR 24 H TYR 24 -1.382 9.453 0.126 157 HA TYR 24 HA TYR 24 1.222 10.602 -0.316 158 1HB TYR 24 2HB TYR 24 -0.396 10.592 -2.169 159 2HB TYR 24 1HB TYR 24 -1.657 11.329 -1.109 160 HD1 TYR 24 1HD TYR 24 1.844 12.123 -2.285 161 HD2 TYR 24 2HD TYR 24 -2.134 13.424 -1.523 162 HE1 TYR 24 1HE TYR 24 2.362 14.280 -3.265 163 HE2 TYR 24 2HE TYR 24 -1.643 15.568 -2.492 164 HH TYR 24 HH TYR 24 1.635 16.415 -3.673 165 H ILE 25 H ILE 25 2.185 12.210 0.863 166 HA ILE 25 HA ILE 25 0.519 13.719 2.713 167 HB ILE 25 HB ILE 25 1.862 12.387 3.982 168 1HG1 ILE 25 2HG1 ILE 25 3.540 14.896 3.686 169 2HG1 ILE 25 1HG1 ILE 25 1.830 14.985 4.248 170 1HG2 ILE 25 1HG2 ILE 25 4.354 12.194 3.673 171 2HG2 ILE 25 2HG2 ILE 25 4.209 13.025 2.085 172 3HG2 ILE 25 3HG2 ILE 25 3.423 11.427 2.356 173 1HD1 ILE 25 1HD1 ILE 25 3.403 14.896 6.205 174 2HD1 ILE 25 2HD1 ILE 25 4.015 13.292 5.643 175 3HD1 ILE 25 3HD1 ILE 25 2.294 13.481 6.155 176 H GLU 26 H GLU 26 -0.006 15.508 1.648 177 HA GLU 26 HA GLU 26 1.289 16.465 -0.561 178 1HB GLU 26 2HB GLU 26 -1.085 16.821 0.035 179 2HB GLU 26 1HB GLU 26 -0.588 17.920 1.354 180 1HG GLU 26 2HG GLU 26 0.390 19.511 -0.331 181 2HG GLU 26 1HG GLU 26 -0.039 18.375 -1.663 182 H ALA 27 H ALA 27 1.782 17.350 2.793 183 HA ALA 27 HA ALA 27 3.242 19.630 2.588 184 1HB ALA 27 1HB ALA 27 2.489 18.546 4.694 185 2HB ALA 27 2HB ALA 27 4.250 18.889 4.776 186 3HB ALA 27 3HB ALA 27 3.683 17.207 4.464 187 H LEU 28 H LEU 28 4.429 16.323 2.237 188 HA LEU 28 HA LEU 28 7.137 17.285 1.650 189 1HB LEU 28 2HB LEU 28 5.896 14.597 2.356 190 2HB LEU 28 1HB LEU 28 7.577 14.716 1.746 191 HG LEU 28 HG LEU 28 6.885 16.618 3.962 192 1HD1 LEU 28 1HD1 LEU 28 7.181 14.862 5.739 193 2HD1 LEU 28 2HD1 LEU 28 7.021 13.586 4.475 194 3HD1 LEU 28 3HD1 LEU 28 5.647 14.719 4.808 195 1HD2 LEU 28 1HD2 LEU 28 9.189 16.459 3.005 196 2HD2 LEU 28 2HD2 LEU 28 9.246 14.706 3.426 197 3HD2 LEU 28 3HD2 LEU 28 9.184 15.937 4.735 198 H ASP 29 H ASP 29 4.286 16.006 0.178 199 HA ASP 29 HA ASP 29 3.601 15.824 -1.802 200 1HB ASP 29 2HB ASP 29 4.830 17.945 -2.159 201 2HB ASP 29 1HB ASP 29 6.224 17.012 -2.803 202 H LYS 30 H LYS 30 5.515 13.833 -0.462 203 HA LYS 30 HA LYS 30 5.677 12.021 -2.776 204 1HB LYS 30 2HB LYS 30 7.153 11.820 -0.106 205 2HB LYS 30 1HB LYS 30 7.321 10.710 -1.499 206 1HG LYS 30 2HG LYS 30 8.212 13.636 -1.340 207 2HG LYS 30 1HG LYS 30 9.224 12.166 -1.454 208 1HD LYS 30 2HD LYS 30 8.146 11.706 -3.736 209 2HD LYS 30 1HD LYS 30 7.310 13.283 -3.580 210 1HE LYS 30 2HE LYS 30 9.657 14.383 -3.349 211 2HE LYS 30 1HE LYS 30 10.331 12.794 -3.900 212 1HZ LYS 30 1HZ LYS 30 10.009 14.110 -5.791 213 2HZ LYS 30 2HZ LYS 30 8.496 14.646 -5.319 214 3HZ LYS 30 3HZ LYS 30 8.674 13.047 -5.824 215 H TYR 31 H TYR 31 5.494 9.646 -2.023 216 HA TYR 31 HA TYR 31 3.364 9.396 -0.074 217 1HB TYR 31 2HB TYR 31 1.851 8.170 -1.455 218 2HB TYR 31 1HB TYR 31 2.156 9.769 -2.193 219 HD1 TYR 31 1HD TYR 31 3.933 9.888 -4.027 220 HD2 TYR 31 2HD TYR 31 2.094 6.309 -2.729 221 HE1 TYR 31 1HE TYR 31 4.412 8.866 -6.214 222 HE2 TYR 31 2HE TYR 31 2.487 5.288 -4.918 223 HH TYR 31 HH TYR 31 3.142 5.678 -7.061 224 H ALA 32 H ALA 32 3.039 7.242 0.701 225 HA ALA 32 HA ALA 32 5.196 5.381 -0.025 226 1HB ALA 32 1HB ALA 32 5.287 4.644 2.359 227 2HB ALA 32 2HB ALA 32 4.084 5.917 2.795 228 3HB ALA 32 3HB ALA 32 5.730 6.376 2.220 229 H CYS 33 H CYS 33 4.591 3.225 -0.092 230 HA CYS 33 HA CYS 33 1.689 2.755 -0.024 231 1HB CYS 33 2HB CYS 33 3.902 1.435 -1.662 232 2HB CYS 33 1HB CYS 33 2.163 0.982 -1.719 233 H ASN 34 H ASN 34 1.183 1.819 1.856 234 HA ASN 34 HA ASN 34 3.107 0.108 3.156 235 1HB ASN 34 2HB ASN 34 0.372 1.192 3.960 236 2HB ASN 34 1HB ASN 34 1.200 -0.100 4.907 237 1HD2 ASN 34 1HD2 ASN 34 1.378 1.270 6.739 238 2HD2 ASN 34 2HD2 ASN 34 2.524 2.576 6.785 239 H CYS 35 H CYS 35 2.982 -1.992 3.590 240 HA CYS 35 HA CYS 35 1.303 -3.501 1.747 241 1HB CYS 35 2HB CYS 35 3.859 -4.328 3.203 242 2HB CYS 35 1HB CYS 35 2.976 -5.262 1.954 243 H VAL 36 H VAL 36 0.100 -5.265 2.370 244 HA VAL 36 HA VAL 36 -0.653 -5.414 5.118 245 HB VAL 36 HB VAL 36 -2.133 -7.301 4.173 246 1HG1 VAL 36 1HG1 VAL 36 -3.715 -5.586 3.292 247 2HG1 VAL 36 2HG1 VAL 36 -2.391 -4.371 3.249 248 3HG1 VAL 36 3HG1 VAL 36 -2.933 -5.048 4.825 249 1HG2 VAL 36 1HG2 VAL 36 -0.696 -7.541 2.030 250 2HG2 VAL 36 2HG2 VAL 36 -1.370 -5.946 1.504 251 3HG2 VAL 36 3HG2 VAL 36 -2.466 -7.332 1.785 252 H VAL 37 H VAL 37 -0.905 -7.519 6.206 253 HA VAL 37 HA VAL 37 1.677 -8.661 6.391 254 HB VAL 37 HB VAL 37 -0.891 -9.254 7.864 255 1HG1 VAL 37 1HG1 VAL 37 2.047 -9.980 8.492 256 2HG1 VAL 37 2HG1 VAL 37 0.732 -11.158 8.084 257 3HG1 VAL 37 3HG1 VAL 37 0.651 -10.200 9.602 258 1HG2 VAL 37 1HG2 VAL 37 -0.175 -6.877 8.154 259 2HG2 VAL 37 2HG2 VAL 37 1.514 -7.423 8.499 260 3HG2 VAL 37 3HG2 VAL 37 0.184 -7.822 9.635 261 H GLY 38 H GLY 38 2.422 -10.399 5.415 262 1HA GLY 38 2HA GLY 38 2.391 -12.620 4.883 263 2HA GLY 38 1HA GLY 38 0.611 -12.585 4.716 264 H TYR 39 H TYR 39 2.422 -10.042 3.260 265 HA TYR 39 HA TYR 39 2.411 -11.367 0.650 266 1HB TYR 39 2HB TYR 39 1.375 -8.563 1.388 267 2HB TYR 39 1HB TYR 39 1.923 -8.971 -0.286 268 HD1 TYR 39 1HD TYR 39 0.671 -10.324 -1.694 269 HD2 TYR 39 2HD TYR 39 -0.534 -9.864 2.348 270 HE1 TYR 39 1HE TYR 39 -1.441 -11.463 -2.198 271 HE2 TYR 39 2HE TYR 39 -2.623 -11.022 1.871 272 HH TYR 39 HH TYR 39 -3.890 -12.013 0.315 273 H ILE 40 H ILE 40 4.274 -11.212 -0.407 274 HA ILE 40 HA ILE 40 6.339 -9.463 0.705 275 HB ILE 40 HB ILE 40 7.976 -11.307 0.574 276 1HG1 ILE 40 2HG1 ILE 40 5.513 -13.140 0.427 277 2HG1 ILE 40 1HG1 ILE 40 6.539 -12.760 -1.001 278 1HG2 ILE 40 1HG2 ILE 40 6.884 -10.481 2.683 279 2HG2 ILE 40 2HG2 ILE 40 7.430 -12.198 2.721 280 3HG2 ILE 40 3HG2 ILE 40 5.677 -11.813 2.522 281 1HD1 ILE 40 1HD1 ILE 40 8.558 -13.663 0.244 282 2HD1 ILE 40 2HD1 ILE 40 7.273 -14.886 -0.039 283 3HD1 ILE 40 3HD1 ILE 40 7.462 -14.162 1.590 284 H GLY 41 H GLY 41 8.431 -10.461 -0.920 285 1HA GLY 41 2HA GLY 41 9.199 -10.187 -3.013 286 2HA GLY 41 1HA GLY 41 7.550 -9.750 -3.598 287 H GLU 42 H GLU 42 9.826 -8.354 -4.387 288 HA GLU 42 HA GLU 42 10.667 -6.307 -2.866 289 1HB GLU 42 2HB GLU 42 11.229 -5.243 -5.118 290 2HB GLU 42 1HB GLU 42 11.897 -6.846 -4.777 291 1HG GLU 42 2HG GLU 42 9.224 -6.791 -6.241 292 2HG GLU 42 1HG GLU 42 10.667 -6.185 -7.111 293 H ARG 43 H ARG 43 7.767 -6.160 -4.965 294 HA ARG 43 HA ARG 43 7.151 -3.645 -3.540 295 1HB ARG 43 2HB ARG 43 5.900 -2.875 -5.425 296 2HB ARG 43 1HB ARG 43 7.603 -3.153 -5.840 297 1HG ARG 43 2HG ARG 43 5.781 -5.488 -6.380 298 2HG ARG 43 1HG ARG 43 5.393 -4.009 -7.287 299 1HD ARG 43 2HD ARG 43 8.216 -5.262 -7.306 300 2HD ARG 43 1HD ARG 43 6.911 -5.600 -8.528 301 HE ARG 43 HE ARG 43 7.314 -2.715 -8.200 302 1HH1 ARG 43 1HH1 ARG 43 8.913 -5.562 -9.747 303 2HH1 ARG 43 2HH1 ARG 43 9.528 -4.567 -11.024 304 1HH2 ARG 43 1HH2 ARG 43 8.075 -1.581 -9.836 305 2HH2 ARG 43 2HH2 ARG 43 9.042 -2.274 -11.131 306 H CYS 44 H CYS 44 6.553 -6.303 -2.516 307 HA CYS 44 HA CYS 44 4.961 -7.318 -1.491 308 1HB CYS 44 2HB CYS 44 3.492 -4.665 -1.637 309 2HB CYS 44 1HB CYS 44 3.133 -5.999 -0.504 310 H GLN 45 H GLN 45 4.879 -8.055 -4.030 311 HA GLN 45 HA GLN 45 2.058 -8.081 -4.844 312 1HB GLN 45 2HB GLN 45 3.071 -8.842 -7.057 313 2HB GLN 45 1HB GLN 45 3.404 -7.155 -6.541 314 1HG GLN 45 2HG GLN 45 5.667 -7.778 -5.735 315 2HG GLN 45 1HG GLN 45 5.362 -9.498 -6.122 316 1HE2 GLN 45 1HE2 GLN 45 3.935 -8.438 -8.805 317 2HE2 GLN 45 2HE2 GLN 45 5.327 -8.082 -9.789 318 H TYR 46 H TYR 46 4.481 -10.276 -3.539 319 HA TYR 46 HA TYR 46 3.146 -12.535 -4.816 320 1HB TYR 46 2HB TYR 46 5.492 -12.624 -2.891 321 2HB TYR 46 1HB TYR 46 4.923 -13.933 -3.981 322 HD1 TYR 46 1HD TYR 46 7.642 -12.676 -3.539 323 HD2 TYR 46 2HD TYR 46 4.682 -12.101 -6.541 324 HE1 TYR 46 1HE TYR 46 9.346 -11.792 -5.051 325 HE2 TYR 46 2HE TYR 46 6.388 -11.267 -8.058 326 HH TYR 46 HH TYR 46 9.491 -10.299 -6.877 327 H ARG 47 H ARG 47 2.000 -14.107 -3.599 328 HA ARG 47 HA ARG 47 1.202 -13.145 -0.938 329 1HB ARG 47 2HB ARG 47 -0.586 -13.578 -2.587 330 2HB ARG 47 1HB ARG 47 0.030 -15.234 -2.838 331 1HG ARG 47 2HG ARG 47 -0.466 -15.779 -0.446 332 2HG ARG 47 1HG ARG 47 -1.135 -14.132 -0.207 333 1HD ARG 47 2HD ARG 47 -2.979 -14.635 -1.807 334 2HD ARG 47 1HD ARG 47 -2.184 -16.215 -2.237 335 HE ARG 47 HE ARG 47 -2.600 -15.953 0.660 336 1HH1 ARG 47 1HH1 ARG 47 -4.270 -16.997 -2.375 337 2HH1 ARG 47 2HH1 ARG 47 -5.264 -18.112 -1.515 338 1HH2 ARG 47 1HH2 ARG 47 -3.966 -17.413 1.692 339 2HH2 ARG 47 2HH2 ARG 47 -5.056 -18.385 0.719 340 H ASP 48 H ASP 48 1.782 -14.254 0.915 341 HA ASP 48 HA ASP 48 3.113 -16.813 0.554 342 1HB ASP 48 2HB ASP 48 2.810 -14.838 2.851 343 2HB ASP 48 1HB ASP 48 3.023 -16.586 3.243 344 H LEU 49 H LEU 49 2.229 -18.624 0.638 345 HA LEU 49 HA LEU 49 -0.639 -18.760 1.033 346 1HB LEU 49 2HB LEU 49 0.506 -19.587 -1.049 347 2HB LEU 49 1HB LEU 49 1.396 -20.779 -0.071 348 HG LEU 49 HG LEU 49 -0.787 -21.865 0.552 349 1HD1 LEU 49 1HD1 LEU 49 -2.852 -21.269 -0.743 350 2HD1 LEU 49 2HD1 LEU 49 -2.017 -19.817 -1.412 351 3HD1 LEU 49 3HD1 LEU 49 -2.360 -19.939 0.358 352 1HD2 LEU 49 1HD2 LEU 49 -0.316 -21.528 -2.473 353 2HD2 LEU 49 2HD2 LEU 49 -1.221 -22.872 -1.678 354 3HD2 LEU 49 3HD2 LEU 49 0.547 -22.674 -1.382 355 H LYS 50 H LYS 50 2.346 -19.953 2.480 356 HA LYS 50 HA LYS 50 1.259 -22.285 3.429 357 1HB LYS 50 2HB LYS 50 3.745 -20.799 4.403 358 2HB LYS 50 1HB LYS 50 3.387 -22.534 4.705 359 1HG LYS 50 2HG LYS 50 3.821 -21.307 1.925 360 2HG LYS 50 1HG LYS 50 5.030 -22.162 2.907 361 1HD LYS 50 2HD LYS 50 2.704 -23.899 2.798 362 2HD LYS 50 1HD LYS 50 2.903 -23.207 1.169 363 1HE LYS 50 2HE LYS 50 4.194 -25.257 1.218 364 2HE LYS 50 1HE LYS 50 5.395 -23.891 1.280 365 1HZ LYS 50 1HZ LYS 50 5.810 -25.717 2.868 366 2HZ LYS 50 2HZ LYS 50 4.352 -25.398 3.628 367 3HZ LYS 50 3HZ LYS 50 5.592 -24.244 3.664 368 H TRP 51 H TRP 51 1.182 -19.199 5.101 369 HA TRP 51 HA TRP 51 1.009 -20.414 7.663 370 1HB TRP 51 2HB TRP 51 0.520 -18.105 8.456 371 2HB TRP 51 1HB TRP 51 2.025 -18.280 7.504 372 HD1 TRP 51 HD TRP 51 2.183 -16.959 5.181 373 HE1 TRP 51 1HE TRP 51 0.739 -15.102 4.126 374 HE3 TRP 51 3HE TRP 51 -1.798 -17.186 8.315 375 HZ2 TRP 51 2HZ TRP 51 -1.613 -13.697 4.795 376 HZ3 TRP 51 3HZ TRP 51 -3.601 -15.559 8.062 377 HH2 TRP 51 HH TRP 51 -3.524 -13.846 6.331 378 H TRP 52 H TRP 52 -1.349 -19.508 5.307 379 HA TRP 52 HA TRP 52 -3.564 -19.207 6.975 380 1HB TRP 52 2HB TRP 52 -3.522 -20.210 4.084 381 2HB TRP 52 1HB TRP 52 -4.941 -19.571 4.955 382 HD1 TRP 52 HD TRP 52 -1.442 -18.249 3.688 383 HE1 TRP 52 1HE TRP 52 -1.774 -15.894 2.930 384 HE3 TRP 52 3HE TRP 52 -6.298 -17.676 5.072 385 HZ2 TRP 52 2HZ TRP 52 -3.977 -14.067 2.583 386 HZ3 TRP 52 3HZ TRP 52 -7.450 -15.599 4.489 387 HH2 TRP 52 HH TRP 52 -6.314 -13.826 3.267 388 H GLU 53 H GLU 53 -2.697 -22.035 4.971 389 HA GLU 53 HA GLU 53 -4.472 -23.694 6.602 390 1HB GLU 53 2HB GLU 53 -4.791 -23.305 4.049 391 2HB GLU 53 1HB GLU 53 -3.356 -24.318 3.839 392 1HG GLU 53 2HG GLU 53 -5.157 -25.847 3.608 393 2HG GLU 53 1HG GLU 53 -4.672 -26.104 5.318 394 H LEU 54 H LEU 54 -2.662 -23.635 8.214 395 HA LEU 54 HA LEU 54 -1.187 -26.086 7.816 396 1HB LEU 54 2HB LEU 54 0.434 -24.273 7.195 397 2HB LEU 54 1HB LEU 54 0.164 -23.511 8.777 398 HG LEU 54 HG LEU 54 1.116 -25.540 9.908 399 1HD1 LEU 54 1HD1 LEU 54 0.608 -27.324 8.248 400 2HD1 LEU 54 2HD1 LEU 54 2.380 -27.230 8.529 401 3HD1 LEU 54 3HD1 LEU 54 1.673 -26.518 7.029 402 1HD2 LEU 54 1HD2 LEU 54 3.478 -25.121 9.230 403 2HD2 LEU 54 2HD2 LEU 54 2.549 -23.579 9.318 404 3HD2 LEU 54 3HD2 LEU 54 2.911 -24.316 7.716 Start of MODEL 11 1 1H VAL 1 1HT VAL 1 6.645 20.944 3.314 2 2H VAL 1 2HT VAL 1 6.494 22.035 4.566 3 3H VAL 1 3HT VAL 1 6.262 22.558 2.989 4 HA VAL 1 HA VAL 1 4.145 22.400 3.705 5 HB VAL 1 HB VAL 1 4.603 19.593 2.656 6 1HG1 VAL 1 1HG1 VAL 1 2.413 20.010 1.517 7 2HG1 VAL 1 2HG1 VAL 1 2.240 21.572 2.386 8 3HG1 VAL 1 3HG1 VAL 1 2.232 19.996 3.288 9 1HG2 VAL 1 1HG2 VAL 1 4.338 20.646 0.394 10 2HG2 VAL 1 2HG2 VAL 1 5.869 21.137 1.173 11 3HG2 VAL 1 3HG2 VAL 1 4.461 22.276 1.135 12 H VAL 2 H VAL 2 2.355 21.335 4.996 13 HA VAL 2 HA VAL 2 3.541 20.636 7.516 14 HB VAL 2 HB VAL 2 0.745 21.459 6.745 15 1HG1 VAL 2 1HG1 VAL 2 2.045 20.990 9.518 16 2HG1 VAL 2 2HG1 VAL 2 0.627 20.095 8.840 17 3HG1 VAL 2 3HG1 VAL 2 0.492 21.835 9.236 18 1HG2 VAL 2 1HG2 VAL 2 3.096 22.920 8.136 19 2HG2 VAL 2 2HG2 VAL 2 1.439 23.570 7.903 20 3HG2 VAL 2 3HG2 VAL 2 2.481 23.269 6.476 21 H SER 3 H SER 3 3.075 18.864 8.754 22 HA SER 3 HA SER 3 2.679 16.498 7.283 23 1HB SER 3 2HB SER 3 2.938 16.958 10.310 24 2HB SER 3 1HB SER 3 3.088 15.375 9.471 25 HG SER 3 HG SER 3 5.029 16.303 9.950 26 H HIS 4 H HIS 4 0.476 16.426 6.563 27 HA HIS 4 HA HIS 4 -1.222 15.365 8.705 28 1HB HIS 4 2HB HIS 4 -2.198 16.975 6.295 29 2HB HIS 4 1HB HIS 4 -3.251 16.072 7.434 30 HD1 HIS 4 1HD HIS 4 -1.829 19.361 6.956 31 HD2 HIS 4 2HD HIS 4 -3.136 17.079 10.222 32 HE1 HIS 4 1HE HIS 4 -2.232 20.966 8.856 33 HE2 HIS 4 2HE HIS 4 -3.023 19.581 10.794 34 H PHE 5 H PHE 5 -2.608 13.685 8.101 35 HA PHE 5 HA PHE 5 -1.510 11.999 5.989 36 1HB PHE 5 2HB PHE 5 -1.588 11.227 8.425 37 2HB PHE 5 1HB PHE 5 -3.369 11.359 8.365 38 HD1 PHE 5 1HD PHE 5 -0.429 9.473 7.330 39 HD2 PHE 5 2HD PHE 5 -4.651 9.771 7.032 40 HE1 PHE 5 1HE PHE 5 -0.530 7.158 6.541 41 HE2 PHE 5 2HE PHE 5 -4.762 7.458 6.233 42 HZ PHE 5 HZ PHE 5 -2.702 6.143 5.985 43 H ASN 6 H ASN 6 -2.832 11.382 4.250 44 HA ASN 6 HA ASN 6 -5.620 12.287 4.309 45 1HB ASN 6 2HB ASN 6 -3.490 12.987 2.216 46 2HB ASN 6 1HB ASN 6 -5.251 13.294 1.984 47 1HD2 ASN 6 1HD2 ASN 6 -2.338 14.315 3.765 48 2HD2 ASN 6 2HD2 ASN 6 -2.957 15.927 4.021 49 H ASP 7 H ASP 7 -6.642 11.694 2.066 50 HA ASP 7 HA ASP 7 -6.198 8.901 1.623 51 1HB ASP 7 2HB ASP 7 -8.327 9.121 0.303 52 2HB ASP 7 1HB ASP 7 -8.467 9.606 2.021 53 H CYS 8 H CYS 8 -6.337 8.085 -0.645 54 HA CYS 8 HA CYS 8 -4.105 9.249 -1.956 55 1HB CYS 8 2HB CYS 8 -5.821 6.852 -2.764 56 2HB CYS 8 1HB CYS 8 -4.178 7.216 -3.379 57 HA PRO 9 HA PRO 9 -6.250 11.176 -5.246 58 1HB PRO 9 2HB PRO 9 -4.572 9.409 -7.128 59 2HB PRO 9 1HB PRO 9 -4.952 11.173 -7.324 60 1HG PRO 9 2HG PRO 9 -2.534 10.463 -6.283 61 2HG PRO 9 1HG PRO 9 -3.507 11.739 -5.428 62 1HD PRO 9 2HD PRO 9 -3.301 8.756 -4.735 63 2HD PRO 9 1HD PRO 9 -3.221 10.216 -3.635 64 H LEU 10 H LEU 10 -7.522 10.859 -7.366 65 HA LEU 10 HA LEU 10 -9.614 9.282 -6.655 66 1HB LEU 10 2HB LEU 10 -8.991 10.351 -9.453 67 2HB LEU 10 1HB LEU 10 -10.604 9.900 -8.820 68 HG LEU 10 HG LEU 10 -8.848 12.241 -7.890 69 1HD1 LEU 10 1HD1 LEU 10 -10.648 13.639 -8.858 70 2HD1 LEU 10 2HD1 LEU 10 -11.562 12.168 -9.350 71 3HD1 LEU 10 3HD1 LEU 10 -9.969 12.530 -10.112 72 1HD2 LEU 10 1HD2 LEU 10 -11.631 11.361 -6.878 73 2HD2 LEU 10 2HD2 LEU 10 -10.816 12.921 -6.492 74 3HD2 LEU 10 3HD2 LEU 10 -10.105 11.374 -5.913 75 H SER 11 H SER 11 -7.029 8.460 -8.902 76 HA SER 11 HA SER 11 -8.143 5.751 -9.093 77 1HB SER 11 2HB SER 11 -6.445 5.485 -11.009 78 2HB SER 11 1HB SER 11 -7.894 6.487 -11.295 79 HG SER 11 HG SER 11 -5.235 7.287 -11.068 80 H HIS 12 H HIS 12 -6.910 4.025 -8.514 81 HA HIS 12 HA HIS 12 -4.778 4.437 -6.693 82 1HB HIS 12 2HB HIS 12 -5.715 1.880 -8.099 83 2HB HIS 12 1HB HIS 12 -4.624 1.947 -6.674 84 HD1 HIS 12 1HD HIS 12 -6.825 0.268 -5.955 85 HD2 HIS 12 2HD HIS 12 -7.321 4.438 -5.847 86 HE1 HIS 12 1HE HIS 12 -8.774 0.724 -4.483 87 HE2 HIS 12 2HE HIS 12 -9.017 3.234 -4.361 88 H ASP 13 H ASP 13 -2.524 3.791 -6.966 89 HA ASP 13 HA ASP 13 -1.506 4.919 -9.196 90 1HB ASP 13 2HB ASP 13 -0.383 3.195 -6.952 91 2HB ASP 13 1HB ASP 13 0.706 3.697 -8.293 92 H GLY 14 H GLY 14 -0.110 4.306 -10.841 93 1HA GLY 14 2HA GLY 14 -1.105 1.998 -12.224 94 2HA GLY 14 1HA GLY 14 0.046 3.262 -12.793 95 H TYR 15 H TYR 15 1.869 2.996 -10.617 96 HA TYR 15 HA TYR 15 3.376 0.783 -11.517 97 1HB TYR 15 2HB TYR 15 4.059 3.200 -10.602 98 2HB TYR 15 1HB TYR 15 4.030 2.412 -8.994 99 HD1 TYR 15 1HD TYR 15 5.844 0.926 -8.429 100 HD2 TYR 15 2HD TYR 15 5.400 2.325 -12.416 101 HE1 TYR 15 1HE TYR 15 8.054 0.045 -8.981 102 HE2 TYR 15 2HE TYR 15 7.597 1.452 -12.983 103 HH TYR 15 HH TYR 15 9.561 0.701 -12.111 104 H CYS 16 H CYS 16 1.098 1.201 -8.942 105 HA CYS 16 HA CYS 16 2.167 -1.018 -7.412 106 1HB CYS 16 2HB CYS 16 -0.275 0.750 -6.940 107 2HB CYS 16 1HB CYS 16 0.341 -0.498 -5.813 108 H LEU 17 H LEU 17 1.529 -3.064 -7.632 109 HA LEU 17 HA LEU 17 -1.055 -3.618 -8.920 110 1HB LEU 17 2HB LEU 17 -0.112 -5.755 -9.716 111 2HB LEU 17 1HB LEU 17 0.587 -4.322 -10.500 112 HG LEU 17 HG LEU 17 2.091 -5.310 -8.087 113 1HD1 LEU 17 1HD1 LEU 17 2.024 -6.939 -10.703 114 2HD1 LEU 17 2HD1 LEU 17 1.362 -7.456 -9.107 115 3HD1 LEU 17 3HD1 LEU 17 3.132 -7.199 -9.294 116 1HD2 LEU 17 1HD2 LEU 17 4.039 -4.792 -9.535 117 2HD2 LEU 17 2HD2 LEU 17 2.892 -3.410 -9.577 118 3HD2 LEU 17 3HD2 LEU 17 2.958 -4.559 -10.963 119 H HIS 18 H HIS 18 -1.951 -5.758 -8.214 120 HA HIS 18 HA HIS 18 -2.746 -7.034 -6.684 121 1HB HIS 18 2HB HIS 18 -0.235 -7.522 -6.354 122 2HB HIS 18 1HB HIS 18 -0.367 -6.578 -4.850 123 HD1 HIS 18 1HD HIS 18 -2.623 -7.646 -3.415 124 HD2 HIS 18 2HD HIS 18 -0.218 -10.125 -5.760 125 HE1 HIS 18 1HE HIS 18 -2.782 -9.997 -2.410 126 HE2 HIS 18 2HE HIS 18 -1.243 -11.431 -3.830 127 H ASP 19 H ASP 19 -3.066 -4.114 -6.677 128 HA ASP 19 HA ASP 19 -3.579 -2.378 -5.482 129 1HB ASP 19 2HB ASP 19 -5.589 -3.691 -6.345 130 2HB ASP 19 1HB ASP 19 -5.933 -4.105 -4.637 131 H GLY 20 H GLY 20 -1.713 -2.385 -4.025 132 1HA GLY 20 2HA GLY 20 -2.130 -3.171 -1.341 133 2HA GLY 20 1HA GLY 20 -0.835 -2.137 -2.042 134 H VAL 21 H VAL 21 -2.166 -1.748 0.522 135 HA VAL 21 HA VAL 21 -4.156 0.250 0.082 136 HB VAL 21 HB VAL 21 -2.869 -0.550 2.700 137 1HG1 VAL 21 1HG1 VAL 21 -5.047 0.382 3.582 138 2HG1 VAL 21 2HG1 VAL 21 -5.510 0.882 1.918 139 3HG1 VAL 21 3HG1 VAL 21 -4.109 1.665 2.740 140 1HG2 VAL 21 1HG2 VAL 21 -3.881 -2.562 1.615 141 2HG2 VAL 21 2HG2 VAL 21 -5.364 -1.618 1.217 142 3HG2 VAL 21 3HG2 VAL 21 -4.947 -1.969 2.927 143 H CYS 22 H CYS 22 -3.614 2.220 -0.584 144 HA CYS 22 HA CYS 22 -0.947 3.141 -0.208 145 1HB CYS 22 2HB CYS 22 -1.606 4.926 -1.785 146 2HB CYS 22 1HB CYS 22 -1.976 3.277 -2.358 147 H MET 23 H MET 23 -0.355 5.330 0.454 148 HA MET 23 HA MET 23 -2.331 6.705 2.072 149 1HB MET 23 2HB MET 23 -0.761 7.078 3.940 150 2HB MET 23 1HB MET 23 -1.187 5.356 3.754 151 1HG MET 23 2HG MET 23 0.969 4.887 2.636 152 2HG MET 23 1HG MET 23 1.420 6.611 2.718 153 1HE MET 23 1HE MET 23 3.222 4.197 3.734 154 2HE MET 23 2HE MET 23 3.888 4.943 5.218 155 3HE MET 23 3HE MET 23 3.664 5.940 3.738 156 H TYR 24 H TYR 24 -1.899 8.924 2.394 157 HA TYR 24 HA TYR 24 0.244 10.047 0.741 158 1HB TYR 24 2HB TYR 24 -1.912 10.347 -0.443 159 2HB TYR 24 1HB TYR 24 -2.680 10.919 1.077 160 HD1 TYR 24 1HD TYR 24 -3.568 12.626 -0.086 161 HD2 TYR 24 2HD TYR 24 0.677 12.316 0.120 162 HE1 TYR 24 1HE TYR 24 -3.388 14.911 -0.789 163 HE2 TYR 24 2HE TYR 24 0.875 14.616 -0.571 164 HH TYR 24 HH TYR 24 -0.236 16.531 -1.238 165 H ILE 25 H ILE 25 1.665 11.118 2.007 166 HA ILE 25 HA ILE 25 0.661 12.309 4.474 167 HB ILE 25 HB ILE 25 3.100 12.066 5.171 168 1HG1 ILE 25 2HG1 ILE 25 3.761 11.028 2.861 169 2HG1 ILE 25 1HG1 ILE 25 4.419 10.400 4.394 170 1HG2 ILE 25 1HG2 ILE 25 1.030 9.791 5.176 171 2HG2 ILE 25 2HG2 ILE 25 1.165 11.156 6.341 172 3HG2 ILE 25 3HG2 ILE 25 2.455 9.903 6.274 173 1HD1 ILE 25 1HD1 ILE 25 3.799 8.579 2.776 174 2HD1 ILE 25 2HD1 ILE 25 2.070 9.058 2.911 175 3HD1 ILE 25 3HD1 ILE 25 2.947 8.441 4.351 176 H GLU 26 H GLU 26 0.526 14.391 4.273 177 HA GLU 26 HA GLU 26 1.539 15.697 2.058 178 1HB GLU 26 2HB GLU 26 -0.110 16.479 4.417 179 2HB GLU 26 1HB GLU 26 0.737 17.798 3.552 180 1HG GLU 26 2HG GLU 26 -0.190 17.004 1.366 181 2HG GLU 26 1HG GLU 26 -1.205 15.807 2.238 182 H ALA 27 H ALA 27 3.265 15.242 5.003 183 HA ALA 27 HA ALA 27 4.478 17.580 5.444 184 1HB ALA 27 1HB ALA 27 4.758 15.518 6.810 185 2HB ALA 27 2HB ALA 27 6.354 16.230 6.402 186 3HB ALA 27 3HB ALA 27 5.751 14.780 5.512 187 H LEU 28 H LEU 28 5.813 15.196 3.131 188 HA LEU 28 HA LEU 28 7.107 17.492 1.798 189 1HB LEU 28 2HB LEU 28 7.941 14.562 1.836 190 2HB LEU 28 1HB LEU 28 8.658 15.847 0.811 191 HG LEU 28 HG LEU 28 8.763 17.079 3.274 192 1HD1 LEU 28 1HD1 LEU 28 9.327 14.094 3.830 193 2HD1 LEU 28 2HD1 LEU 28 7.950 15.058 4.496 194 3HD1 LEU 28 3HD1 LEU 28 9.641 15.480 4.947 195 1HD2 LEU 28 1HD2 LEU 28 10.524 16.953 1.574 196 2HD2 LEU 28 2HD2 LEU 28 10.902 15.243 2.042 197 3HD2 LEU 28 3HD2 LEU 28 11.180 16.593 3.216 198 H ASP 29 H ASP 29 4.389 15.845 1.673 199 HA ASP 29 HA ASP 29 2.874 15.287 0.289 200 1HB ASP 29 2HB ASP 29 3.500 17.594 -0.617 201 2HB ASP 29 1HB ASP 29 4.278 16.739 -1.999 202 H LYS 30 H LYS 30 4.256 13.233 0.851 203 HA LYS 30 HA LYS 30 4.781 11.845 -1.685 204 1HB LYS 30 2HB LYS 30 6.100 11.362 1.025 205 2HB LYS 30 1HB LYS 30 6.470 10.495 -0.498 206 1HG LYS 30 2HG LYS 30 7.015 13.448 0.118 207 2HG LYS 30 1HG LYS 30 8.220 12.129 0.002 208 1HD LYS 30 2HD LYS 30 7.639 11.804 -2.409 209 2HD LYS 30 1HD LYS 30 6.371 13.068 -2.253 210 1HE LYS 30 2HE LYS 30 8.111 14.811 -1.766 211 2HE LYS 30 1HE LYS 30 9.408 13.579 -2.052 212 1HZ LYS 30 1HZ LYS 30 8.783 14.944 -4.037 213 2HZ LYS 30 2HZ LYS 30 7.255 14.262 -4.006 214 3HZ LYS 30 3HZ LYS 30 8.585 13.269 -4.273 215 H TYR 31 H TYR 31 4.709 9.454 -1.476 216 HA TYR 31 HA TYR 31 2.237 8.749 -0.068 217 1HB TYR 31 2HB TYR 31 2.688 7.784 -2.921 218 2HB TYR 31 1HB TYR 31 1.155 8.052 -2.032 219 HD1 TYR 31 1HD TYR 31 3.742 9.450 -4.098 220 HD2 TYR 31 2HD TYR 31 0.326 10.377 -1.780 221 HE1 TYR 31 1HE TYR 31 3.722 11.729 -5.055 222 HE2 TYR 31 2HE TYR 31 0.275 12.646 -2.744 223 HH TYR 31 HH TYR 31 2.078 14.244 -3.665 224 H ALA 32 H ALA 32 1.846 6.292 -0.328 225 HA ALA 32 HA ALA 32 3.889 4.820 -1.466 226 1HB ALA 32 1HB ALA 32 3.700 4.527 1.599 227 2HB ALA 32 2HB ALA 32 5.129 5.164 0.713 228 3HB ALA 32 3HB ALA 32 4.658 3.445 0.522 229 H CYS 33 H CYS 33 3.191 2.795 -2.050 230 HA CYS 33 HA CYS 33 0.555 1.941 -1.214 231 1HB CYS 33 2HB CYS 33 2.598 0.737 -3.139 232 2HB CYS 33 1HB CYS 33 0.960 0.076 -2.856 233 H ASN 34 H ASN 34 0.396 0.844 0.735 234 HA ASN 34 HA ASN 34 2.713 -0.668 1.590 235 1HB ASN 34 2HB ASN 34 0.114 0.005 3.047 236 2HB ASN 34 1HB ASN 34 1.511 -0.889 3.750 237 1HD2 ASN 34 1HD2 ASN 34 0.171 2.042 3.990 238 2HD2 ASN 34 2HD2 ASN 34 1.604 3.030 4.112 239 H CYS 35 H CYS 35 2.742 -2.800 2.181 240 HA CYS 35 HA CYS 35 0.875 -4.417 0.629 241 1HB CYS 35 2HB CYS 35 3.723 -4.948 1.599 242 2HB CYS 35 1HB CYS 35 2.743 -6.113 0.665 243 H VAL 36 H VAL 36 0.866 -6.734 1.460 244 HA VAL 36 HA VAL 36 -0.600 -6.889 3.707 245 HB VAL 36 HB VAL 36 0.865 -9.387 3.096 246 1HG1 VAL 36 1HG1 VAL 36 -1.445 -10.185 2.773 247 2HG1 VAL 36 2HG1 VAL 36 -2.074 -8.501 2.829 248 3HG1 VAL 36 3HG1 VAL 36 -1.348 -9.244 4.307 249 1HG2 VAL 36 1HG2 VAL 36 -0.534 -7.937 0.784 250 2HG2 VAL 36 2HG2 VAL 36 -0.032 -9.653 0.837 251 3HG2 VAL 36 3HG2 VAL 36 1.227 -8.392 0.871 252 H VAL 37 H VAL 37 -0.292 -7.957 5.810 253 HA VAL 37 HA VAL 37 2.472 -8.034 6.685 254 HB VAL 37 HB VAL 37 0.864 -7.053 8.177 255 1HG1 VAL 37 1HG1 VAL 37 -0.258 -9.907 8.520 256 2HG1 VAL 37 2HG1 VAL 37 -1.121 -8.568 7.656 257 3HG1 VAL 37 3HG1 VAL 37 -0.741 -8.431 9.410 258 1HG2 VAL 37 1HG2 VAL 37 1.702 -8.253 10.177 259 2HG2 VAL 37 2HG2 VAL 37 3.016 -8.072 8.957 260 3HG2 VAL 37 3HG2 VAL 37 2.185 -9.661 9.182 261 H GLY 38 H GLY 38 3.678 -9.835 6.731 262 1HA GLY 38 2HA GLY 38 4.132 -12.050 6.763 263 2HA GLY 38 1HA GLY 38 2.380 -12.436 6.514 264 H TYR 39 H TYR 39 5.138 -10.810 4.888 265 HA TYR 39 HA TYR 39 3.935 -11.550 2.306 266 1HB TYR 39 2HB TYR 39 2.833 -9.561 2.896 267 2HB TYR 39 1HB TYR 39 4.164 -9.028 3.967 268 HD1 TYR 39 1HD TYR 39 5.641 -7.493 3.289 269 HD2 TYR 39 2HD TYR 39 3.369 -9.609 0.457 270 HE1 TYR 39 1HE TYR 39 6.709 -6.149 1.487 271 HE2 TYR 39 2HE TYR 39 4.417 -8.351 -1.388 272 HH TYR 39 HH TYR 39 6.489 -7.120 -1.797 273 H ILE 40 H ILE 40 5.294 -11.743 0.589 274 HA ILE 40 HA ILE 40 7.925 -10.625 0.802 275 HB ILE 40 HB ILE 40 8.801 -12.682 -0.526 276 1HG1 ILE 40 2HG1 ILE 40 6.881 -14.179 1.309 277 2HG1 ILE 40 1HG1 ILE 40 6.372 -13.766 -0.346 278 1HG2 ILE 40 1HG2 ILE 40 9.726 -13.565 1.555 279 2HG2 ILE 40 2HG2 ILE 40 8.425 -12.766 2.512 280 3HG2 ILE 40 3HG2 ILE 40 9.651 -11.769 1.638 281 1HD1 ILE 40 1HD1 ILE 40 7.381 -16.061 -0.235 282 2HD1 ILE 40 2HD1 ILE 40 8.955 -15.342 0.279 283 3HD1 ILE 40 3HD1 ILE 40 8.284 -14.972 -1.341 284 H GLY 41 H GLY 41 8.930 -10.578 -1.477 285 1HA GLY 41 2HA GLY 41 8.621 -10.830 -3.760 286 2HA GLY 41 1HA GLY 41 6.842 -10.773 -3.554 287 H GLU 42 H GLU 42 9.382 -9.108 -4.757 288 HA GLU 42 HA GLU 42 9.575 -6.845 -3.266 289 1HB GLU 42 2HB GLU 42 10.253 -7.201 -6.230 290 2HB GLU 42 1HB GLU 42 10.967 -6.010 -5.105 291 1HG GLU 42 2HG GLU 42 11.307 -9.090 -5.041 292 2HG GLU 42 1HG GLU 42 12.535 -7.856 -5.461 293 H ARG 43 H ARG 43 7.613 -7.359 -6.169 294 HA ARG 43 HA ARG 43 6.711 -4.582 -6.026 295 1HB ARG 43 2HB ARG 43 5.745 -4.927 -8.202 296 2HB ARG 43 1HB ARG 43 7.479 -5.328 -8.168 297 1HG ARG 43 2HG ARG 43 6.923 -7.788 -8.120 298 2HG ARG 43 1HG ARG 43 5.188 -7.385 -8.168 299 1HD ARG 43 2HD ARG 43 5.579 -6.102 -10.337 300 2HD ARG 43 1HD ARG 43 7.304 -6.563 -10.308 301 HE ARG 43 HE ARG 43 5.032 -8.183 -11.131 302 1HH1 ARG 43 1HH1 ARG 43 8.526 -8.239 -10.419 303 2HH1 ARG 43 2HH1 ARG 43 8.716 -9.831 -10.999 304 1HH2 ARG 43 1HH2 ARG 43 5.356 -10.330 -11.903 305 2HH2 ARG 43 2HH2 ARG 43 6.982 -10.965 -11.874 306 H CYS 44 H CYS 44 6.014 -6.298 -3.958 307 HA CYS 44 HA CYS 44 4.341 -6.477 -2.561 308 1HB CYS 44 2HB CYS 44 3.688 -4.255 -3.722 309 2HB CYS 44 1HB CYS 44 2.366 -5.192 -4.458 310 H GLN 45 H GLN 45 4.969 -8.541 -4.390 311 HA GLN 45 HA GLN 45 2.544 -9.461 -5.497 312 1HB GLN 45 2HB GLN 45 4.896 -9.282 -6.498 313 2HB GLN 45 1HB GLN 45 5.306 -10.752 -5.579 314 1HG GLN 45 2HG GLN 45 4.794 -11.440 -7.787 315 2HG GLN 45 1HG GLN 45 3.342 -11.922 -6.839 316 1HE2 GLN 45 1HE2 GLN 45 4.043 -10.996 -9.751 317 2HE2 GLN 45 2HE2 GLN 45 2.796 -9.826 -10.132 318 H TYR 46 H TYR 46 4.690 -11.100 -3.011 319 HA TYR 46 HA TYR 46 2.854 -13.365 -3.264 320 1HB TYR 46 2HB TYR 46 5.635 -13.312 -2.079 321 2HB TYR 46 1HB TYR 46 4.675 -14.764 -2.533 322 HD1 TYR 46 1HD TYR 46 7.510 -13.498 -3.144 323 HD2 TYR 46 2HD TYR 46 3.947 -14.128 -5.374 324 HE1 TYR 46 1HE TYR 46 8.833 -13.743 -5.163 325 HE2 TYR 46 2HE TYR 46 5.273 -14.406 -7.402 326 HH TYR 46 HH TYR 46 8.838 -14.227 -7.321 327 H ARG 47 H ARG 47 2.633 -14.715 -1.264 328 HA ARG 47 HA ARG 47 2.596 -13.053 1.167 329 1HB ARG 47 2HB ARG 47 0.635 -15.171 0.172 330 2HB ARG 47 1HB ARG 47 0.550 -14.412 1.791 331 1HG ARG 47 2HG ARG 47 0.013 -12.237 0.836 332 2HG ARG 47 1HG ARG 47 0.419 -12.798 -0.810 333 1HD ARG 47 2HD ARG 47 -1.956 -12.696 -0.711 334 2HD ARG 47 1HD ARG 47 -1.480 -14.438 -0.765 335 HE ARG 47 HE ARG 47 -2.212 -12.977 1.828 336 1HH1 ARG 47 1HH1 ARG 47 -2.914 -15.859 -0.303 337 2HH1 ARG 47 2HH1 ARG 47 -3.799 -16.546 1.026 338 1HH2 ARG 47 1HH2 ARG 47 -3.498 -13.979 3.258 339 2HH2 ARG 47 2HH2 ARG 47 -4.103 -15.607 2.945 340 H ASP 48 H ASP 48 3.150 -14.152 3.129 341 HA ASP 48 HA ASP 48 4.631 -16.587 2.893 342 1HB ASP 48 2HB ASP 48 3.648 -14.855 5.215 343 2HB ASP 48 1HB ASP 48 4.277 -16.498 5.537 344 H LEU 49 H LEU 49 3.163 -18.130 1.927 345 HA LEU 49 HA LEU 49 0.673 -18.592 3.201 346 1HB LEU 49 2HB LEU 49 2.120 -20.191 1.044 347 2HB LEU 49 1HB LEU 49 0.410 -20.402 1.528 348 HG LEU 49 HG LEU 49 1.616 -17.906 0.222 349 1HD1 LEU 49 1HD1 LEU 49 1.354 -19.888 -1.292 350 2HD1 LEU 49 2HD1 LEU 49 0.204 -18.565 -1.711 351 3HD1 LEU 49 3HD1 LEU 49 -0.380 -20.020 -0.819 352 1HD2 LEU 49 1HD2 LEU 49 -1.295 -18.503 1.088 353 2HD2 LEU 49 2HD2 LEU 49 -0.774 -17.139 0.036 354 3HD2 LEU 49 3HD2 LEU 49 -0.229 -17.199 1.746 355 H LYS 50 H LYS 50 3.177 -19.142 4.807 356 HA LYS 50 HA LYS 50 3.366 -21.939 5.122 357 1HB LYS 50 2HB LYS 50 4.360 -19.575 6.810 358 2HB LYS 50 1HB LYS 50 4.641 -21.294 7.247 359 1HG LYS 50 2HG LYS 50 6.584 -20.710 6.222 360 2HG LYS 50 1HG LYS 50 5.707 -21.586 4.936 361 1HD LYS 50 2HD LYS 50 5.109 -19.376 3.869 362 2HD LYS 50 1HD LYS 50 5.840 -18.515 5.262 363 1HE LYS 50 2HE LYS 50 7.381 -18.472 3.348 364 2HE LYS 50 1HE LYS 50 8.067 -19.462 4.713 365 1HZ LYS 50 1HZ LYS 50 7.570 -21.435 3.575 366 2HZ LYS 50 2HZ LYS 50 8.238 -20.432 2.405 367 3HZ LYS 50 3HZ LYS 50 6.561 -20.687 2.449 368 H TRP 51 H TRP 51 1.881 -19.442 7.207 369 HA TRP 51 HA TRP 51 0.631 -21.503 8.796 370 1HB TRP 51 2HB TRP 51 -0.284 -19.607 10.107 371 2HB TRP 51 1HB TRP 51 1.501 -19.652 9.999 372 HD1 TRP 51 HD TRP 51 -1.507 -17.494 8.761 373 HE1 TRP 51 1HE TRP 51 -0.565 -15.206 8.084 374 HE3 TRP 51 3HE TRP 51 3.451 -18.535 9.195 375 HZ2 TRP 51 2HZ TRP 51 1.961 -13.986 7.889 376 HZ3 TRP 51 3HZ TRP 51 5.073 -16.758 8.760 377 HH2 TRP 51 HH TRP 51 4.354 -14.526 8.121 378 H TRP 52 H TRP 52 -0.319 -19.305 6.243 379 HA TRP 52 HA TRP 52 -3.054 -19.504 6.547 380 1HB TRP 52 2HB TRP 52 -1.366 -19.057 4.030 381 2HB TRP 52 1HB TRP 52 -3.148 -18.899 4.072 382 HD1 TRP 52 HD TRP 52 -0.225 -16.679 4.377 383 HE1 TRP 52 1HE TRP 52 -1.036 -14.381 5.149 384 HE3 TRP 52 3HE TRP 52 -4.895 -17.988 5.858 385 HZ2 TRP 52 2HZ TRP 52 -3.392 -13.274 6.256 386 HZ3 TRP 52 3HZ TRP 52 -6.405 -16.248 6.666 387 HH2 TRP 52 HH TRP 52 -5.679 -13.928 6.843 388 H GLU 53 H GLU 53 -0.921 -21.696 4.712 389 HA GLU 53 HA GLU 53 -3.223 -23.126 3.721 390 1HB GLU 53 2HB GLU 53 -1.381 -22.742 2.212 391 2HB GLU 53 1HB GLU 53 -0.260 -23.643 3.278 392 1HG GLU 53 2HG GLU 53 -1.384 -25.745 2.860 393 2HG GLU 53 1HG GLU 53 -2.845 -24.926 2.199 394 H LEU 54 H LEU 54 -3.968 -23.424 5.809 395 HA LEU 54 HA LEU 54 -2.874 -25.629 7.336 396 1HB LEU 54 2HB LEU 54 -3.793 -23.477 8.280 397 2HB LEU 54 1HB LEU 54 -5.415 -23.945 7.713 398 HG LEU 54 HG LEU 54 -4.891 -24.233 10.163 399 1HD1 LEU 54 1HD1 LEU 54 -5.754 -26.822 8.758 400 2HD1 LEU 54 2HD1 LEU 54 -6.811 -25.405 9.125 401 3HD1 LEU 54 3HD1 LEU 54 -6.084 -26.360 10.468 402 1HD2 LEU 54 1HD2 LEU 54 -2.550 -25.112 9.968 403 2HD2 LEU 54 2HD2 LEU 54 -3.201 -26.661 9.308 404 3HD2 LEU 54 3HD2 LEU 54 -3.614 -26.159 10.984 Start of MODEL 12 1 1H VAL 1 1HT VAL 1 6.485 19.011 6.613 2 2H VAL 1 2HT VAL 1 5.789 20.229 7.553 3 3H VAL 1 3HT VAL 1 5.098 19.817 6.091 4 HA VAL 1 HA VAL 1 4.829 17.532 6.966 5 HB VAL 1 HB VAL 1 6.566 18.078 8.785 6 1HG1 VAL 1 1HG1 VAL 1 4.015 18.784 10.373 7 2HG1 VAL 1 2HG1 VAL 1 5.257 19.986 9.869 8 3HG1 VAL 1 3HG1 VAL 1 5.692 18.650 10.981 9 1HG2 VAL 1 1HG2 VAL 1 5.547 15.855 8.477 10 2HG2 VAL 1 2HG2 VAL 1 4.113 16.349 9.475 11 3HG2 VAL 1 3HG2 VAL 1 5.744 16.277 10.204 12 H VAL 2 H VAL 2 2.731 16.776 8.001 13 HA VAL 2 HA VAL 2 0.875 18.885 8.512 14 HB VAL 2 HB VAL 2 0.931 18.469 6.036 15 1HG1 VAL 2 1HG1 VAL 2 -0.071 16.408 5.150 16 2HG1 VAL 2 2HG1 VAL 2 -0.262 15.708 6.786 17 3HG1 VAL 2 3HG1 VAL 2 1.387 15.991 6.114 18 1HG2 VAL 2 1HG2 VAL 2 -1.760 17.828 7.393 19 2HG2 VAL 2 2HG2 VAL 2 -1.478 18.473 5.744 20 3HG2 VAL 2 3HG2 VAL 2 -1.039 19.469 7.173 21 H SER 3 H SER 3 -1.157 17.861 9.498 22 HA SER 3 HA SER 3 -0.544 15.216 10.611 23 1HB SER 3 2HB SER 3 -1.953 15.862 12.582 24 2HB SER 3 1HB SER 3 -0.423 16.760 12.402 25 HG SER 3 HG SER 3 -3.031 17.700 11.885 26 H HIS 4 H HIS 4 -1.825 15.717 8.055 27 HA HIS 4 HA HIS 4 -4.441 14.495 8.674 28 1HB HIS 4 2HB HIS 4 -3.523 15.961 6.142 29 2HB HIS 4 1HB HIS 4 -5.020 14.985 6.265 30 HD1 HIS 4 1HD HIS 4 -6.424 16.969 5.698 31 HD2 HIS 4 2HD HIS 4 -4.292 17.493 9.268 32 HE1 HIS 4 1HE HIS 4 -7.316 19.060 6.776 33 HE2 HIS 4 2HE HIS 4 -6.051 19.319 8.957 34 H PHE 5 H PHE 5 -5.037 12.620 7.560 35 HA PHE 5 HA PHE 5 -2.861 11.189 6.216 36 1HB PHE 5 2HB PHE 5 -5.444 10.326 7.630 37 2HB PHE 5 1HB PHE 5 -4.689 9.274 6.382 38 HD1 PHE 5 1HD PHE 5 -4.133 10.816 9.704 39 HD2 PHE 5 2HD PHE 5 -2.653 8.203 6.697 40 HE1 PHE 5 1HE PHE 5 -2.434 9.981 11.262 41 HE2 PHE 5 2HE PHE 5 -0.972 7.363 8.232 42 HZ PHE 5 HZ PHE 5 -0.848 8.252 10.537 43 H ASN 6 H ASN 6 -3.126 10.441 4.153 44 HA ASN 6 HA ASN 6 -5.636 11.004 2.817 45 1HB ASN 6 2HB ASN 6 -2.882 11.995 1.887 46 2HB ASN 6 1HB ASN 6 -4.245 11.760 0.738 47 1HD2 ASN 6 1HD2 ASN 6 -6.432 12.767 1.604 48 2HD2 ASN 6 2HD2 ASN 6 -6.257 14.442 2.041 49 H ASP 7 H ASP 7 -6.344 9.322 1.867 50 HA ASP 7 HA ASP 7 -4.628 7.327 0.649 51 1HB ASP 7 2HB ASP 7 -6.839 6.762 1.764 52 2HB ASP 7 1HB ASP 7 -7.663 7.938 0.686 53 H CYS 8 H CYS 8 -4.151 7.471 -1.561 54 HA CYS 8 HA CYS 8 -3.933 9.891 -2.711 55 1HB CYS 8 2HB CYS 8 -3.987 7.165 -4.035 56 2HB CYS 8 1HB CYS 8 -3.371 8.655 -4.809 57 HA PRO 9 HA PRO 9 -8.136 9.894 -4.200 58 1HB PRO 9 2HB PRO 9 -8.716 12.558 -4.256 59 2HB PRO 9 1HB PRO 9 -8.455 11.636 -2.730 60 1HG PRO 9 2HG PRO 9 -6.469 13.493 -4.130 61 2HG PRO 9 1HG PRO 9 -6.832 13.316 -2.363 62 1HD PRO 9 2HD PRO 9 -4.702 12.007 -3.766 63 2HD PRO 9 1HD PRO 9 -5.378 11.505 -2.166 64 H LEU 10 H LEU 10 -6.283 12.502 -5.788 65 HA LEU 10 HA LEU 10 -7.720 12.163 -8.186 66 1HB LEU 10 2HB LEU 10 -6.509 13.937 -9.107 67 2HB LEU 10 1HB LEU 10 -6.904 14.353 -7.423 68 HG LEU 10 HG LEU 10 -4.154 13.415 -8.436 69 1HD1 LEU 10 1HD1 LEU 10 -4.831 15.599 -9.399 70 2HD1 LEU 10 2HD1 LEU 10 -3.493 15.791 -8.208 71 3HD1 LEU 10 3HD1 LEU 10 -5.181 16.231 -7.741 72 1HD2 LEU 10 1HD2 LEU 10 -4.969 14.610 -5.703 73 2HD2 LEU 10 2HD2 LEU 10 -3.287 14.330 -6.274 74 3HD2 LEU 10 3HD2 LEU 10 -4.359 12.928 -5.996 75 H SER 11 H SER 11 -4.527 11.098 -7.173 76 HA SER 11 HA SER 11 -3.886 10.118 -9.796 77 1HB SER 11 2HB SER 11 -2.164 10.975 -8.134 78 2HB SER 11 1HB SER 11 -2.475 9.510 -7.153 79 HG SER 11 HG SER 11 -0.788 9.059 -8.472 80 H HIS 12 H HIS 12 -3.410 7.878 -10.277 81 HA HIS 12 HA HIS 12 -4.921 5.990 -8.594 82 1HB HIS 12 2HB HIS 12 -4.800 6.014 -11.648 83 2HB HIS 12 1HB HIS 12 -5.380 4.628 -10.656 84 HD1 HIS 12 1HD HIS 12 -6.402 8.093 -11.703 85 HD2 HIS 12 2HD HIS 12 -7.805 5.005 -9.232 86 HE1 HIS 12 1HE HIS 12 -8.738 8.724 -10.986 87 HE2 HIS 12 2HE HIS 12 -9.580 6.848 -9.554 88 H ASP 13 H ASP 13 -4.174 3.886 -8.487 89 HA ASP 13 HA ASP 13 -1.337 3.861 -8.303 90 1HB ASP 13 2HB ASP 13 -3.160 2.998 -6.650 91 2HB ASP 13 1HB ASP 13 -3.224 1.527 -7.670 92 H GLY 14 H GLY 14 -0.149 1.877 -8.935 93 1HA GLY 14 2HA GLY 14 -0.850 0.767 -11.513 94 2HA GLY 14 1HA GLY 14 0.426 2.047 -11.529 95 H TYR 15 H TYR 15 1.972 1.593 -9.411 96 HA TYR 15 HA TYR 15 3.172 -0.882 -10.188 97 1HB TYR 15 2HB TYR 15 4.369 1.363 -9.946 98 2HB TYR 15 1HB TYR 15 4.228 1.166 -8.171 99 HD1 TYR 15 1HD TYR 15 6.184 0.358 -7.245 100 HD2 TYR 15 2HD TYR 15 5.148 -0.947 -11.155 101 HE1 TYR 15 1HE TYR 15 8.211 -0.998 -7.326 102 HE2 TYR 15 2HE TYR 15 7.152 -2.329 -11.229 103 HH TYR 15 HH TYR 15 9.543 -2.256 -8.596 104 H CYS 16 H CYS 16 1.300 0.155 -7.347 105 HA CYS 16 HA CYS 16 2.251 -2.208 -5.934 106 1HB CYS 16 2HB CYS 16 1.820 0.143 -4.927 107 2HB CYS 16 1HB CYS 16 0.093 -0.271 -5.003 108 H LEU 17 H LEU 17 0.914 -4.047 -5.515 109 HA LEU 17 HA LEU 17 -1.477 -4.128 -7.224 110 1HB LEU 17 2HB LEU 17 0.866 -5.985 -6.988 111 2HB LEU 17 1HB LEU 17 -0.739 -6.717 -7.194 112 HG LEU 17 HG LEU 17 -1.121 -5.165 -9.190 113 1HD1 LEU 17 1HD1 LEU 17 0.979 -4.523 -10.449 114 2HD1 LEU 17 2HD1 LEU 17 1.947 -4.899 -8.975 115 3HD1 LEU 17 3HD1 LEU 17 0.751 -3.548 -8.960 116 1HD2 LEU 17 1HD2 LEU 17 -0.036 -6.747 -10.712 117 2HD2 LEU 17 2HD2 LEU 17 -0.718 -7.639 -9.304 118 3HD2 LEU 17 3HD2 LEU 17 1.065 -7.318 -9.405 119 H HIS 18 H HIS 18 -2.896 -5.894 -6.781 120 HA HIS 18 HA HIS 18 -4.526 -6.618 -5.643 121 1HB HIS 18 2HB HIS 18 -2.641 -8.203 -5.042 122 2HB HIS 18 1HB HIS 18 -2.640 -7.465 -3.418 123 HD1 HIS 18 1HD HIS 18 -4.750 -8.142 -1.931 124 HD2 HIS 18 2HD HIS 18 -4.879 -9.741 -5.806 125 HE1 HIS 18 1HE HIS 18 -6.553 -9.884 -1.941 126 HE2 HIS 18 2HE HIS 18 -6.633 -10.814 -4.291 127 H ASP 19 H ASP 19 -4.680 -4.028 -5.452 128 HA ASP 19 HA ASP 19 -5.490 -2.346 -4.413 129 1HB ASP 19 2HB ASP 19 -6.806 -4.436 -2.629 130 2HB ASP 19 1HB ASP 19 -7.282 -2.697 -2.701 131 H GLY 20 H GLY 20 -3.196 -1.894 -3.877 132 1HA GLY 20 2HA GLY 20 -2.441 -2.189 -1.124 133 2HA GLY 20 1HA GLY 20 -1.591 -1.352 -2.469 134 H VAL 21 H VAL 21 -1.869 -0.370 0.303 135 HA VAL 21 HA VAL 21 -3.819 1.737 0.033 136 HB VAL 21 HB VAL 21 -1.884 1.165 2.288 137 1HG1 VAL 21 1HG1 VAL 21 -4.380 2.990 2.018 138 2HG1 VAL 21 2HG1 VAL 21 -2.677 3.551 2.237 139 3HG1 VAL 21 3HG1 VAL 21 -3.497 2.640 3.549 140 1HG2 VAL 21 1HG2 VAL 21 -4.857 0.428 1.865 141 2HG2 VAL 21 2HG2 VAL 21 -3.944 0.247 3.404 142 3HG2 VAL 21 3HG2 VAL 21 -3.476 -0.732 1.971 143 H CYS 22 H CYS 22 -3.271 3.413 -1.211 144 HA CYS 22 HA CYS 22 -0.510 4.138 -1.610 145 1HB CYS 22 2HB CYS 22 -2.106 3.946 -3.482 146 2HB CYS 22 1HB CYS 22 -3.160 5.166 -2.741 147 H MET 23 H MET 23 0.471 5.454 -0.173 148 HA MET 23 HA MET 23 -1.051 7.820 0.689 149 1HB MET 23 2HB MET 23 1.072 6.311 2.270 150 2HB MET 23 1HB MET 23 0.374 7.916 2.690 151 1HG MET 23 2HG MET 23 -1.899 6.876 2.855 152 2HG MET 23 1HG MET 23 -1.189 5.277 2.487 153 1HE MET 23 1HE MET 23 -3.074 6.099 4.836 154 2HE MET 23 2HE MET 23 -2.386 5.217 6.239 155 3HE MET 23 3HE MET 23 -2.482 4.415 4.639 156 H TYR 24 H TYR 24 -0.407 9.117 -0.894 157 HA TYR 24 HA TYR 24 2.450 9.834 -0.958 158 1HB TYR 24 2HB TYR 24 1.610 9.620 -3.252 159 2HB TYR 24 1HB TYR 24 0.131 10.542 -2.820 160 HD1 TYR 24 1HD TYR 24 0.131 12.198 -4.223 161 HD2 TYR 24 2HD TYR 24 3.736 11.459 -2.087 162 HE1 TYR 24 1HE TYR 24 0.984 14.320 -4.962 163 HE2 TYR 24 2HE TYR 24 4.615 13.593 -2.821 164 HH TYR 24 HH TYR 24 4.016 15.680 -3.768 165 H ILE 25 H ILE 25 2.991 11.297 0.585 166 HA ILE 25 HA ILE 25 0.874 13.022 1.591 167 HB ILE 25 HB ILE 25 3.623 12.645 2.756 168 1HG1 ILE 25 2HG1 ILE 25 1.045 11.029 3.178 169 2HG1 ILE 25 1HG1 ILE 25 2.650 10.412 2.656 170 1HG2 ILE 25 1HG2 ILE 25 0.831 13.626 3.660 171 2HG2 ILE 25 2HG2 ILE 25 2.240 14.701 3.299 172 3HG2 ILE 25 3HG2 ILE 25 2.277 13.590 4.723 173 1HD1 ILE 25 1HD1 ILE 25 1.874 11.561 5.392 174 2HD1 ILE 25 2HD1 ILE 25 3.596 11.318 4.889 175 3HD1 ILE 25 3HD1 ILE 25 2.482 9.903 5.004 176 H GLU 26 H GLU 26 0.812 14.919 0.410 177 HA GLU 26 HA GLU 26 2.861 15.726 -1.274 178 1HB GLU 26 2HB GLU 26 0.443 16.133 -1.561 179 2HB GLU 26 1HB GLU 26 0.454 17.262 -0.171 180 1HG GLU 26 2HG GLU 26 1.980 18.808 -1.426 181 2HG GLU 26 1HG GLU 26 2.076 17.628 -2.786 182 H ALA 27 H ALA 27 1.952 16.829 1.955 183 HA ALA 27 HA ALA 27 3.686 18.950 2.207 184 1HB ALA 27 1HB ALA 27 3.253 18.623 4.664 185 2HB ALA 27 2HB ALA 27 2.598 16.972 4.308 186 3HB ALA 27 3HB ALA 27 1.758 18.437 3.693 187 H LEU 28 H LEU 28 4.311 15.532 3.057 188 HA LEU 28 HA LEU 28 6.971 16.245 3.934 189 1HB LEU 28 2HB LEU 28 5.495 13.582 3.837 190 2HB LEU 28 1HB LEU 28 7.230 13.739 4.229 191 HG LEU 28 HG LEU 28 6.380 15.589 5.944 192 1HD1 LEU 28 1HD1 LEU 28 4.262 14.860 7.084 193 2HD1 LEU 28 2HD1 LEU 28 4.020 13.622 5.807 194 3HD1 LEU 28 3HD1 LEU 28 3.952 15.380 5.374 195 1HD2 LEU 28 1HD2 LEU 28 6.318 12.538 6.400 196 2HD2 LEU 28 2HD2 LEU 28 6.470 13.788 7.697 197 3HD2 LEU 28 3HD2 LEU 28 7.765 13.611 6.457 198 H ASP 29 H ASP 29 5.416 15.278 1.060 199 HA ASP 29 HA ASP 29 5.990 15.408 -0.960 200 1HB ASP 29 2HB ASP 29 7.693 17.063 -0.223 201 2HB ASP 29 1HB ASP 29 8.891 15.745 -0.048 202 H LYS 30 H LYS 30 6.320 12.811 0.792 203 HA LYS 30 HA LYS 30 7.665 11.285 -1.338 204 1HB LYS 30 2HB LYS 30 7.682 10.545 1.599 205 2HB LYS 30 1HB LYS 30 8.622 9.812 0.261 206 1HG LYS 30 2HG LYS 30 8.930 12.614 1.446 207 2HG LYS 30 1HG LYS 30 10.046 11.250 1.684 208 1HD LYS 30 2HD LYS 30 10.823 11.353 -0.612 209 2HD LYS 30 1HD LYS 30 9.441 12.349 -1.111 210 1HE LYS 30 2HE LYS 30 10.320 14.192 0.541 211 2HE LYS 30 1HE LYS 30 11.854 13.242 0.575 212 1HZ LYS 30 1HZ LYS 30 11.689 13.385 -1.951 213 2HZ LYS 30 2HZ LYS 30 12.153 14.748 -1.092 214 3HZ LYS 30 3HZ LYS 30 10.580 14.648 -1.720 215 H TYR 31 H TYR 31 7.151 9.256 -1.776 216 HA TYR 31 HA TYR 31 4.293 8.687 -1.483 217 1HB TYR 31 2HB TYR 31 6.457 7.752 -3.467 218 2HB TYR 31 1HB TYR 31 4.785 7.114 -3.469 219 HD1 TYR 31 1HD TYR 31 3.169 8.128 -4.641 220 HD2 TYR 31 2HD TYR 31 6.759 10.251 -3.900 221 HE1 TYR 31 1HE TYR 31 2.546 9.775 -6.358 222 HE2 TYR 31 2HE TYR 31 6.142 11.912 -5.575 223 HH TYR 31 HH TYR 31 4.766 12.420 -7.225 224 H ALA 32 H ALA 32 3.545 6.732 -0.571 225 HA ALA 32 HA ALA 32 5.228 4.546 -1.173 226 1HB ALA 32 1HB ALA 32 5.326 3.537 1.127 227 2HB ALA 32 2HB ALA 32 4.432 4.963 1.782 228 3HB ALA 32 3HB ALA 32 6.102 5.156 1.149 229 H CYS 33 H CYS 33 4.325 2.524 -1.065 230 HA CYS 33 HA CYS 33 1.426 2.424 -0.648 231 1HB CYS 33 2HB CYS 33 2.327 1.611 -2.872 232 2HB CYS 33 1HB CYS 33 3.258 0.366 -1.999 233 H ASN 34 H ASN 34 0.629 1.054 0.948 234 HA ASN 34 HA ASN 34 2.566 -0.683 2.319 235 1HB ASN 34 2HB ASN 34 1.844 1.214 3.783 236 2HB ASN 34 1HB ASN 34 0.136 0.746 3.523 237 1HD2 ASN 34 1HD2 ASN 34 -0.567 -0.142 5.415 238 2HD2 ASN 34 2HD2 ASN 34 0.219 -1.422 6.290 239 H CYS 35 H CYS 35 1.988 -2.789 2.580 240 HA CYS 35 HA CYS 35 -0.536 -3.613 1.378 241 1HB CYS 35 2HB CYS 35 0.552 -5.404 0.218 242 2HB CYS 35 1HB CYS 35 1.325 -3.856 -0.205 243 H VAL 36 H VAL 36 -0.711 -6.146 1.803 244 HA VAL 36 HA VAL 36 -1.198 -6.256 4.599 245 HB VAL 36 HB VAL 36 -1.626 -8.387 2.498 246 1HG1 VAL 36 1HG1 VAL 36 -2.996 -7.764 5.201 247 2HG1 VAL 36 2HG1 VAL 36 -2.107 -9.272 4.736 248 3HG1 VAL 36 3HG1 VAL 36 -3.660 -8.875 3.956 249 1HG2 VAL 36 1HG2 VAL 36 -3.365 -5.943 3.215 250 2HG2 VAL 36 2HG2 VAL 36 -3.928 -7.365 2.274 251 3HG2 VAL 36 3HG2 VAL 36 -2.637 -6.323 1.600 252 H VAL 37 H VAL 37 -0.675 -8.121 5.926 253 HA VAL 37 HA VAL 37 2.042 -8.882 5.800 254 HB VAL 37 HB VAL 37 0.988 -8.356 7.867 255 1HG1 VAL 37 1HG1 VAL 37 -0.846 -10.791 7.389 256 2HG1 VAL 37 2HG1 VAL 37 -1.361 -9.061 7.404 257 3HG1 VAL 37 3HG1 VAL 37 -0.727 -9.826 8.895 258 1HG2 VAL 37 1HG2 VAL 37 1.715 -10.275 9.207 259 2HG2 VAL 37 2HG2 VAL 37 2.885 -10.008 7.868 260 3HG2 VAL 37 3HG2 VAL 37 1.688 -11.361 7.784 261 H GLY 38 H GLY 38 2.971 -10.775 5.220 262 1HA GLY 38 2HA GLY 38 3.150 -12.898 4.590 263 2HA GLY 38 1HA GLY 38 1.360 -13.074 4.624 264 H TYR 39 H TYR 39 2.630 -10.416 2.873 265 HA TYR 39 HA TYR 39 2.368 -11.845 0.328 266 1HB TYR 39 2HB TYR 39 1.363 -9.046 1.105 267 2HB TYR 39 1HB TYR 39 1.587 -9.582 -0.605 268 HD1 TYR 39 1HD TYR 39 0.092 -11.068 -1.628 269 HD2 TYR 39 2HD TYR 39 -0.267 -10.269 2.527 270 HE1 TYR 39 1HE TYR 39 -2.086 -12.187 -1.603 271 HE2 TYR 39 2HE TYR 39 -2.418 -11.428 2.571 272 HH TYR 39 HH TYR 39 -3.789 -12.907 -0.356 273 H ILE 40 H ILE 40 4.181 -11.840 -0.779 274 HA ILE 40 HA ILE 40 6.300 -9.999 0.083 275 HB ILE 40 HB ILE 40 7.879 -11.854 -0.374 276 1HG1 ILE 40 2HG1 ILE 40 5.334 -13.581 -0.348 277 2HG1 ILE 40 1HG1 ILE 40 6.267 -13.175 -1.825 278 1HG2 ILE 40 1HG2 ILE 40 7.486 -12.888 1.816 279 2HG2 ILE 40 2HG2 ILE 40 5.770 -12.346 1.817 280 3HG2 ILE 40 3HG2 ILE 40 7.105 -11.134 1.905 281 1HD1 ILE 40 1HD1 ILE 40 8.308 -14.277 -0.849 282 2HD1 ILE 40 2HD1 ILE 40 6.920 -15.413 -1.017 283 3HD1 ILE 40 3HD1 ILE 40 7.347 -14.755 0.599 284 H GLY 41 H GLY 41 8.198 -10.111 -1.559 285 1HA GLY 41 2HA GLY 41 8.801 -9.578 -3.681 286 2HA GLY 41 1HA GLY 41 7.079 -9.558 -4.207 287 H GLU 42 H GLU 42 8.706 -7.418 -4.961 288 HA GLU 42 HA GLU 42 8.903 -5.446 -3.023 289 1HB GLU 42 2HB GLU 42 9.708 -4.046 -4.719 290 2HB GLU 42 1HB GLU 42 10.378 -5.666 -4.990 291 1HG GLU 42 2HG GLU 42 8.041 -4.409 -6.588 292 2HG GLU 42 1HG GLU 42 9.761 -4.396 -7.047 293 H ARG 43 H ARG 43 6.456 -6.132 -5.472 294 HA ARG 43 HA ARG 43 4.821 -3.943 -4.387 295 1HB ARG 43 2HB ARG 43 3.573 -4.040 -6.480 296 2HB ARG 43 1HB ARG 43 5.302 -3.688 -6.699 297 1HG ARG 43 2HG ARG 43 5.597 -6.216 -7.301 298 2HG ARG 43 1HG ARG 43 3.805 -6.255 -7.415 299 1HD ARG 43 2HD ARG 43 4.008 -4.243 -9.041 300 2HD ARG 43 1HD ARG 43 5.787 -4.417 -8.952 301 HE ARG 43 HE ARG 43 3.807 -6.254 -10.269 302 1HH1 ARG 43 1HH1 ARG 43 7.386 -5.891 -9.743 303 2HH1 ARG 43 2HH1 ARG 43 7.591 -5.880 -11.468 304 1HH2 ARG 43 1HH2 ARG 43 4.321 -6.824 -12.227 305 2HH2 ARG 43 2HH2 ARG 43 5.995 -6.985 -12.734 306 H CYS 44 H CYS 44 5.306 -6.655 -3.241 307 HA CYS 44 HA CYS 44 4.244 -8.108 -2.069 308 1HB CYS 44 2HB CYS 44 1.902 -6.174 -2.040 309 2HB CYS 44 1HB CYS 44 2.341 -7.386 -0.791 310 H GLN 45 H GLN 45 4.022 -8.954 -4.656 311 HA GLN 45 HA GLN 45 1.257 -9.374 -5.251 312 1HB GLN 45 2HB GLN 45 3.429 -8.965 -6.759 313 2HB GLN 45 1HB GLN 45 3.465 -10.748 -6.788 314 1HG GLN 45 2HG GLN 45 0.953 -10.634 -7.510 315 2HG GLN 45 1HG GLN 45 1.166 -8.850 -7.634 316 1HE2 GLN 45 1HE2 GLN 45 3.825 -8.792 -8.748 317 2HE2 GLN 45 2HE2 GLN 45 3.739 -9.457 -10.354 318 H TYR 46 H TYR 46 3.934 -11.483 -4.127 319 HA TYR 46 HA TYR 46 2.308 -13.792 -4.694 320 1HB TYR 46 2HB TYR 46 5.060 -13.839 -3.383 321 2HB TYR 46 1HB TYR 46 4.262 -15.122 -4.354 322 HD1 TYR 46 1HD TYR 46 6.568 -12.498 -4.376 323 HD2 TYR 46 2HD TYR 46 3.626 -14.353 -6.817 324 HE1 TYR 46 1HE TYR 46 7.664 -11.599 -6.364 325 HE2 TYR 46 2HE TYR 46 4.707 -13.439 -8.819 326 HH TYR 46 HH TYR 46 7.876 -12.032 -8.620 327 H ARG 47 H ARG 47 1.494 -15.258 -3.189 328 HA ARG 47 HA ARG 47 1.238 -14.134 -0.497 329 1HB ARG 47 2HB ARG 47 -0.609 -16.096 -0.535 330 2HB ARG 47 1HB ARG 47 -0.921 -14.408 -0.952 331 1HG ARG 47 2HG ARG 47 -0.150 -16.410 -3.126 332 2HG ARG 47 1HG ARG 47 -1.810 -16.305 -2.485 333 1HD ARG 47 2HD ARG 47 -2.101 -13.991 -3.179 334 2HD ARG 47 1HD ARG 47 -0.376 -13.864 -3.692 335 HE ARG 47 HE ARG 47 -2.108 -16.007 -4.954 336 1HH1 ARG 47 1HH1 ARG 47 -0.308 -12.897 -5.499 337 2HH1 ARG 47 2HH1 ARG 47 -0.425 -13.152 -7.185 338 1HH2 ARG 47 1HH2 ARG 47 -2.437 -15.985 -7.137 339 2HH2 ARG 47 2HH2 ARG 47 -1.947 -14.599 -8.057 340 H ASP 48 H ASP 48 2.353 -14.985 1.107 341 HA ASP 48 HA ASP 48 3.820 -17.409 0.567 342 1HB ASP 48 2HB ASP 48 4.861 -15.204 1.309 343 2HB ASP 48 1HB ASP 48 4.071 -15.432 2.909 344 H LEU 49 H LEU 49 2.279 -19.031 0.800 345 HA LEU 49 HA LEU 49 0.470 -18.890 2.985 346 1HB LEU 49 2HB LEU 49 0.844 -20.958 0.787 347 2HB LEU 49 1HB LEU 49 -0.546 -20.896 1.912 348 HG LEU 49 HG LEU 49 0.198 -18.658 -0.058 349 1HD1 LEU 49 1HD1 LEU 49 -2.008 -20.800 -0.191 350 2HD1 LEU 49 2HD1 LEU 49 -0.526 -20.736 -1.219 351 3HD1 LEU 49 3HD1 LEU 49 -1.780 -19.440 -1.353 352 1HD2 LEU 49 1HD2 LEU 49 -1.046 -17.732 1.881 353 2HD2 LEU 49 2HD2 LEU 49 -2.269 -19.060 1.756 354 3HD2 LEU 49 3HD2 LEU 49 -2.132 -17.830 0.452 355 H LYS 50 H LYS 50 3.528 -19.826 3.345 356 HA LYS 50 HA LYS 50 3.206 -22.391 4.451 357 1HB LYS 50 2HB LYS 50 5.426 -20.325 4.842 358 2HB LYS 50 1HB LYS 50 5.420 -21.958 5.572 359 1HG LYS 50 2HG LYS 50 6.602 -22.520 3.814 360 2HG LYS 50 1HG LYS 50 5.014 -22.765 3.037 361 1HD LYS 50 2HD LYS 50 5.219 -20.528 1.924 362 2HD LYS 50 1HD LYS 50 6.645 -20.152 2.940 363 1HE LYS 50 2HE LYS 50 7.806 -22.219 1.900 364 2HE LYS 50 1HE LYS 50 6.475 -22.234 0.672 365 1HZ LYS 50 1HZ LYS 50 8.324 -21.005 -0.141 366 2HZ LYS 50 2HZ LYS 50 8.443 -20.077 1.250 367 3HZ LYS 50 3HZ LYS 50 7.113 -19.864 0.203 368 H TRP 51 H TRP 51 3.229 -19.174 5.989 369 HA TRP 51 HA TRP 51 2.942 -20.334 8.580 370 1HB TRP 51 2HB TRP 51 2.839 -18.096 9.426 371 2HB TRP 51 1HB TRP 51 4.142 -18.212 8.202 372 HD1 TRP 51 HD TRP 51 3.624 -16.895 5.767 373 HE1 TRP 51 1HE TRP 51 2.023 -14.981 5.237 374 HE3 TRP 51 3HE TRP 51 0.855 -16.980 10.028 375 HZ2 TRP 51 2HZ TRP 51 0.092 -13.436 6.640 376 HZ3 TRP 51 3HZ TRP 51 -0.836 -15.245 10.374 377 HH2 TRP 51 HH TRP 51 -1.211 -13.506 8.719 378 H TRP 52 H TRP 52 0.743 -19.066 6.177 379 HA TRP 52 HA TRP 52 -1.516 -18.848 7.758 380 1HB TRP 52 2HB TRP 52 -1.152 -19.450 4.785 381 2HB TRP 52 1HB TRP 52 -2.769 -19.254 5.524 382 HD1 TRP 52 HD TRP 52 -0.197 -17.063 3.920 383 HE1 TRP 52 1HE TRP 52 -1.006 -14.634 4.158 384 HE3 TRP 52 3HE TRP 52 -3.682 -17.744 7.553 385 HZ2 TRP 52 2HZ TRP 52 -2.884 -13.215 5.687 386 HZ3 TRP 52 3HZ TRP 52 -4.899 -15.799 8.398 387 HH2 TRP 52 HH TRP 52 -4.509 -13.578 7.491 388 H GLU 53 H GLU 53 -0.167 -21.796 6.334 389 HA GLU 53 HA GLU 53 -2.359 -23.236 7.675 390 1HB GLU 53 2HB GLU 53 -2.268 -23.450 5.135 391 2HB GLU 53 1HB GLU 53 -0.714 -24.286 5.348 392 1HG GLU 53 2HG GLU 53 -2.405 -25.978 5.123 393 2HG GLU 53 1HG GLU 53 -1.980 -25.994 6.867 394 H LEU 54 H LEU 54 -1.124 -22.782 9.594 395 HA LEU 54 HA LEU 54 0.667 -24.937 10.198 396 1HB LEU 54 2HB LEU 54 1.928 -22.882 9.183 397 2HB LEU 54 1HB LEU 54 1.574 -22.060 10.719 398 HG LEU 54 HG LEU 54 2.969 -24.803 10.541 399 1HD1 LEU 54 1HD1 LEU 54 4.238 -23.196 9.125 400 2HD1 LEU 54 2HD1 LEU 54 5.154 -23.605 10.626 401 3HD1 LEU 54 3HD1 LEU 54 4.297 -22.020 10.492 402 1HD2 LEU 54 1HD2 LEU 54 2.193 -24.210 12.824 403 2HD2 LEU 54 2HD2 LEU 54 2.996 -22.595 12.696 404 3HD2 LEU 54 3HD2 LEU 54 3.992 -24.101 12.742 Start of MODEL 13 1 1H VAL 1 1HT VAL 1 7.102 18.308 8.230 2 2H VAL 1 2HT VAL 1 6.481 17.641 6.810 3 3H VAL 1 3HT VAL 1 6.274 16.855 8.283 4 HA VAL 1 HA VAL 1 4.755 18.309 9.091 5 HB VAL 1 HB VAL 1 6.035 20.300 8.589 6 1HG1 VAL 1 1HG1 VAL 1 5.786 21.480 6.430 7 2HG1 VAL 1 2HG1 VAL 1 4.867 20.114 5.734 8 3HG1 VAL 1 3HG1 VAL 1 6.604 19.904 6.184 9 1HG2 VAL 1 1HG2 VAL 1 3.664 20.489 9.374 10 2HG2 VAL 1 2HG2 VAL 1 3.104 20.567 7.658 11 3HG2 VAL 1 3HG2 VAL 1 4.166 21.845 8.318 12 H VAL 2 H VAL 2 2.495 18.082 8.705 13 HA VAL 2 HA VAL 2 1.727 17.524 5.975 14 HB VAL 2 HB VAL 2 2.198 15.373 7.032 15 1HG1 VAL 2 1HG1 VAL 2 0.005 16.149 9.067 16 2HG1 VAL 2 2HG1 VAL 2 1.763 15.961 9.428 17 3HG1 VAL 2 3HG1 VAL 2 0.785 14.549 8.900 18 1HG2 VAL 2 1HG2 VAL 2 -0.818 15.864 6.591 19 2HG2 VAL 2 2HG2 VAL 2 0.053 14.303 6.474 20 3HG2 VAL 2 3HG2 VAL 2 0.404 15.606 5.285 21 H SER 3 H SER 3 -0.409 18.248 5.511 22 HA SER 3 HA SER 3 -1.432 19.991 7.654 23 1HB SER 3 2HB SER 3 -0.574 20.975 5.434 24 2HB SER 3 1HB SER 3 -2.045 20.285 4.685 25 HG SER 3 HG SER 3 -2.446 22.373 5.386 26 H HIS 4 H HIS 4 -2.571 17.901 4.946 27 HA HIS 4 HA HIS 4 -4.718 17.001 6.732 28 1HB HIS 4 2HB HIS 4 -4.947 17.605 3.734 29 2HB HIS 4 1HB HIS 4 -6.084 16.538 4.606 30 HD1 HIS 4 1HD HIS 4 -7.004 17.947 7.019 31 HD2 HIS 4 2HD HIS 4 -6.438 19.853 3.322 32 HE1 HIS 4 1HE HIS 4 -8.493 19.944 7.002 33 HE2 HIS 4 2HE HIS 4 -8.195 21.038 4.744 34 H PHE 5 H PHE 5 -5.394 14.806 6.265 35 HA PHE 5 HA PHE 5 -3.200 13.232 5.136 36 1HB PHE 5 2HB PHE 5 -5.186 12.820 7.299 37 2HB PHE 5 1HB PHE 5 -5.178 11.441 6.148 38 HD1 PHE 5 1HD PHE 5 -3.332 13.145 8.753 39 HD2 PHE 5 2HD PHE 5 -3.074 10.316 5.597 40 HE1 PHE 5 1HE PHE 5 -1.272 12.248 9.730 41 HE2 PHE 5 2HE PHE 5 -1.000 9.427 6.562 42 HZ PHE 5 HZ PHE 5 -0.096 10.390 8.625 43 H ASN 6 H ASN 6 -3.266 12.613 3.144 44 HA ASN 6 HA ASN 6 -5.850 12.249 1.807 45 1HB ASN 6 2HB ASN 6 -3.255 13.588 0.820 46 2HB ASN 6 1HB ASN 6 -4.534 13.018 -0.298 47 1HD2 ASN 6 1HD2 ASN 6 -5.664 14.734 -1.055 48 2HD2 ASN 6 2HD2 ASN 6 -6.125 16.119 -0.107 49 H ASP 7 H ASP 7 -5.658 10.828 -0.078 50 HA ASP 7 HA ASP 7 -3.823 8.612 0.406 51 1HB ASP 7 2HB ASP 7 -6.213 8.938 -1.513 52 2HB ASP 7 1HB ASP 7 -5.272 7.422 -1.273 53 H CYS 8 H CYS 8 -3.430 7.661 -2.130 54 HA CYS 8 HA CYS 8 -1.783 9.409 -3.516 55 1HB CYS 8 2HB CYS 8 -3.353 6.964 -4.403 56 2HB CYS 8 1HB CYS 8 -2.192 7.816 -5.457 57 HA PRO 9 HA PRO 9 -5.209 11.837 -4.558 58 1HB PRO 9 2HB PRO 9 -3.291 13.263 -6.484 59 2HB PRO 9 1HB PRO 9 -4.517 13.992 -5.371 60 1HG PRO 9 2HG PRO 9 -1.903 13.874 -4.579 61 2HG PRO 9 1HG PRO 9 -3.179 13.318 -3.413 62 1HD PRO 9 2HD PRO 9 -1.466 11.571 -5.278 63 2HD PRO 9 1HD PRO 9 -1.822 11.394 -3.504 64 H LEU 10 H LEU 10 -3.479 11.369 -7.662 65 HA LEU 10 HA LEU 10 -5.809 11.944 -9.078 66 1HB LEU 10 2HB LEU 10 -4.540 11.568 -11.093 67 2HB LEU 10 1HB LEU 10 -3.631 12.496 -9.873 68 HG LEU 10 HG LEU 10 -2.686 9.975 -9.298 69 1HD1 LEU 10 1HD1 LEU 10 -2.163 8.847 -11.476 70 2HD1 LEU 10 2HD1 LEU 10 -3.202 10.033 -12.349 71 3HD1 LEU 10 3HD1 LEU 10 -3.940 8.879 -11.188 72 1HD2 LEU 10 1HD2 LEU 10 -1.643 11.941 -11.431 73 2HD2 LEU 10 2HD2 LEU 10 -0.676 10.637 -10.633 74 3HD2 LEU 10 3HD2 LEU 10 -1.324 12.008 -9.661 75 H SER 11 H SER 11 -4.399 8.835 -8.239 76 HA SER 11 HA SER 11 -6.965 7.614 -8.733 77 1HB SER 11 2HB SER 11 -5.598 7.192 -10.870 78 2HB SER 11 1HB SER 11 -4.384 6.351 -9.853 79 HG SER 11 HG SER 11 -5.639 4.698 -10.138 80 H HIS 12 H HIS 12 -7.239 5.781 -7.346 81 HA HIS 12 HA HIS 12 -5.408 5.683 -5.113 82 1HB HIS 12 2HB HIS 12 -7.922 5.511 -4.818 83 2HB HIS 12 1HB HIS 12 -7.908 4.002 -5.764 84 HD1 HIS 12 1HD HIS 12 -7.229 5.398 -2.407 85 HD2 HIS 12 2HD HIS 12 -6.766 1.712 -4.333 86 HE1 HIS 12 1HE HIS 12 -6.478 3.761 -0.652 87 HE2 HIS 12 2HE HIS 12 -6.415 1.489 -1.839 88 H ASP 13 H ASP 13 -6.444 3.645 -7.863 89 HA ASP 13 HA ASP 13 -4.342 1.753 -7.096 90 1HB ASP 13 2HB ASP 13 -6.957 1.351 -8.611 91 2HB ASP 13 1HB ASP 13 -5.594 0.174 -8.759 92 H GLY 14 H GLY 14 -2.993 0.860 -8.454 93 1HA GLY 14 2HA GLY 14 -2.688 1.238 -11.126 94 2HA GLY 14 1HA GLY 14 -1.841 2.622 -10.323 95 H TYR 15 H TYR 15 -0.572 1.853 -8.316 96 HA TYR 15 HA TYR 15 1.423 0.146 -9.476 97 1HB TYR 15 2HB TYR 15 1.902 2.434 -8.620 98 2HB TYR 15 1HB TYR 15 1.439 1.914 -6.969 99 HD1 TYR 15 1HD TYR 15 3.888 1.452 -9.711 100 HD2 TYR 15 2HD TYR 15 2.894 0.581 -5.677 101 HE1 TYR 15 1HE TYR 15 6.161 0.652 -9.334 102 HE2 TYR 15 2HE TYR 15 5.150 -0.292 -5.299 103 HH TYR 15 HH TYR 15 7.660 -0.011 -7.784 104 H CYS 16 H CYS 16 -0.328 0.150 -6.306 105 HA CYS 16 HA CYS 16 1.306 -2.094 -5.539 106 1HB CYS 16 2HB CYS 16 -0.959 -0.742 -4.002 107 2HB CYS 16 1HB CYS 16 0.156 -1.990 -3.368 108 H LEU 17 H LEU 17 0.773 -4.185 -5.366 109 HA LEU 17 HA LEU 17 -1.736 -5.009 -6.510 110 1HB LEU 17 2HB LEU 17 0.861 -6.423 -5.804 111 2HB LEU 17 1HB LEU 17 -0.622 -7.331 -6.192 112 HG LEU 17 HG LEU 17 -0.791 -6.024 -8.362 113 1HD1 LEU 17 1HD1 LEU 17 2.166 -5.399 -7.721 114 2HD1 LEU 17 2HD1 LEU 17 0.856 -4.199 -8.013 115 3HD1 LEU 17 3HD1 LEU 17 1.404 -5.257 -9.356 116 1HD2 LEU 17 1HD2 LEU 17 0.739 -7.620 -9.506 117 2HD2 LEU 17 2HD2 LEU 17 -0.182 -8.417 -8.180 118 3HD2 LEU 17 3HD2 LEU 17 1.550 -7.978 -7.935 119 H HIS 18 H HIS 18 -2.621 -7.081 -5.498 120 HA HIS 18 HA HIS 18 -4.193 -7.612 -4.109 121 1HB HIS 18 2HB HIS 18 -1.833 -7.711 -2.208 122 2HB HIS 18 1HB HIS 18 -3.392 -8.573 -1.956 123 HD1 HIS 18 1HD HIS 18 -4.024 -10.245 -4.204 124 HD2 HIS 18 2HD HIS 18 -0.010 -9.463 -3.226 125 HE1 HIS 18 1HE HIS 18 -2.671 -12.051 -5.226 126 HE2 HIS 18 2HE HIS 18 -0.265 -11.584 -4.625 127 H ASP 19 H ASP 19 -4.530 -4.912 -4.267 128 HA ASP 19 HA ASP 19 -5.593 -3.271 -3.389 129 1HB ASP 19 2HB ASP 19 -6.413 -5.327 -1.294 130 2HB ASP 19 1HB ASP 19 -7.004 -3.634 -1.250 131 H GLY 20 H GLY 20 -2.798 -3.364 -2.822 132 1HA GLY 20 2HA GLY 20 -2.308 -2.460 -0.253 133 2HA GLY 20 1HA GLY 20 -1.340 -2.116 -1.721 134 H VAL 21 H VAL 21 -2.442 -0.612 0.808 135 HA VAL 21 HA VAL 21 -3.972 1.520 -0.384 136 HB VAL 21 HB VAL 21 -3.022 0.986 2.453 137 1HG1 VAL 21 1HG1 VAL 21 -3.465 3.439 2.099 138 2HG1 VAL 21 2HG1 VAL 21 -4.752 2.683 3.092 139 3HG1 VAL 21 3HG1 VAL 21 -5.061 3.037 1.358 140 1HG2 VAL 21 1HG2 VAL 21 -5.421 0.348 2.827 141 2HG2 VAL 21 2HG2 VAL 21 -4.640 -0.751 1.642 142 3HG2 VAL 21 3HG2 VAL 21 -5.750 0.560 1.072 143 H CYS 22 H CYS 22 -2.786 3.107 -1.464 144 HA CYS 22 HA CYS 22 -0.100 3.610 -0.452 145 1HB CYS 22 2HB CYS 22 0.485 4.483 -2.541 146 2HB CYS 22 1HB CYS 22 -0.341 2.931 -2.778 147 H MET 23 H MET 23 0.673 5.463 0.298 148 HA MET 23 HA MET 23 -0.875 7.902 -0.161 149 1HB MET 23 2HB MET 23 0.441 7.053 2.475 150 2HB MET 23 1HB MET 23 -0.142 8.711 2.103 151 1HG MET 23 2HG MET 23 -2.458 7.876 1.873 152 2HG MET 23 1HG MET 23 -1.921 6.211 2.242 153 1HE MET 23 1HE MET 23 -4.183 8.110 3.555 154 2HE MET 23 2HE MET 23 -4.103 7.482 5.238 155 3HE MET 23 3HE MET 23 -3.942 6.355 3.849 156 H TYR 24 H TYR 24 0.454 8.920 -1.574 157 HA TYR 24 HA TYR 24 3.197 9.458 -0.710 158 1HB TYR 24 2HB TYR 24 3.036 9.108 -3.134 159 2HB TYR 24 1HB TYR 24 1.615 10.216 -3.232 160 HD1 TYR 24 1HD TYR 24 5.288 10.127 -2.519 161 HD2 TYR 24 2HD TYR 24 1.864 12.417 -3.578 162 HE1 TYR 24 1HE TYR 24 6.720 12.007 -3.038 163 HE2 TYR 24 2HE TYR 24 3.281 14.305 -4.116 164 HH TYR 24 HH TYR 24 6.833 14.181 -3.739 165 H ILE 25 H ILE 25 3.640 11.216 0.544 166 HA ILE 25 HA ILE 25 1.461 13.123 0.906 167 HB ILE 25 HB ILE 25 3.832 12.499 2.698 168 1HG1 ILE 25 2HG1 ILE 25 1.682 11.805 4.165 169 2HG1 ILE 25 1HG1 ILE 25 1.014 11.382 2.566 170 1HG2 ILE 25 1HG2 ILE 25 2.446 13.918 4.281 171 2HG2 ILE 25 2HG2 ILE 25 1.274 14.221 2.943 172 3HG2 ILE 25 3HG2 ILE 25 2.973 14.837 2.825 173 1HD1 ILE 25 1HD1 ILE 25 3.681 10.308 3.742 174 2HD1 ILE 25 2HD1 ILE 25 2.952 9.815 2.178 175 3HD1 ILE 25 3HD1 ILE 25 2.111 9.414 3.706 176 H GLU 26 H GLU 26 1.766 14.887 -0.309 177 HA GLU 26 HA GLU 26 4.085 15.276 -1.756 178 1HB GLU 26 2HB GLU 26 1.763 15.832 -2.402 179 2HB GLU 26 1HB GLU 26 1.727 17.156 -1.218 180 1HG GLU 26 2HG GLU 26 3.751 17.017 -3.565 181 2HG GLU 26 1HG GLU 26 2.106 17.704 -3.728 182 H ALA 27 H ALA 27 2.919 16.970 1.129 183 HA ALA 27 HA ALA 27 4.867 18.903 1.309 184 1HB ALA 27 1HB ALA 27 4.190 18.988 3.714 185 2HB ALA 27 2HB ALA 27 3.434 17.368 3.570 186 3HB ALA 27 3HB ALA 27 2.744 18.773 2.666 187 H LEU 28 H LEU 28 5.114 15.485 2.126 188 HA LEU 28 HA LEU 28 7.606 15.922 3.560 189 1HB LEU 28 2HB LEU 28 6.193 13.303 2.839 190 2HB LEU 28 1HB LEU 28 7.558 13.525 3.982 191 HG LEU 28 HG LEU 28 4.677 14.514 4.298 192 1HD1 LEU 28 1HD1 LEU 28 6.336 12.448 5.883 193 2HD1 LEU 28 2HD1 LEU 28 5.060 12.051 4.674 194 3HD1 LEU 28 3HD1 LEU 28 4.623 12.910 6.199 195 1HD2 LEU 28 1HD2 LEU 28 7.083 14.961 6.166 196 2HD2 LEU 28 2HD2 LEU 28 5.350 15.234 6.598 197 3HD2 LEU 28 3HD2 LEU 28 6.104 16.221 5.295 198 H ASP 29 H ASP 29 6.370 14.669 0.528 199 HA ASP 29 HA ASP 29 7.133 13.851 -1.256 200 1HB ASP 29 2HB ASP 29 8.769 15.760 -1.289 201 2HB ASP 29 1HB ASP 29 9.994 14.659 -0.566 202 H LYS 30 H LYS 30 6.912 12.442 1.276 203 HA LYS 30 HA LYS 30 8.522 10.065 0.633 204 1HB LYS 30 2HB LYS 30 7.356 10.871 3.352 205 2HB LYS 30 1HB LYS 30 8.333 9.414 2.990 206 1HG LYS 30 2HG LYS 30 9.288 12.328 2.987 207 2HG LYS 30 1HG LYS 30 9.711 11.027 4.144 208 1HD LYS 30 2HD LYS 30 10.756 9.744 2.192 209 2HD LYS 30 1HD LYS 30 10.386 11.154 1.156 210 1HE LYS 30 2HE LYS 30 11.811 12.609 2.747 211 2HE LYS 30 1HE LYS 30 12.366 11.076 3.531 212 1HZ LYS 30 1HZ LYS 30 12.664 11.904 0.689 213 2HZ LYS 30 2HZ LYS 30 13.011 10.362 1.209 214 3HZ LYS 30 3HZ LYS 30 13.902 11.682 1.832 215 H TYR 31 H TYR 31 7.499 8.032 0.933 216 HA TYR 31 HA TYR 31 4.604 8.177 1.126 217 1HB TYR 31 2HB TYR 31 4.009 7.200 -0.891 218 2HB TYR 31 1HB TYR 31 5.147 8.523 -1.270 219 HD1 TYR 31 1HD TYR 31 4.374 5.117 -1.634 220 HD2 TYR 31 2HD TYR 31 7.571 7.891 -1.717 221 HE1 TYR 31 1HE TYR 31 5.627 3.576 -3.038 222 HE2 TYR 31 2HE TYR 31 8.887 6.346 -3.115 223 HH TYR 31 HH TYR 31 7.612 3.213 -4.177 224 H ALA 32 H ALA 32 3.460 6.172 1.167 225 HA ALA 32 HA ALA 32 4.999 3.838 1.903 226 1HB ALA 32 1HB ALA 32 3.710 3.564 4.076 227 2HB ALA 32 2HB ALA 32 3.013 5.209 3.819 228 3HB ALA 32 3HB ALA 32 4.779 5.010 4.091 229 H CYS 33 H CYS 33 4.048 2.059 1.082 230 HA CYS 33 HA CYS 33 1.157 2.189 0.593 231 1HB CYS 33 2HB CYS 33 2.682 1.829 -1.421 232 2HB CYS 33 1HB CYS 33 3.076 0.232 -0.733 233 H ASN 34 H ASN 34 -0.061 1.024 1.962 234 HA ASN 34 HA ASN 34 1.329 -0.850 3.727 235 1HB ASN 34 2HB ASN 34 0.002 1.090 4.635 236 2HB ASN 34 1HB ASN 34 -1.475 0.398 3.897 237 1HD2 ASN 34 1HD2 ASN 34 -2.693 -0.538 5.562 238 2HD2 ASN 34 2HD2 ASN 34 -2.022 -1.499 6.844 239 H CYS 35 H CYS 35 0.902 -3.006 3.795 240 HA CYS 35 HA CYS 35 -1.155 -4.012 1.965 241 1HB CYS 35 2HB CYS 35 1.398 -4.162 1.340 242 2HB CYS 35 1HB CYS 35 1.451 -5.469 2.559 243 H VAL 36 H VAL 36 -1.845 -6.294 2.549 244 HA VAL 36 HA VAL 36 -2.372 -6.353 5.351 245 HB VAL 36 HB VAL 36 -3.156 -8.744 3.824 246 1HG1 VAL 36 1HG1 VAL 36 -3.975 -8.221 6.161 247 2HG1 VAL 36 2HG1 VAL 36 -5.302 -8.206 4.955 248 3HG1 VAL 36 3HG1 VAL 36 -4.633 -6.649 5.555 249 1HG2 VAL 36 1HG2 VAL 36 -4.191 -5.950 3.043 250 2HG2 VAL 36 2HG2 VAL 36 -5.025 -7.504 2.702 251 3HG2 VAL 36 3HG2 VAL 36 -3.420 -7.194 1.968 252 H VAL 37 H VAL 37 -2.251 -8.603 6.498 253 HA VAL 37 HA VAL 37 0.444 -9.435 6.514 254 HB VAL 37 HB VAL 37 -0.850 -9.295 8.514 255 1HG1 VAL 37 1HG1 VAL 37 -2.615 -10.974 9.037 256 2HG1 VAL 37 2HG1 VAL 37 -2.553 -11.605 7.363 257 3HG1 VAL 37 3HG1 VAL 37 -3.115 -9.918 7.670 258 1HG2 VAL 37 1HG2 VAL 37 -0.191 -11.446 9.504 259 2HG2 VAL 37 2HG2 VAL 37 1.089 -10.897 8.358 260 3HG2 VAL 37 3HG2 VAL 37 -0.060 -12.219 7.899 261 H GLY 38 H GLY 38 1.423 -11.211 5.672 262 1HA GLY 38 2HA GLY 38 1.561 -13.256 4.748 263 2HA GLY 38 1HA GLY 38 -0.219 -13.308 4.553 264 H TYR 39 H TYR 39 1.397 -10.519 3.361 265 HA TYR 39 HA TYR 39 1.616 -11.633 0.677 266 1HB TYR 39 2HB TYR 39 0.336 -8.923 1.410 267 2HB TYR 39 1HB TYR 39 0.725 -9.468 -0.265 268 HD1 TYR 39 1HD TYR 39 -1.650 -9.604 2.410 269 HD2 TYR 39 2HD TYR 39 -0.371 -11.543 -1.138 270 HE1 TYR 39 1HE TYR 39 -3.807 -10.749 2.275 271 HE2 TYR 39 2HE TYR 39 -2.534 -12.689 -1.297 272 HH TYR 39 HH TYR 39 -5.043 -12.300 1.178 273 H ILE 40 H ILE 40 3.516 -11.066 -0.279 274 HA ILE 40 HA ILE 40 5.183 -9.117 1.135 275 HB ILE 40 HB ILE 40 7.099 -10.625 1.038 276 1HG1 ILE 40 2HG1 ILE 40 4.982 -12.716 0.250 277 2HG1 ILE 40 1HG1 ILE 40 6.386 -12.151 -0.727 278 1HG2 ILE 40 1HG2 ILE 40 5.663 -10.208 3.074 279 2HG2 ILE 40 2HG2 ILE 40 6.507 -11.794 3.067 280 3HG2 ILE 40 3HG2 ILE 40 4.748 -11.718 2.681 281 1HD1 ILE 40 1HD1 ILE 40 6.516 -13.761 1.906 282 2HD1 ILE 40 2HD1 ILE 40 7.943 -13.072 1.042 283 3HD1 ILE 40 3HD1 ILE 40 6.927 -14.323 0.248 284 H GLY 41 H GLY 41 7.250 -8.718 -0.025 285 1HA GLY 41 2HA GLY 41 8.401 -8.508 -2.009 286 2HA GLY 41 1HA GLY 41 6.874 -8.701 -2.940 287 H GLU 42 H GLU 42 8.571 -6.606 -3.574 288 HA GLU 42 HA GLU 42 8.161 -4.345 -1.959 289 1HB GLU 42 2HB GLU 42 9.215 -4.712 -4.800 290 2HB GLU 42 1HB GLU 42 9.105 -3.111 -4.005 291 1HG GLU 42 2HG GLU 42 10.542 -3.924 -2.113 292 2HG GLU 42 1HG GLU 42 10.748 -5.499 -2.968 293 H ARG 43 H ARG 43 6.583 -5.458 -4.909 294 HA ARG 43 HA ARG 43 4.806 -3.165 -4.940 295 1HB ARG 43 2HB ARG 43 4.104 -5.272 -6.824 296 2HB ARG 43 1HB ARG 43 4.575 -3.595 -7.125 297 1HG ARG 43 2HG ARG 43 6.578 -5.876 -6.603 298 2HG ARG 43 1HG ARG 43 5.909 -5.554 -8.180 299 1HD ARG 43 2HD ARG 43 7.361 -3.274 -6.712 300 2HD ARG 43 1HD ARG 43 8.233 -4.527 -7.691 301 HE ARG 43 HE ARG 43 6.039 -3.550 -9.261 302 1HH1 ARG 43 1HH1 ARG 43 9.118 -2.234 -7.958 303 2HH1 ARG 43 2HH1 ARG 43 9.324 -1.233 -9.346 304 1HH2 ARG 43 1HH2 ARG 43 6.711 -2.486 -11.235 305 2HH2 ARG 43 2HH2 ARG 43 8.151 -1.570 -11.245 306 H CYS 44 H CYS 44 4.977 -5.702 -3.018 307 HA CYS 44 HA CYS 44 3.838 -7.137 -2.029 308 1HB CYS 44 2HB CYS 44 2.679 -4.897 -1.382 309 2HB CYS 44 1HB CYS 44 1.270 -5.563 -2.252 310 H GLN 45 H GLN 45 4.244 -8.043 -4.464 311 HA GLN 45 HA GLN 45 1.858 -8.881 -5.707 312 1HB GLN 45 2HB GLN 45 4.627 -10.115 -6.106 313 2HB GLN 45 1HB GLN 45 3.266 -10.022 -7.245 314 1HG GLN 45 2HG GLN 45 3.605 -7.435 -7.212 315 2HG GLN 45 1HG GLN 45 5.094 -7.721 -6.227 316 1HE2 GLN 45 1HE2 GLN 45 3.492 -9.088 -9.139 317 2HE2 GLN 45 2HE2 GLN 45 4.920 -9.036 -10.162 318 H TYR 46 H TYR 46 3.972 -10.514 -3.336 319 HA TYR 46 HA TYR 46 3.108 -13.094 -4.363 320 1HB TYR 46 2HB TYR 46 5.259 -12.200 -2.373 321 2HB TYR 46 1HB TYR 46 4.983 -13.916 -2.832 322 HD1 TYR 46 1HD TYR 46 6.050 -14.784 -4.655 323 HD2 TYR 46 2HD TYR 46 5.962 -10.563 -4.183 324 HE1 TYR 46 1HE TYR 46 7.809 -14.566 -6.319 325 HE2 TYR 46 2HE TYR 46 7.705 -10.329 -5.863 326 HH TYR 46 HH TYR 46 9.308 -13.159 -7.265 327 H ARG 47 H ARG 47 2.382 -14.779 -2.943 328 HA ARG 47 HA ARG 47 1.122 -13.841 -0.473 329 1HB ARG 47 2HB ARG 47 -0.171 -15.074 -2.263 330 2HB ARG 47 1HB ARG 47 0.865 -16.495 -1.976 331 1HG ARG 47 2HG ARG 47 -0.005 -16.562 0.422 332 2HG ARG 47 1HG ARG 47 -1.021 -15.134 0.039 333 1HD ARG 47 2HD ARG 47 -2.217 -16.492 -1.735 334 2HD ARG 47 1HD ARG 47 -1.202 -17.923 -1.282 335 HE ARG 47 HE ARG 47 -2.724 -16.560 0.933 336 1HH1 ARG 47 1HH1 ARG 47 -2.679 -19.433 -1.311 337 2HH1 ARG 47 2HH1 ARG 47 -3.946 -20.163 -0.410 338 1HH2 ARG 47 1HH2 ARG 47 -4.608 -17.506 1.748 339 2HH2 ARG 47 2HH2 ARG 47 -5.150 -19.008 1.138 340 H ASP 48 H ASP 48 1.682 -14.762 1.543 341 HA ASP 48 HA ASP 48 4.201 -16.120 1.658 342 1HB ASP 48 2HB ASP 48 3.300 -14.293 3.245 343 2HB ASP 48 1HB ASP 48 2.286 -15.577 3.982 344 H LEU 49 H LEU 49 3.923 -18.102 0.644 345 HA LEU 49 HA LEU 49 1.711 -19.770 1.303 346 1HB LEU 49 2HB LEU 49 2.782 -19.700 -0.959 347 2HB LEU 49 1HB LEU 49 4.299 -20.317 -0.242 348 HG LEU 49 HG LEU 49 3.149 -22.454 0.363 349 1HD1 LEU 49 1HD1 LEU 49 0.908 -22.978 -0.621 350 2HD1 LEU 49 2HD1 LEU 49 0.723 -21.263 -1.134 351 3HD1 LEU 49 3HD1 LEU 49 0.792 -21.685 0.624 352 1HD2 LEU 49 1HD2 LEU 49 2.862 -21.664 -2.601 353 2HD2 LEU 49 2HD2 LEU 49 2.969 -23.337 -1.942 354 3HD2 LEU 49 3HD2 LEU 49 4.377 -22.228 -1.795 355 H LYS 50 H LYS 50 4.911 -19.299 2.553 356 HA LYS 50 HA LYS 50 5.236 -21.802 3.816 357 1HB LYS 50 2HB LYS 50 6.429 -19.022 4.167 358 2HB LYS 50 1HB LYS 50 6.787 -20.318 5.330 359 1HG LYS 50 2HG LYS 50 8.602 -20.339 3.887 360 2HG LYS 50 1HG LYS 50 7.626 -21.777 3.507 361 1HD LYS 50 2HD LYS 50 8.408 -20.968 1.459 362 2HD LYS 50 1HD LYS 50 6.685 -20.495 1.486 363 1HE LYS 50 2HE LYS 50 7.372 -18.125 2.066 364 2HE LYS 50 1HE LYS 50 9.101 -18.652 2.112 365 1HZ LYS 50 1HZ LYS 50 8.877 -19.297 -0.258 366 2HZ LYS 50 2HZ LYS 50 8.529 -17.661 -0.014 367 3HZ LYS 50 3HZ LYS 50 7.288 -18.757 -0.246 368 H TRP 51 H TRP 51 3.500 -18.869 4.659 369 HA TRP 51 HA TRP 51 2.840 -19.734 7.285 370 1HB TRP 51 2HB TRP 51 3.039 -17.392 6.742 371 2HB TRP 51 1HB TRP 51 1.848 -17.530 5.399 372 HD1 TRP 51 HD TRP 51 1.649 -18.461 9.207 373 HE1 TRP 51 1HE TRP 51 -0.409 -17.273 10.192 374 HE3 TRP 51 3HE TRP 51 0.184 -15.902 5.095 375 HZ2 TRP 51 2HZ TRP 51 -2.564 -15.699 9.219 376 HZ3 TRP 51 3HZ TRP 51 -1.828 -14.486 5.226 377 HH2 TRP 51 HH TRP 51 -3.163 -14.384 7.242 378 H TRP 52 H TRP 52 1.188 -19.893 4.134 379 HA TRP 52 HA TRP 52 -1.166 -20.941 5.406 380 1HB TRP 52 2HB TRP 52 -0.413 -20.385 2.518 381 2HB TRP 52 1HB TRP 52 -1.917 -21.273 2.946 382 HD1 TRP 52 HD TRP 52 -0.654 -17.671 2.869 383 HE1 TRP 52 1HE TRP 52 -2.374 -16.177 4.112 384 HE3 TRP 52 3HE TRP 52 -3.736 -21.260 4.708 385 HZ2 TRP 52 2HZ TRP 52 -4.851 -16.468 5.353 386 HZ3 TRP 52 3HZ TRP 52 -5.745 -20.590 5.923 387 HH2 TRP 52 HH TRP 52 -6.297 -18.240 6.251 388 H GLU 53 H GLU 53 1.588 -22.479 3.803 389 HA GLU 53 HA GLU 53 0.217 -25.019 4.002 390 1HB GLU 53 2HB GLU 53 1.625 -24.375 2.020 391 2HB GLU 53 1HB GLU 53 3.051 -24.484 3.073 392 1HG GLU 53 2HG GLU 53 2.833 -26.542 1.799 393 2HG GLU 53 1HG GLU 53 2.486 -26.939 3.513 394 H LEU 54 H LEU 54 -0.013 -24.389 6.317 395 HA LEU 54 HA LEU 54 1.951 -25.918 7.856 396 1HB LEU 54 2HB LEU 54 0.286 -23.472 8.681 397 2HB LEU 54 1HB LEU 54 1.179 -24.506 9.838 398 HG LEU 54 HG LEU 54 2.466 -22.841 7.610 399 1HD1 LEU 54 1HD1 LEU 54 3.238 -21.384 9.487 400 2HD1 LEU 54 2HD1 LEU 54 2.293 -22.394 10.659 401 3HD1 LEU 54 3HD1 LEU 54 1.435 -21.440 9.400 402 1HD2 LEU 54 1HD2 LEU 54 3.846 -24.851 8.178 403 2HD2 LEU 54 2HD2 LEU 54 3.725 -24.453 9.933 404 3HD2 LEU 54 3HD2 LEU 54 4.613 -23.355 8.810 Start of MODEL 14 1 1H VAL 1 1HT VAL 1 6.329 19.258 7.485 2 2H VAL 1 2HT VAL 1 4.767 19.495 6.916 3 3H VAL 1 3HT VAL 1 5.740 18.297 6.258 4 HA VAL 1 HA VAL 1 5.487 16.894 8.008 5 HB VAL 1 HB VAL 1 6.494 18.410 9.545 6 1HG1 VAL 1 1HG1 VAL 1 5.051 20.450 9.215 7 2HG1 VAL 1 2HG1 VAL 1 5.213 19.963 10.933 8 3HG1 VAL 1 3HG1 VAL 1 3.693 19.604 10.059 9 1HG2 VAL 1 1HG2 VAL 1 5.428 17.546 11.593 10 2HG2 VAL 1 2HG2 VAL 1 5.568 16.262 10.346 11 3HG2 VAL 1 3HG2 VAL 1 3.972 17.041 10.675 12 H VAL 2 H VAL 2 3.781 15.581 7.675 13 HA VAL 2 HA VAL 2 1.122 16.577 8.053 14 HB VAL 2 HB VAL 2 1.925 15.203 5.454 15 1HG1 VAL 2 1HG1 VAL 2 -0.519 15.620 4.900 16 2HG1 VAL 2 2HG1 VAL 2 -0.794 16.163 6.589 17 3HG1 VAL 2 3HG1 VAL 2 -0.322 14.450 6.241 18 1HG2 VAL 2 1HG2 VAL 2 2.543 17.595 5.326 19 2HG2 VAL 2 2HG2 VAL 2 0.954 18.070 6.044 20 3HG2 VAL 2 3HG2 VAL 2 1.010 17.327 4.411 21 H SER 3 H SER 3 0.545 15.165 9.636 22 HA SER 3 HA SER 3 1.480 12.413 9.400 23 1HB SER 3 2HB SER 3 1.660 13.970 11.501 24 2HB SER 3 1HB SER 3 -0.031 13.502 11.812 25 HG SER 3 HG SER 3 0.700 11.323 11.811 26 H HIS 4 H HIS 4 -0.229 12.570 7.452 27 HA HIS 4 HA HIS 4 -2.690 11.348 8.485 28 1HB HIS 4 2HB HIS 4 -2.505 13.334 6.174 29 2HB HIS 4 1HB HIS 4 -3.982 12.425 6.633 30 HD1 HIS 4 1HD HIS 4 -3.882 15.464 6.577 31 HD2 HIS 4 2HD HIS 4 -3.381 13.189 10.062 32 HE1 HIS 4 1HE HIS 4 -4.586 16.925 8.524 33 HE2 HIS 4 2HE HIS 4 -4.342 15.517 10.578 34 H PHE 5 H PHE 5 -3.760 9.890 7.079 35 HA PHE 5 HA PHE 5 -2.015 8.624 5.108 36 1HB PHE 5 2HB PHE 5 -4.568 7.714 6.571 37 2HB PHE 5 1HB PHE 5 -3.873 6.816 5.187 38 HD1 PHE 5 1HD PHE 5 -2.097 5.365 5.463 39 HD2 PHE 5 2HD PHE 5 -3.212 7.929 8.650 40 HE1 PHE 5 1HE PHE 5 -0.567 4.169 6.946 41 HE2 PHE 5 2HE PHE 5 -1.688 6.735 10.151 42 HZ PHE 5 HZ PHE 5 -0.337 4.865 9.295 43 H ASN 6 H ASN 6 -2.530 8.729 2.948 44 HA ASN 6 HA ASN 6 -5.054 10.079 2.257 45 1HB ASN 6 2HB ASN 6 -2.422 9.715 0.731 46 2HB ASN 6 1HB ASN 6 -3.945 10.305 -0.035 47 1HD2 ASN 6 1HD2 ASN 6 -2.332 12.129 -0.492 48 2HD2 ASN 6 2HD2 ASN 6 -2.390 13.433 0.652 49 H ASP 7 H ASP 7 -6.397 9.201 0.601 50 HA ASP 7 HA ASP 7 -6.312 6.317 0.639 51 1HB ASP 7 2HB ASP 7 -8.425 8.357 -0.159 52 2HB ASP 7 1HB ASP 7 -8.628 6.588 -0.412 53 H CYS 8 H CYS 8 -5.731 5.027 -0.882 54 HA CYS 8 HA CYS 8 -4.651 6.027 -3.231 55 1HB CYS 8 2HB CYS 8 -3.837 4.111 -1.868 56 2HB CYS 8 1HB CYS 8 -5.145 3.105 -2.541 57 HA PRO 9 HA PRO 9 -8.153 4.402 -5.757 58 1HB PRO 9 2HB PRO 9 -10.431 4.837 -3.759 59 2HB PRO 9 1HB PRO 9 -10.380 3.700 -5.166 60 1HG PRO 9 2HG PRO 9 -9.930 2.747 -2.644 61 2HG PRO 9 1HG PRO 9 -8.803 2.243 -3.979 62 1HD PRO 9 2HD PRO 9 -8.374 4.490 -1.912 63 2HD PRO 9 1HD PRO 9 -7.220 3.184 -2.445 64 H LEU 10 H LEU 10 -8.578 6.950 -3.372 65 HA LEU 10 HA LEU 10 -9.959 8.712 -5.095 66 1HB LEU 10 2HB LEU 10 -10.070 8.760 -2.593 67 2HB LEU 10 1HB LEU 10 -8.354 9.250 -2.536 68 HG LEU 10 HG LEU 10 -8.961 11.366 -3.788 69 1HD1 LEU 10 1HD1 LEU 10 -11.387 12.033 -3.881 70 2HD1 LEU 10 2HD1 LEU 10 -11.858 10.371 -3.389 71 3HD1 LEU 10 3HD1 LEU 10 -11.036 10.646 -4.971 72 1HD2 LEU 10 1HD2 LEU 10 -10.056 12.468 -1.846 73 2HD2 LEU 10 2HD2 LEU 10 -8.781 11.312 -1.302 74 3HD2 LEU 10 3HD2 LEU 10 -10.523 10.861 -1.180 75 H SER 11 H SER 11 -6.570 8.425 -4.082 76 HA SER 11 HA SER 11 -5.700 10.517 -5.807 77 1HB SER 11 2HB SER 11 -4.593 9.758 -3.628 78 2HB SER 11 1HB SER 11 -3.950 8.368 -4.544 79 HG SER 11 HG SER 11 -3.411 11.130 -4.768 80 H HIS 12 H HIS 12 -3.854 10.063 -7.387 81 HA HIS 12 HA HIS 12 -4.881 8.153 -9.307 82 1HB HIS 12 2HB HIS 12 -4.187 10.576 -9.834 83 2HB HIS 12 1HB HIS 12 -2.498 10.041 -9.654 84 HD1 HIS 12 1HD HIS 12 -1.709 9.929 -12.009 85 HD2 HIS 12 2HD HIS 12 -5.619 8.459 -11.725 86 HE1 HIS 12 1HE HIS 12 -2.383 9.155 -14.332 87 HE2 HIS 12 2HE HIS 12 -4.757 8.334 -14.120 88 H ASP 13 H ASP 13 -4.159 6.079 -9.415 89 HA ASP 13 HA ASP 13 -1.890 5.325 -7.939 90 1HB ASP 13 2HB ASP 13 -2.558 3.000 -8.703 91 2HB ASP 13 1HB ASP 13 -3.825 3.927 -7.840 92 H GLY 14 H GLY 14 -0.277 3.830 -8.651 93 1HA GLY 14 2HA GLY 14 0.349 3.602 -11.403 94 2HA GLY 14 1HA GLY 14 1.432 4.753 -10.533 95 H TYR 15 H TYR 15 2.145 3.824 -8.314 96 HA TYR 15 HA TYR 15 3.700 1.600 -9.019 97 1HB TYR 15 2HB TYR 15 4.485 3.605 -7.742 98 2HB TYR 15 1HB TYR 15 3.473 3.094 -6.356 99 HD1 TYR 15 1HD TYR 15 5.765 1.152 -8.661 100 HD2 TYR 15 2HD TYR 15 4.969 2.565 -4.737 101 HE1 TYR 15 1HE TYR 15 7.620 -0.181 -7.812 102 HE2 TYR 15 2HE TYR 15 6.846 1.246 -3.878 103 HH TYR 15 HH TYR 15 8.789 0.169 -4.562 104 H CYS 16 H CYS 16 1.001 1.878 -6.620 105 HA CYS 16 HA CYS 16 1.725 -0.778 -5.682 106 1HB CYS 16 2HB CYS 16 -0.540 1.066 -4.812 107 2HB CYS 16 1HB CYS 16 -0.032 -0.448 -4.001 108 H LEU 17 H LEU 17 1.155 -2.359 -7.096 109 HA LEU 17 HA LEU 17 -1.406 -2.217 -8.384 110 1HB LEU 17 2HB LEU 17 -0.732 -3.851 -9.853 111 2HB LEU 17 1HB LEU 17 0.633 -2.735 -9.649 112 HG LEU 17 HG LEU 17 0.392 -5.501 -8.307 113 1HD1 LEU 17 1HD1 LEU 17 2.030 -6.198 -10.081 114 2HD1 LEU 17 2HD1 LEU 17 1.913 -4.555 -10.816 115 3HD1 LEU 17 3HD1 LEU 17 0.462 -5.629 -10.771 116 1HD2 LEU 17 1HD2 LEU 17 1.941 -4.075 -7.002 117 2HD2 LEU 17 2HD2 LEU 17 2.782 -3.547 -8.517 118 3HD2 LEU 17 3HD2 LEU 17 2.882 -5.259 -7.960 119 H HIS 18 H HIS 18 -2.677 -4.164 -8.694 120 HA HIS 18 HA HIS 18 -4.225 -5.404 -7.938 121 1HB HIS 18 2HB HIS 18 -2.163 -6.932 -7.693 122 2HB HIS 18 1HB HIS 18 -2.348 -6.708 -5.935 123 HD1 HIS 18 1HD HIS 18 -3.810 -8.326 -8.930 124 HD2 HIS 18 2HD HIS 18 -4.842 -7.921 -4.892 125 HE1 HIS 18 1HE HIS 18 -5.744 -9.896 -8.516 126 HE2 HIS 18 2HE HIS 18 -6.323 -9.655 -6.062 127 H ASP 19 H ASP 19 -3.824 -2.882 -6.526 128 HA ASP 19 HA ASP 19 -4.778 -1.687 -5.086 129 1HB ASP 19 2HB ASP 19 -6.842 -3.119 -5.494 130 2HB ASP 19 1HB ASP 19 -6.468 -3.945 -3.942 131 H GLY 20 H GLY 20 -2.724 -1.382 -4.203 132 1HA GLY 20 2HA GLY 20 -2.533 -2.402 -1.438 133 2HA GLY 20 1HA GLY 20 -1.215 -1.699 -2.436 134 H VAL 21 H VAL 21 -1.321 -0.547 -0.065 135 HA VAL 21 HA VAL 21 -3.033 1.787 -0.265 136 HB VAL 21 HB VAL 21 -1.198 0.715 1.868 137 1HG1 VAL 21 1HG1 VAL 21 -0.983 3.205 1.950 138 2HG1 VAL 21 2HG1 VAL 21 -2.052 2.634 3.271 139 3HG1 VAL 21 3HG1 VAL 21 -2.774 3.384 1.805 140 1HG2 VAL 21 1HG2 VAL 21 -3.477 -0.364 1.585 141 2HG2 VAL 21 2HG2 VAL 21 -4.236 1.259 1.735 142 3HG2 VAL 21 3HG2 VAL 21 -3.340 0.554 3.128 143 H CYS 22 H CYS 22 -2.250 3.078 -1.900 144 HA CYS 22 HA CYS 22 0.565 3.802 -1.778 145 1HB CYS 22 2HB CYS 22 0.311 4.989 -3.789 146 2HB CYS 22 1HB CYS 22 -0.388 3.369 -3.997 147 H MET 23 H MET 23 1.332 5.720 -1.075 148 HA MET 23 HA MET 23 -0.616 7.850 -0.558 149 1HB MET 23 2HB MET 23 1.599 6.992 1.370 150 2HB MET 23 1HB MET 23 0.580 8.455 1.543 151 1HG MET 23 2HG MET 23 -1.457 6.949 1.657 152 2HG MET 23 1HG MET 23 -0.369 5.533 1.662 153 1HE MET 23 1HE MET 23 1.511 5.601 4.989 154 2HE MET 23 2HE MET 23 2.130 6.257 3.445 155 3HE MET 23 3HE MET 23 1.136 4.758 3.446 156 H TYR 24 H TYR 24 -0.041 9.587 -1.702 157 HA TYR 24 HA TYR 24 2.748 10.420 -1.432 158 1HB TYR 24 2HB TYR 24 2.421 9.937 -3.845 159 2HB TYR 24 1HB TYR 24 0.884 10.882 -3.845 160 HD1 TYR 24 1HD TYR 24 1.004 12.905 -4.732 161 HD2 TYR 24 2HD TYR 24 4.506 11.334 -2.905 162 HE1 TYR 24 1HE TYR 24 2.257 14.803 -5.542 163 HE2 TYR 24 2HE TYR 24 5.788 13.236 -3.711 164 HH TYR 24 HH TYR 24 5.679 15.349 -4.755 165 H ILE 25 H ILE 25 2.875 12.258 -0.264 166 HA ILE 25 HA ILE 25 0.573 14.060 -0.268 167 HB ILE 25 HB ILE 25 1.844 14.877 1.902 168 1HG1 ILE 25 2HG1 ILE 25 3.470 12.859 1.779 169 2HG1 ILE 25 1HG1 ILE 25 2.697 13.328 3.316 170 1HG2 ILE 25 1HG2 ILE 25 0.050 13.780 3.199 171 2HG2 ILE 25 2HG2 ILE 25 -0.311 12.707 1.799 172 3HG2 ILE 25 3HG2 ILE 25 -0.558 14.488 1.658 173 1HD1 ILE 25 1HD1 ILE 25 1.117 11.472 3.245 174 2HD1 ILE 25 2HD1 ILE 25 2.782 10.854 3.044 175 3HD1 ILE 25 3HD1 ILE 25 1.692 10.963 1.618 176 H GLU 26 H GLU 26 1.076 15.747 -1.504 177 HA GLU 26 HA GLU 26 3.659 16.129 -2.485 178 1HB GLU 26 2HB GLU 26 2.556 18.312 -3.397 179 2HB GLU 26 1HB GLU 26 2.062 16.720 -3.998 180 1HG GLU 26 2HG GLU 26 0.122 18.226 -3.643 181 2HG GLU 26 1HG GLU 26 0.003 16.709 -2.707 182 H ALA 27 H ALA 27 2.010 17.583 0.234 183 HA ALA 27 HA ALA 27 3.731 19.622 0.827 184 1HB ALA 27 1HB ALA 27 3.033 19.219 3.210 185 2HB ALA 27 2HB ALA 27 2.426 17.591 2.736 186 3HB ALA 27 3HB ALA 27 1.635 19.072 2.081 187 H LEU 28 H LEU 28 4.212 16.169 1.517 188 HA LEU 28 HA LEU 28 6.739 16.745 2.830 189 1HB LEU 28 2HB LEU 28 5.396 14.060 2.199 190 2HB LEU 28 1HB LEU 28 6.865 14.312 3.197 191 HG LEU 28 HG LEU 28 3.999 15.141 3.861 192 1HD1 LEU 28 1HD1 LEU 28 6.046 13.338 5.304 193 2HD1 LEU 28 2HD1 LEU 28 4.679 12.740 4.286 194 3HD1 LEU 28 3HD1 LEU 28 4.344 13.647 5.805 195 1HD2 LEU 28 1HD2 LEU 28 5.281 17.022 4.638 196 2HD2 LEU 28 2HD2 LEU 28 6.639 15.960 5.213 197 3HD2 LEU 28 3HD2 LEU 28 5.054 15.926 6.065 198 H ASP 29 H ASP 29 5.445 15.275 -0.088 199 HA ASP 29 HA ASP 29 6.161 14.862 -2.025 200 1HB ASP 29 2HB ASP 29 7.221 17.093 -1.809 201 2HB ASP 29 1HB ASP 29 8.771 16.286 -1.391 202 H LYS 30 H LYS 30 6.499 12.921 0.125 203 HA LYS 30 HA LYS 30 8.450 11.221 -1.255 204 1HB LYS 30 2HB LYS 30 9.027 10.171 0.776 205 2HB LYS 30 1HB LYS 30 9.202 11.937 0.930 206 1HG LYS 30 2HG LYS 30 8.334 11.379 2.980 207 2HG LYS 30 1HG LYS 30 6.871 11.917 2.098 208 1HD LYS 30 2HD LYS 30 6.419 9.499 1.550 209 2HD LYS 30 1HD LYS 30 7.820 9.004 2.541 210 1HE LYS 30 2HE LYS 30 6.725 9.754 4.623 211 2HE LYS 30 1HE LYS 30 5.441 10.617 3.686 212 1HZ LYS 30 1HZ LYS 30 5.843 7.664 3.815 213 2HZ LYS 30 2HZ LYS 30 4.744 8.484 2.795 214 3HZ LYS 30 3HZ LYS 30 4.584 8.559 4.467 215 H TYR 31 H TYR 31 8.012 9.088 -1.561 216 HA TYR 31 HA TYR 31 5.140 8.594 -1.905 217 1HB TYR 31 2HB TYR 31 7.667 7.964 -3.481 218 2HB TYR 31 1HB TYR 31 6.379 6.723 -3.512 219 HD1 TYR 31 1HD TYR 31 7.215 10.156 -4.462 220 HD2 TYR 31 2HD TYR 31 4.242 7.141 -4.373 221 HE1 TYR 31 1HE TYR 31 5.949 11.371 -6.176 222 HE2 TYR 31 2HE TYR 31 2.951 8.353 -6.099 223 HH TYR 31 HH TYR 31 4.055 11.485 -7.348 224 H ALA 32 H ALA 32 4.153 6.879 -1.006 225 HA ALA 32 HA ALA 32 5.893 4.760 0.007 226 1HB ALA 32 1HB ALA 32 3.508 6.040 1.477 227 2HB ALA 32 2HB ALA 32 5.241 6.206 1.936 228 3HB ALA 32 3HB ALA 32 4.428 4.601 2.050 229 H CYS 33 H CYS 33 5.323 2.778 -0.377 230 HA CYS 33 HA CYS 33 2.525 2.212 -1.045 231 1HB CYS 33 2HB CYS 33 4.377 1.722 -2.820 232 2HB CYS 33 1HB CYS 33 4.918 0.418 -1.743 233 H ASN 34 H ASN 34 1.491 1.116 0.523 234 HA ASN 34 HA ASN 34 3.131 -0.283 2.537 235 1HB ASN 34 2HB ASN 34 0.706 1.544 2.692 236 2HB ASN 34 1HB ASN 34 0.896 0.254 3.932 237 1HD2 ASN 34 1HD2 ASN 34 1.775 1.046 5.750 238 2HD2 ASN 34 2HD2 ASN 34 3.059 2.232 5.820 239 H CYS 35 H CYS 35 2.706 -2.280 3.087 240 HA CYS 35 HA CYS 35 0.726 -3.676 1.474 241 1HB CYS 35 2HB CYS 35 3.001 -4.819 3.164 242 2HB CYS 35 1HB CYS 35 2.002 -5.706 1.991 243 H VAL 36 H VAL 36 -0.397 -5.481 2.325 244 HA VAL 36 HA VAL 36 -1.476 -5.174 4.933 245 HB VAL 36 HB VAL 36 -1.790 -7.379 2.874 246 1HG1 VAL 36 1HG1 VAL 36 -3.572 -6.499 5.243 247 2HG1 VAL 36 2HG1 VAL 36 -2.798 -8.122 4.981 248 3HG1 VAL 36 3HG1 VAL 36 -4.107 -7.568 3.903 249 1HG2 VAL 36 1HG2 VAL 36 -3.850 -6.096 2.174 250 2HG2 VAL 36 2HG2 VAL 36 -2.348 -5.214 1.783 251 3HG2 VAL 36 3HG2 VAL 36 -3.334 -4.729 3.212 252 H VAL 37 H VAL 37 -1.527 -7.105 6.430 253 HA VAL 37 HA VAL 37 1.077 -8.207 6.771 254 HB VAL 37 HB VAL 37 -0.128 -7.461 8.667 255 1HG1 VAL 37 1HG1 VAL 37 -2.195 -9.672 8.045 256 2HG1 VAL 37 2HG1 VAL 37 -2.482 -7.893 7.935 257 3HG1 VAL 37 3HG1 VAL 37 -2.122 -8.656 9.519 258 1HG2 VAL 37 1HG2 VAL 37 0.236 -9.422 10.100 259 2HG2 VAL 37 2HG2 VAL 37 1.540 -9.336 8.863 260 3HG2 VAL 37 3HG2 VAL 37 0.199 -10.533 8.689 261 H GLY 38 H GLY 38 1.814 -10.172 6.237 262 1HA GLY 38 2HA GLY 38 1.788 -12.227 5.358 263 2HA GLY 38 1HA GLY 38 0.011 -12.159 5.140 264 H TYR 39 H TYR 39 1.929 -9.521 3.918 265 HA TYR 39 HA TYR 39 2.095 -10.717 1.282 266 1HB TYR 39 2HB TYR 39 0.723 -8.068 2.019 267 2HB TYR 39 1HB TYR 39 1.434 -8.322 0.386 268 HD1 TYR 39 1HD TYR 39 -1.178 -9.499 2.724 269 HD2 TYR 39 2HD TYR 39 0.476 -9.772 -1.176 270 HE1 TYR 39 1HE TYR 39 -3.202 -10.643 1.950 271 HE2 TYR 39 2HE TYR 39 -1.532 -10.909 -1.960 272 HH TYR 39 HH TYR 39 -3.430 -11.912 -1.347 273 H ILE 40 H ILE 40 4.047 -10.297 0.363 274 HA ILE 40 HA ILE 40 5.673 -8.158 1.523 275 HB ILE 40 HB ILE 40 7.667 -9.586 1.354 276 1HG1 ILE 40 2HG1 ILE 40 5.612 -11.819 0.880 277 2HG1 ILE 40 1HG1 ILE 40 6.816 -11.213 -0.299 278 1HG2 ILE 40 1HG2 ILE 40 5.477 -10.581 3.259 279 2HG2 ILE 40 2HG2 ILE 40 6.466 -9.089 3.473 280 3HG2 ILE 40 3HG2 ILE 40 7.260 -10.702 3.481 281 1HD1 ILE 40 1HD1 ILE 40 8.677 -11.921 1.271 282 2HD1 ILE 40 2HD1 ILE 40 7.654 -13.287 0.687 283 3HD1 ILE 40 3HD1 ILE 40 7.432 -12.654 2.356 284 H GLY 41 H GLY 41 7.710 -7.872 0.281 285 1HA GLY 41 2HA GLY 41 8.717 -7.413 -1.728 286 2HA GLY 41 1HA GLY 41 7.161 -7.686 -2.596 287 H GLU 42 H GLU 42 8.917 -5.224 -2.636 288 HA GLU 42 HA GLU 42 7.830 -3.278 -0.967 289 1HB GLU 42 2HB GLU 42 9.061 -3.033 -3.758 290 2HB GLU 42 1HB GLU 42 8.740 -1.653 -2.674 291 1HG GLU 42 2HG GLU 42 10.719 -3.965 -2.220 292 2HG GLU 42 1HG GLU 42 11.101 -2.244 -2.568 293 H ARG 43 H ARG 43 6.919 -4.366 -4.160 294 HA ARG 43 HA ARG 43 4.740 -2.539 -4.437 295 1HB ARG 43 2HB ARG 43 4.522 -3.661 -6.626 296 2HB ARG 43 1HB ARG 43 6.200 -3.176 -6.279 297 1HG ARG 43 2HG ARG 43 6.649 -5.632 -5.513 298 2HG ARG 43 1HG ARG 43 5.012 -5.988 -6.130 299 1HD ARG 43 2HD ARG 43 6.430 -6.597 -7.910 300 2HD ARG 43 1HD ARG 43 5.839 -4.958 -8.402 301 HE ARG 43 HE ARG 43 8.190 -4.361 -7.041 302 1HH1 ARG 43 1HH1 ARG 43 7.347 -6.154 -9.971 303 2HH1 ARG 43 2HH1 ARG 43 8.965 -6.178 -10.572 304 1HH2 ARG 43 1HH2 ARG 43 10.387 -4.793 -7.655 305 2HH2 ARG 43 2HH2 ARG 43 10.712 -5.242 -9.280 306 H CYS 44 H CYS 44 4.908 -5.074 -2.448 307 HA CYS 44 HA CYS 44 3.543 -6.396 -1.460 308 1HB CYS 44 2HB CYS 44 1.328 -4.502 -2.309 309 2HB CYS 44 1HB CYS 44 1.366 -5.537 -0.854 310 H GLN 45 H GLN 45 3.933 -7.959 -3.468 311 HA GLN 45 HA GLN 45 1.248 -8.666 -4.491 312 1HB GLN 45 2HB GLN 45 3.933 -8.648 -5.781 313 2HB GLN 45 1HB GLN 45 2.860 -10.017 -6.179 314 1HG GLN 45 2HG GLN 45 1.002 -8.465 -6.775 315 2HG GLN 45 1HG GLN 45 2.073 -7.058 -6.469 316 1HE2 GLN 45 1HE2 GLN 45 4.474 -7.780 -7.705 317 2HE2 GLN 45 2HE2 GLN 45 4.115 -7.707 -9.404 318 H TYR 46 H TYR 46 4.113 -10.066 -2.833 319 HA TYR 46 HA TYR 46 3.073 -12.678 -3.465 320 1HB TYR 46 2HB TYR 46 5.522 -11.773 -1.854 321 2HB TYR 46 1HB TYR 46 5.163 -13.480 -2.327 322 HD1 TYR 46 1HD TYR 46 4.980 -14.023 -4.753 323 HD2 TYR 46 2HD TYR 46 6.539 -10.315 -3.385 324 HE1 TYR 46 1HE TYR 46 6.136 -13.733 -6.884 325 HE2 TYR 46 2HE TYR 46 7.715 -10.012 -5.480 326 HH TYR 46 HH TYR 46 7.548 -12.505 -8.066 327 H ARG 47 H ARG 47 1.801 -13.907 -2.197 328 HA ARG 47 HA ARG 47 1.255 -12.890 0.482 329 1HB ARG 47 2HB ARG 47 -0.570 -13.387 -1.197 330 2HB ARG 47 1HB ARG 47 -0.132 -15.113 -1.099 331 1HG ARG 47 2HG ARG 47 -0.652 -15.017 1.418 332 2HG ARG 47 1HG ARG 47 -1.103 -13.302 1.191 333 1HD ARG 47 2HD ARG 47 -3.140 -14.570 1.272 334 2HD ARG 47 1HD ARG 47 -2.941 -14.080 -0.442 335 HE ARG 47 HE ARG 47 -2.505 -16.835 0.749 336 1HH1 ARG 47 1HH1 ARG 47 -2.889 -14.905 -2.254 337 2HH1 ARG 47 2HH1 ARG 47 -3.447 -16.270 -3.124 338 1HH2 ARG 47 1HH2 ARG 47 -3.016 -18.544 -0.433 339 2HH2 ARG 47 2HH2 ARG 47 -3.333 -18.456 -2.137 340 H ASP 48 H ASP 48 1.581 -14.084 2.340 341 HA ASP 48 HA ASP 48 3.347 -16.352 2.150 342 1HB ASP 48 2HB ASP 48 2.205 -14.672 4.411 343 2HB ASP 48 1HB ASP 48 2.826 -16.313 4.796 344 H LEU 49 H LEU 49 2.845 -18.367 1.887 345 HA LEU 49 HA LEU 49 0.168 -19.284 2.450 346 1HB LEU 49 2HB LEU 49 2.604 -20.481 1.074 347 2HB LEU 49 1HB LEU 49 1.205 -21.475 1.556 348 HG LEU 49 HG LEU 49 -0.323 -20.020 0.230 349 1HD1 LEU 49 1HD1 LEU 49 0.666 -18.710 -1.682 350 2HD1 LEU 49 2HD1 LEU 49 2.295 -18.856 -0.922 351 3HD1 LEU 49 3HD1 LEU 49 0.981 -17.937 -0.090 352 1HD2 LEU 49 1HD2 LEU 49 0.301 -21.103 -1.925 353 2HD2 LEU 49 2HD2 LEU 49 0.504 -22.238 -0.539 354 3HD2 LEU 49 3HD2 LEU 49 1.947 -21.452 -1.284 355 H LYS 50 H LYS 50 2.901 -18.867 4.329 356 HA LYS 50 HA LYS 50 3.574 -21.324 5.092 357 1HB LYS 50 2HB LYS 50 3.772 -18.742 6.711 358 2HB LYS 50 1HB LYS 50 4.506 -20.282 7.216 359 1HG LYS 50 2HG LYS 50 6.302 -19.528 6.298 360 2HG LYS 50 1HG LYS 50 5.661 -20.226 4.794 361 1HD LYS 50 2HD LYS 50 5.026 -18.015 3.983 362 2HD LYS 50 1HD LYS 50 5.105 -17.331 5.649 363 1HE LYS 50 2HE LYS 50 7.594 -17.714 5.694 364 2HE LYS 50 1HE LYS 50 7.540 -18.205 3.962 365 1HZ LYS 50 1HZ LYS 50 7.994 -15.750 4.742 366 2HZ LYS 50 2HZ LYS 50 6.307 -15.621 4.670 367 3HZ LYS 50 3HZ LYS 50 7.184 -16.076 3.314 368 H TRP 51 H TRP 51 1.347 -19.315 7.058 369 HA TRP 51 HA TRP 51 1.085 -21.429 8.959 370 1HB TRP 51 2HB TRP 51 -0.524 -19.922 10.070 371 2HB TRP 51 1HB TRP 51 1.064 -19.161 9.726 372 HD1 TRP 51 HD TRP 51 -2.661 -18.956 8.523 373 HE1 TRP 51 1HE TRP 51 -2.956 -16.667 7.404 374 HE3 TRP 51 3HE TRP 51 2.178 -17.417 8.581 375 HZ2 TRP 51 2HZ TRP 51 -1.372 -14.396 6.870 376 HZ3 TRP 51 3HZ TRP 51 2.718 -15.181 7.744 377 HH2 TRP 51 HH TRP 51 0.988 -13.688 6.934 378 H TRP 52 H TRP 52 -0.506 -20.650 6.095 379 HA TRP 52 HA TRP 52 -3.008 -21.925 6.683 380 1HB TRP 52 2HB TRP 52 -1.785 -21.320 3.941 381 2HB TRP 52 1HB TRP 52 -3.514 -21.640 4.301 382 HD1 TRP 52 HD TRP 52 -0.865 -18.839 4.411 383 HE1 TRP 52 1HE TRP 52 -2.086 -16.613 4.634 384 HE3 TRP 52 3HE TRP 52 -5.466 -20.620 5.594 385 HZ2 TRP 52 2HZ TRP 52 -4.721 -15.728 5.213 386 HZ3 TRP 52 3HZ TRP 52 -7.266 -19.027 6.051 387 HH2 TRP 52 HH TRP 52 -6.908 -16.628 5.859 388 H GLU 53 H GLU 53 0.027 -22.830 5.136 389 HA GLU 53 HA GLU 53 -0.896 -25.405 4.317 390 1HB GLU 53 2HB GLU 53 0.614 -23.865 3.043 391 2HB GLU 53 1HB GLU 53 1.850 -24.061 4.299 392 1HG GLU 53 2HG GLU 53 2.323 -25.383 2.259 393 2HG GLU 53 1HG GLU 53 2.141 -26.465 3.668 394 H LEU 54 H LEU 54 -1.438 -25.496 6.893 395 HA LEU 54 HA LEU 54 0.629 -27.230 8.027 396 1HB LEU 54 2HB LEU 54 -0.921 -25.011 9.451 397 2HB LEU 54 1HB LEU 54 0.068 -26.247 10.286 398 HG LEU 54 HG LEU 54 1.137 -24.152 8.321 399 1HD1 LEU 54 1HD1 LEU 54 2.081 -23.054 10.342 400 2HD1 LEU 54 2HD1 LEU 54 1.313 -24.312 11.400 401 3HD1 LEU 54 3HD1 LEU 54 0.291 -23.177 10.445 402 1HD2 LEU 54 1HD2 LEU 54 3.399 -24.840 9.169 403 2HD2 LEU 54 2HD2 LEU 54 2.585 -26.179 8.304 404 3HD2 LEU 54 3HD2 LEU 54 2.634 -26.183 10.110 Start of MODEL 15 1 1H VAL 1 1HT VAL 1 6.330 20.145 8.422 2 2H VAL 1 2HT VAL 1 5.619 19.547 7.067 3 3H VAL 1 3HT VAL 1 6.274 18.497 8.178 4 HA VAL 1 HA VAL 1 4.640 19.171 9.832 5 HB VAL 1 HB VAL 1 4.540 21.489 9.030 6 1HG1 VAL 1 1HG1 VAL 1 4.237 21.131 6.569 7 2HG1 VAL 1 2HG1 VAL 1 2.917 22.119 7.262 8 3HG1 VAL 1 3HG1 VAL 1 2.606 20.404 6.866 9 1HG2 VAL 1 1HG2 VAL 1 1.722 20.279 9.300 10 2HG2 VAL 1 2HG2 VAL 1 2.252 21.962 9.617 11 3HG2 VAL 1 3HG2 VAL 1 2.840 20.637 10.679 12 H VAL 2 H VAL 2 2.557 18.034 10.115 13 HA VAL 2 HA VAL 2 1.454 16.994 7.650 14 HB VAL 2 HB VAL 2 2.747 15.188 8.623 15 1HG1 VAL 2 1HG1 VAL 2 0.898 15.457 11.084 16 2HG1 VAL 2 2HG1 VAL 2 2.662 15.846 11.040 17 3HG1 VAL 2 3HG1 VAL 2 2.098 14.162 10.770 18 1HG2 VAL 2 1HG2 VAL 2 0.949 13.515 8.575 19 2HG2 VAL 2 2HG2 VAL 2 0.643 14.768 7.318 20 3HG2 VAL 2 3HG2 VAL 2 -0.302 14.771 8.858 21 H SER 3 H SER 3 -0.714 17.269 7.506 22 HA SER 3 HA SER 3 -2.068 18.216 9.942 23 1HB SER 3 2HB SER 3 -1.319 20.106 8.439 24 2HB SER 3 1HB SER 3 -2.420 19.471 7.177 25 HG SER 3 HG SER 3 -3.227 21.134 8.679 26 H HIS 4 H HIS 4 -2.565 16.961 6.604 27 HA HIS 4 HA HIS 4 -4.891 15.526 7.689 28 1HB HIS 4 2HB HIS 4 -6.009 15.710 5.492 29 2HB HIS 4 1HB HIS 4 -5.780 17.296 6.276 30 HD1 HIS 4 1HD HIS 4 -4.474 19.045 4.994 31 HD2 HIS 4 2HD HIS 4 -4.053 15.224 3.315 32 HE1 HIS 4 1HE HIS 4 -3.226 19.337 2.843 33 HE2 HIS 4 2HE HIS 4 -2.925 17.049 1.863 34 H PHE 5 H PHE 5 -5.153 13.421 7.095 35 HA PHE 5 HA PHE 5 -2.781 12.155 6.054 36 1HB PHE 5 2HB PHE 5 -3.947 11.566 8.266 37 2HB PHE 5 1HB PHE 5 -5.330 10.965 7.312 38 HD1 PHE 5 1HD PHE 5 -1.825 10.442 8.259 39 HD2 PHE 5 2HD PHE 5 -5.129 8.892 6.084 40 HE1 PHE 5 1HE PHE 5 -0.719 8.258 8.136 41 HE2 PHE 5 2HE PHE 5 -4.029 6.712 5.961 42 HZ PHE 5 HZ PHE 5 -1.822 6.388 6.991 43 H ASN 6 H ASN 6 -2.718 11.046 4.113 44 HA ASN 6 HA ASN 6 -5.090 11.396 2.415 45 1HB ASN 6 2HB ASN 6 -2.123 11.081 1.699 46 2HB ASN 6 1HB ASN 6 -3.467 11.204 0.503 47 1HD2 ASN 6 1HD2 ASN 6 -1.164 13.011 0.864 48 2HD2 ASN 6 2HD2 ASN 6 -1.858 14.580 1.154 49 H ASP 7 H ASP 7 -5.944 9.791 1.240 50 HA ASP 7 HA ASP 7 -4.745 7.136 1.435 51 1HB ASP 7 2HB ASP 7 -6.980 6.295 0.614 52 2HB ASP 7 1HB ASP 7 -6.957 7.007 2.248 53 H CYS 8 H CYS 8 -5.486 5.898 -0.755 54 HA CYS 8 HA CYS 8 -3.606 7.029 -2.522 55 1HB CYS 8 2HB CYS 8 -3.930 4.610 -1.781 56 2HB CYS 8 1HB CYS 8 -5.329 4.519 -2.869 57 HA PRO 9 HA PRO 9 -6.445 9.451 -4.210 58 1HB PRO 9 2HB PRO 9 -5.337 10.493 -6.519 59 2HB PRO 9 1HB PRO 9 -4.514 10.597 -4.922 60 1HG PRO 9 2HG PRO 9 -4.086 8.434 -7.066 61 2HG PRO 9 1HG PRO 9 -2.822 9.496 -6.300 62 1HD PRO 9 2HD PRO 9 -3.424 6.966 -5.353 63 2HD PRO 9 1HD PRO 9 -3.030 8.326 -4.187 64 H LEU 10 H LEU 10 -7.803 10.305 -5.945 65 HA LEU 10 HA LEU 10 -9.424 8.374 -7.095 66 1HB LEU 10 2HB LEU 10 -10.094 10.628 -6.291 67 2HB LEU 10 1HB LEU 10 -9.102 11.390 -7.562 68 HG LEU 10 HG LEU 10 -10.609 10.425 -9.314 69 1HD1 LEU 10 1HD1 LEU 10 -12.282 9.426 -6.917 70 2HD1 LEU 10 2HD1 LEU 10 -11.465 8.390 -8.147 71 3HD1 LEU 10 3HD1 LEU 10 -12.826 9.462 -8.635 72 1HD2 LEU 10 1HD2 LEU 10 -12.069 12.009 -7.108 73 2HD2 LEU 10 2HD2 LEU 10 -12.513 11.939 -8.855 74 3HD2 LEU 10 3HD2 LEU 10 -10.964 12.712 -8.347 75 H SER 11 H SER 11 -6.752 10.228 -8.465 76 HA SER 11 HA SER 11 -7.269 9.185 -11.115 77 1HB SER 11 2HB SER 11 -5.384 10.519 -11.888 78 2HB SER 11 1HB SER 11 -6.537 11.513 -10.950 79 HG SER 11 HG SER 11 -4.143 11.596 -10.578 80 H HIS 12 H HIS 12 -5.191 8.414 -12.248 81 HA HIS 12 HA HIS 12 -4.868 5.997 -12.135 82 1HB HIS 12 2HB HIS 12 -3.613 7.538 -13.578 83 2HB HIS 12 1HB HIS 12 -2.458 7.868 -12.264 84 HD1 HIS 12 1HD HIS 12 -0.569 6.146 -11.977 85 HD2 HIS 12 2HD HIS 12 -3.405 4.973 -14.840 86 HE1 HIS 12 1HE HIS 12 0.387 4.148 -13.177 87 HE2 HIS 12 2HE HIS 12 -1.373 3.485 -14.922 88 H ASP 13 H ASP 13 -4.739 4.352 -10.801 89 HA ASP 13 HA ASP 13 -2.477 4.266 -8.982 90 1HB ASP 13 2HB ASP 13 -3.783 3.261 -7.237 91 2HB ASP 13 1HB ASP 13 -4.606 4.775 -7.733 92 H GLY 14 H GLY 14 -1.811 2.031 -8.449 93 1HA GLY 14 2HA GLY 14 -2.524 -0.229 -8.806 94 2HA GLY 14 1HA GLY 14 -2.607 0.124 -10.560 95 H TYR 15 H TYR 15 0.002 1.217 -8.431 96 HA TYR 15 HA TYR 15 1.918 -0.356 -9.900 97 1HB TYR 15 2HB TYR 15 2.560 1.922 -9.247 98 2HB TYR 15 1HB TYR 15 2.104 1.600 -7.548 99 HD1 TYR 15 1HD TYR 15 3.850 1.276 -6.144 100 HD2 TYR 15 2HD TYR 15 4.290 0.021 -10.177 101 HE1 TYR 15 1HE TYR 15 6.084 0.432 -5.629 102 HE2 TYR 15 2HE TYR 15 6.527 -0.827 -9.670 103 HH TYR 15 HH TYR 15 7.822 -0.819 -6.376 104 H CYS 16 H CYS 16 0.467 -0.198 -6.648 105 HA CYS 16 HA CYS 16 2.070 -2.399 -5.750 106 1HB CYS 16 2HB CYS 16 -0.222 -1.050 -4.257 107 2HB CYS 16 1HB CYS 16 1.191 -1.910 -3.565 108 H LEU 17 H LEU 17 1.479 -4.534 -5.760 109 HA LEU 17 HA LEU 17 -1.114 -5.156 -6.793 110 1HB LEU 17 2HB LEU 17 1.310 -6.797 -6.005 111 2HB LEU 17 1HB LEU 17 -0.224 -7.565 -6.505 112 HG LEU 17 HG LEU 17 1.297 -7.595 -8.316 113 1HD1 LEU 17 1HD1 LEU 17 -0.037 -6.602 -10.116 114 2HD1 LEU 17 2HD1 LEU 17 -0.885 -5.517 -8.961 115 3HD1 LEU 17 3HD1 LEU 17 -1.124 -7.305 -8.863 116 1HD2 LEU 17 1HD2 LEU 17 1.388 -4.530 -8.424 117 2HD2 LEU 17 2HD2 LEU 17 2.269 -5.702 -9.463 118 3HD2 LEU 17 3HD2 LEU 17 2.694 -5.551 -7.713 119 H HIS 18 H HIS 18 -2.383 -6.949 -5.839 120 HA HIS 18 HA HIS 18 -4.030 -7.182 -4.478 121 1HB HIS 18 2HB HIS 18 -1.835 -7.498 -2.385 122 2HB HIS 18 1HB HIS 18 -3.533 -8.072 -2.210 123 HD1 HIS 18 1HD HIS 18 -4.287 -9.966 -3.933 124 HD2 HIS 18 2HD HIS 18 -0.176 -9.122 -3.981 125 HE1 HIS 18 1HE HIS 18 -3.167 -11.840 -5.190 126 HE2 HIS 18 2HE HIS 18 -0.708 -11.327 -5.189 127 H ASP 19 H ASP 19 -4.033 -4.707 -5.039 128 HA ASP 19 HA ASP 19 -4.358 -2.645 -4.517 129 1HB ASP 19 2HB ASP 19 -6.495 -4.011 -4.423 130 2HB ASP 19 1HB ASP 19 -6.449 -3.839 -2.635 131 H GLY 20 H GLY 20 -2.249 -2.336 -3.586 132 1HA GLY 20 2HA GLY 20 -2.097 -2.075 -0.734 133 2HA GLY 20 1HA GLY 20 -0.873 -1.606 -1.966 134 H VAL 21 H VAL 21 -2.066 -0.230 0.515 135 HA VAL 21 HA VAL 21 -3.514 1.963 -0.644 136 HB VAL 21 HB VAL 21 -2.628 1.650 2.224 137 1HG1 VAL 21 1HG1 VAL 21 -4.805 3.334 0.791 138 2HG1 VAL 21 2HG1 VAL 21 -3.287 3.993 1.511 139 3HG1 VAL 21 3HG1 VAL 21 -4.538 3.254 2.566 140 1HG2 VAL 21 1HG2 VAL 21 -4.997 0.838 2.551 141 2HG2 VAL 21 2HG2 VAL 21 -4.016 -0.318 1.595 142 3HG2 VAL 21 3HG2 VAL 21 -5.203 0.756 0.766 143 H CYS 22 H CYS 22 -2.325 3.369 -1.826 144 HA CYS 22 HA CYS 22 0.337 4.028 -0.969 145 1HB CYS 22 2HB CYS 22 0.658 5.109 -2.989 146 2HB CYS 22 1HB CYS 22 -0.251 3.627 -3.357 147 H MET 23 H MET 23 1.149 6.070 -0.432 148 HA MET 23 HA MET 23 -0.725 8.225 -0.141 149 1HB MET 23 2HB MET 23 0.002 8.570 2.326 150 2HB MET 23 1HB MET 23 -1.287 7.411 1.925 151 1HG MET 23 2HG MET 23 0.184 5.495 2.131 152 2HG MET 23 1HG MET 23 1.615 6.538 2.342 153 1HE MET 23 1HE MET 23 0.623 4.057 4.061 154 2HE MET 23 2HE MET 23 1.155 4.622 5.682 155 3HE MET 23 3HE MET 23 2.175 4.948 4.240 156 H TYR 24 H TYR 24 0.244 9.672 -1.269 157 HA TYR 24 HA TYR 24 2.985 10.442 -0.700 158 1HB TYR 24 2HB TYR 24 2.280 10.439 -3.082 159 2HB TYR 24 1HB TYR 24 0.815 11.387 -2.659 160 HD1 TYR 24 1HD TYR 24 4.451 11.984 -1.774 161 HD2 TYR 24 2HD TYR 24 0.922 13.216 -3.809 162 HE1 TYR 24 1HE TYR 24 5.537 14.063 -2.388 163 HE2 TYR 24 2HE TYR 24 1.992 15.285 -4.447 164 HH TYR 24 HH TYR 24 5.241 16.148 -3.277 165 H ILE 25 H ILE 25 3.478 12.110 0.729 166 HA ILE 25 HA ILE 25 1.289 13.911 1.429 167 HB ILE 25 HB ILE 25 3.593 13.040 3.203 168 1HG1 ILE 25 2HG1 ILE 25 1.420 12.215 4.537 169 2HG1 ILE 25 1HG1 ILE 25 0.763 11.973 2.898 170 1HG2 ILE 25 1HG2 ILE 25 1.050 14.762 3.552 171 2HG2 ILE 25 2HG2 ILE 25 2.762 15.359 3.541 172 3HG2 ILE 25 3HG2 ILE 25 2.186 14.305 4.885 173 1HD1 ILE 25 1HD1 ILE 25 3.344 10.725 4.093 174 2HD1 ILE 25 2HD1 ILE 25 2.844 10.523 2.382 175 3HD1 ILE 25 3HD1 ILE 25 1.812 9.863 3.685 176 H GLU 26 H GLU 26 1.714 15.614 0.136 177 HA GLU 26 HA GLU 26 4.041 16.326 -0.936 178 1HB GLU 26 2HB GLU 26 3.019 18.503 -1.425 179 2HB GLU 26 1HB GLU 26 1.874 17.160 -1.654 180 1HG GLU 26 2HG GLU 26 0.833 17.674 0.596 181 2HG GLU 26 1HG GLU 26 1.948 19.073 0.785 182 H ALA 27 H ALA 27 2.879 17.480 2.184 183 HA ALA 27 HA ALA 27 4.765 19.455 2.616 184 1HB ALA 27 1HB ALA 27 3.259 17.666 4.635 185 2HB ALA 27 2HB ALA 27 2.582 19.149 3.863 186 3HB ALA 27 3HB ALA 27 3.977 19.268 4.990 187 H LEU 28 H LEU 28 4.843 15.996 3.373 188 HA LEU 28 HA LEU 28 7.279 16.270 4.879 189 1HB LEU 28 2HB LEU 28 5.715 13.782 3.983 190 2HB LEU 28 1HB LEU 28 7.045 13.809 5.182 191 HG LEU 28 HG LEU 28 4.283 15.114 5.484 192 1HD1 LEU 28 1HD1 LEU 28 3.983 13.408 7.273 193 2HD1 LEU 28 2HD1 LEU 28 5.613 12.730 6.924 194 3HD1 LEU 28 3HD1 LEU 28 4.302 12.616 5.684 195 1HD2 LEU 28 1HD2 LEU 28 5.005 15.547 7.864 196 2HD2 LEU 28 2HD2 LEU 28 5.856 16.551 6.647 197 3HD2 LEU 28 3HD2 LEU 28 6.699 15.132 7.399 198 H ASP 29 H ASP 29 6.254 15.457 1.675 199 HA ASP 29 HA ASP 29 7.249 15.318 -0.193 200 1HB ASP 29 2HB ASP 29 8.575 17.196 0.773 201 2HB ASP 29 1HB ASP 29 9.868 16.035 1.198 202 H LYS 30 H LYS 30 6.891 13.003 1.494 203 HA LYS 30 HA LYS 30 8.621 11.178 -0.003 204 1HB LYS 30 2HB LYS 30 9.008 9.819 1.893 205 2HB LYS 30 1HB LYS 30 9.449 11.518 2.239 206 1HG LYS 30 2HG LYS 30 8.513 10.810 4.198 207 2HG LYS 30 1HG LYS 30 7.212 11.783 3.467 208 1HD LYS 30 2HD LYS 30 5.959 9.821 2.861 209 2HD LYS 30 1HD LYS 30 7.345 8.732 3.087 210 1HE LYS 30 2HE LYS 30 6.059 10.309 5.429 211 2HE LYS 30 1HE LYS 30 5.479 8.677 4.919 212 1HZ LYS 30 1HZ LYS 30 7.543 7.725 5.450 213 2HZ LYS 30 2HZ LYS 30 7.170 8.719 6.758 214 3HZ LYS 30 3HZ LYS 30 8.321 9.202 5.655 215 H TYR 31 H TYR 31 7.845 9.075 -0.300 216 HA TYR 31 HA TYR 31 4.912 8.929 -0.485 217 1HB TYR 31 2HB TYR 31 7.160 7.525 -2.072 218 2HB TYR 31 1HB TYR 31 5.410 7.203 -2.303 219 HD1 TYR 31 1HD TYR 31 4.009 8.808 -3.342 220 HD2 TYR 31 2HD TYR 31 8.150 9.525 -2.874 221 HE1 TYR 31 1HE TYR 31 3.873 10.637 -5.002 222 HE2 TYR 31 2HE TYR 31 8.042 11.351 -4.511 223 HH TYR 31 HH TYR 31 6.707 12.650 -5.743 224 H ALA 32 H ALA 32 3.944 6.819 -0.003 225 HA ALA 32 HA ALA 32 5.763 4.731 0.007 226 1HB ALA 32 1HB ALA 32 5.274 3.664 2.225 227 2HB ALA 32 2HB ALA 32 4.212 5.051 2.671 228 3HB ALA 32 3HB ALA 32 5.990 5.280 2.497 229 H CYS 33 H CYS 33 4.684 2.585 0.052 230 HA CYS 33 HA CYS 33 1.779 2.769 -0.281 231 1HB CYS 33 2HB CYS 33 3.150 2.425 -2.467 232 2HB CYS 33 1HB CYS 33 3.558 0.812 -1.837 233 H ASN 34 H ASN 34 0.689 1.516 1.138 234 HA ASN 34 HA ASN 34 2.287 -0.321 2.741 235 1HB ASN 34 2HB ASN 34 0.734 1.630 3.558 236 2HB ASN 34 1HB ASN 34 -0.640 0.560 3.139 237 1HD2 ASN 34 1HD2 ASN 34 -0.955 -1.377 4.494 238 2HD2 ASN 34 2HD2 ASN 34 -0.156 -1.511 6.024 239 H CYS 35 H CYS 35 1.895 -2.607 2.768 240 HA CYS 35 HA CYS 35 0.049 -3.469 0.661 241 1HB CYS 35 2HB CYS 35 2.422 -4.894 1.942 242 2HB CYS 35 1HB CYS 35 1.355 -5.573 0.673 243 H VAL 36 H VAL 36 -0.941 -5.588 0.921 244 HA VAL 36 HA VAL 36 -2.117 -5.944 3.509 245 HB VAL 36 HB VAL 36 -2.272 -7.735 1.089 246 1HG1 VAL 36 1HG1 VAL 36 -4.024 -7.492 3.616 247 2HG1 VAL 36 2HG1 VAL 36 -3.073 -8.935 3.077 248 3HG1 VAL 36 3HG1 VAL 36 -4.492 -8.392 2.132 249 1HG2 VAL 36 1HG2 VAL 36 -4.102 -5.402 2.016 250 2HG2 VAL 36 2HG2 VAL 36 -4.458 -6.529 0.659 251 3HG2 VAL 36 3HG2 VAL 36 -3.087 -5.385 0.533 252 H VAL 37 H VAL 37 -1.884 -7.781 4.781 253 HA VAL 37 HA VAL 37 0.826 -8.540 5.056 254 HB VAL 37 HB VAL 37 -0.546 -7.898 6.910 255 1HG1 VAL 37 1HG1 VAL 37 -2.026 -10.579 6.497 256 2HG1 VAL 37 2HG1 VAL 37 -2.726 -8.938 6.225 257 3HG1 VAL 37 3HG1 VAL 37 -2.215 -9.445 7.873 258 1HG2 VAL 37 1HG2 VAL 37 0.259 -9.600 8.482 259 2HG2 VAL 37 2HG2 VAL 37 1.515 -9.293 7.232 260 3HG2 VAL 37 3HG2 VAL 37 0.505 -10.790 7.162 261 H GLY 38 H GLY 38 1.878 -10.430 4.809 262 1HA GLY 38 2HA GLY 38 2.231 -12.555 4.315 263 2HA GLY 38 1HA GLY 38 0.473 -12.818 4.081 264 H TYR 39 H TYR 39 2.024 -10.212 2.419 265 HA TYR 39 HA TYR 39 2.127 -11.744 -0.075 266 1HB TYR 39 2HB TYR 39 1.018 -8.915 0.390 267 2HB TYR 39 1HB TYR 39 1.512 -9.526 -1.232 268 HD1 TYR 39 1HD TYR 39 0.354 -11.335 -2.287 269 HD2 TYR 39 2HD TYR 39 -0.960 -9.828 1.455 270 HE1 TYR 39 1HE TYR 39 -1.764 -12.526 -2.559 271 HE2 TYR 39 2HE TYR 39 -3.090 -10.992 1.185 272 HH TYR 39 HH TYR 39 -4.278 -12.436 -0.045 273 H ILE 40 H ILE 40 3.914 -11.536 -1.222 274 HA ILE 40 HA ILE 40 6.084 -9.993 -0.008 275 HB ILE 40 HB ILE 40 7.526 -11.985 -0.446 276 1HG1 ILE 40 2HG1 ILE 40 4.818 -13.401 -0.790 277 2HG1 ILE 40 1HG1 ILE 40 5.952 -13.057 -2.135 278 1HG2 ILE 40 1HG2 ILE 40 6.611 -11.334 1.798 279 2HG2 ILE 40 2HG2 ILE 40 6.840 -13.105 1.619 280 3HG2 ILE 40 3HG2 ILE 40 5.189 -12.402 1.516 281 1HD1 ILE 40 1HD1 ILE 40 6.305 -15.374 -1.430 282 2HD1 ILE 40 2HD1 ILE 40 6.431 -14.903 0.295 283 3HD1 ILE 40 3HD1 ILE 40 7.732 -14.428 -0.839 284 H GLY 41 H GLY 41 8.073 -10.088 -1.406 285 1HA GLY 41 2HA GLY 41 8.989 -9.639 -3.473 286 2HA GLY 41 1HA GLY 41 7.343 -9.472 -4.185 287 H GLU 42 H GLU 42 9.284 -7.436 -4.560 288 HA GLU 42 HA GLU 42 9.402 -5.536 -2.595 289 1HB GLU 42 2HB GLU 42 9.502 -5.315 -5.652 290 2HB GLU 42 1HB GLU 42 9.975 -3.994 -4.553 291 1HG GLU 42 2HG GLU 42 11.316 -6.773 -4.693 292 2HG GLU 42 1HG GLU 42 11.915 -5.253 -5.435 293 H ARG 43 H ARG 43 7.207 -5.639 -5.376 294 HA ARG 43 HA ARG 43 5.474 -3.639 -4.128 295 1HB ARG 43 2HB ARG 43 4.418 -3.634 -6.447 296 2HB ARG 43 1HB ARG 43 6.065 -3.011 -6.311 297 1HG ARG 43 2HG ARG 43 6.019 -5.938 -6.938 298 2HG ARG 43 1HG ARG 43 5.175 -4.907 -8.134 299 1HD ARG 43 2HD ARG 43 7.189 -3.434 -8.324 300 2HD ARG 43 1HD ARG 43 8.113 -4.542 -7.238 301 HE ARG 43 HE ARG 43 7.074 -6.283 -9.161 302 1HH1 ARG 43 1HH1 ARG 43 9.176 -3.395 -9.403 303 2HH1 ARG 43 2HH1 ARG 43 9.243 -3.461 -11.131 304 1HH2 ARG 43 1HH2 ARG 43 7.848 -6.689 -11.319 305 2HH2 ARG 43 2HH2 ARG 43 8.616 -5.434 -12.182 306 H CYS 44 H CYS 44 5.665 -6.434 -3.174 307 HA CYS 44 HA CYS 44 4.352 -7.918 -2.332 308 1HB CYS 44 2HB CYS 44 2.300 -5.686 -2.526 309 2HB CYS 44 1HB CYS 44 2.247 -7.060 -1.379 310 H GLN 45 H GLN 45 4.542 -8.632 -4.907 311 HA GLN 45 HA GLN 45 2.024 -8.837 -6.150 312 1HB GLN 45 2HB GLN 45 4.596 -10.309 -6.862 313 2HB GLN 45 1HB GLN 45 3.172 -9.999 -7.910 314 1HG GLN 45 2HG GLN 45 3.607 -7.484 -7.602 315 2HG GLN 45 1HG GLN 45 5.135 -7.911 -6.759 316 1HE2 GLN 45 1HE2 GLN 45 3.456 -9.031 -9.811 317 2HE2 GLN 45 2HE2 GLN 45 4.820 -8.684 -10.833 318 H TYR 46 H TYR 46 3.928 -11.263 -4.348 319 HA TYR 46 HA TYR 46 1.933 -13.274 -5.149 320 1HB TYR 46 2HB TYR 46 4.743 -13.870 -4.098 321 2HB TYR 46 1HB TYR 46 3.658 -14.931 -5.058 322 HD1 TYR 46 1HD TYR 46 3.121 -14.080 -7.466 323 HD2 TYR 46 2HD TYR 46 6.350 -12.644 -5.115 324 HE1 TYR 46 1HE TYR 46 4.214 -13.250 -9.485 325 HE2 TYR 46 2HE TYR 46 7.451 -11.802 -7.113 326 HH TYR 46 HH TYR 46 5.965 -12.211 -10.348 327 H ARG 47 H ARG 47 1.366 -14.894 -3.424 328 HA ARG 47 HA ARG 47 1.740 -13.718 -0.753 329 1HB ARG 47 2HB ARG 47 0.013 -15.527 -0.069 330 2HB ARG 47 1HB ARG 47 -0.457 -13.988 -0.784 331 1HG ARG 47 2HG ARG 47 -0.768 -14.994 -2.998 332 2HG ARG 47 1HG ARG 47 -0.235 -16.600 -2.391 333 1HD ARG 47 2HD ARG 47 -2.201 -16.778 -0.929 334 2HD ARG 47 1HD ARG 47 -2.645 -15.053 -1.207 335 HE ARG 47 HE ARG 47 -2.746 -17.254 -3.318 336 1HH1 ARG 47 1HH1 ARG 47 -3.784 -13.906 -2.361 337 2HH1 ARG 47 2HH1 ARG 47 -4.533 -13.704 -3.918 338 1HH2 ARG 47 1HH2 ARG 47 -3.939 -16.944 -5.072 339 2HH2 ARG 47 2HH2 ARG 47 -4.939 -15.528 -5.263 340 H ASP 48 H ASP 48 2.436 -14.787 1.010 341 HA ASP 48 HA ASP 48 3.843 -17.298 0.531 342 1HB ASP 48 2HB ASP 48 4.987 -15.393 1.834 343 2HB ASP 48 1HB ASP 48 3.772 -15.678 3.132 344 H LEU 49 H LEU 49 2.557 -19.049 0.681 345 HA LEU 49 HA LEU 49 0.086 -18.842 2.129 346 1HB LEU 49 2HB LEU 49 0.634 -19.870 -0.240 347 2HB LEU 49 1HB LEU 49 1.109 -21.313 0.691 348 HG LEU 49 HG LEU 49 -1.259 -21.197 1.762 349 1HD1 LEU 49 1HD1 LEU 49 -1.839 -18.825 1.192 350 2HD1 LEU 49 2HD1 LEU 49 -3.011 -19.978 0.457 351 3HD1 LEU 49 3HD1 LEU 49 -1.732 -19.226 -0.566 352 1HD2 LEU 49 1HD2 LEU 49 -1.020 -21.644 -1.280 353 2HD2 LEU 49 2HD2 LEU 49 -2.338 -22.268 -0.215 354 3HD2 LEU 49 3HD2 LEU 49 -0.646 -22.843 0.016 355 H LYS 50 H LYS 50 3.178 -19.645 3.101 356 HA LYS 50 HA LYS 50 2.684 -22.235 4.108 357 1HB LYS 50 2HB LYS 50 5.064 -20.329 4.244 358 2HB LYS 50 1HB LYS 50 5.086 -21.993 4.910 359 1HG LYS 50 2HG LYS 50 6.173 -22.128 2.897 360 2HG LYS 50 1HG LYS 50 4.589 -22.870 2.583 361 1HD LYS 50 2HD LYS 50 4.036 -21.294 1.010 362 2HD LYS 50 1HD LYS 50 4.663 -19.927 1.977 363 1HE LYS 50 2HE LYS 50 6.512 -21.842 0.445 364 2HE LYS 50 1HE LYS 50 5.828 -20.298 -0.246 365 1HZ LYS 50 1HZ LYS 50 7.687 -20.630 2.040 366 2HZ LYS 50 2HZ LYS 50 6.818 -19.182 1.750 367 3HZ LYS 50 3HZ LYS 50 7.910 -19.783 0.612 368 H TRP 51 H TRP 51 2.571 -19.063 5.603 369 HA TRP 51 HA TRP 51 2.846 -20.090 8.242 370 1HB TRP 51 2HB TRP 51 2.302 -17.814 8.952 371 2HB TRP 51 1HB TRP 51 3.582 -17.863 7.696 372 HD1 TRP 51 HD TRP 51 2.880 -16.878 5.194 373 HE1 TRP 51 1HE TRP 51 0.910 -15.458 4.435 374 HE3 TRP 51 3HE TRP 51 0.089 -17.016 9.435 375 HZ2 TRP 51 2HZ TRP 51 -1.266 -14.098 5.657 376 HZ3 TRP 51 3HZ TRP 51 -1.905 -15.610 9.585 377 HH2 TRP 51 HH TRP 51 -2.581 -14.182 7.731 378 H TRP 52 H TRP 52 0.226 -19.742 6.081 379 HA TRP 52 HA TRP 52 -1.870 -19.584 7.933 380 1HB TRP 52 2HB TRP 52 -1.851 -20.728 5.096 381 2HB TRP 52 1HB TRP 52 -3.325 -20.354 6.039 382 HD1 TRP 52 HD TRP 52 -0.368 -18.416 4.312 383 HE1 TRP 52 1HE TRP 52 -1.385 -16.200 3.480 384 HE3 TRP 52 3HE TRP 52 -4.856 -18.668 6.662 385 HZ2 TRP 52 2HZ TRP 52 -3.763 -14.764 3.801 386 HZ3 TRP 52 3HZ TRP 52 -6.435 -16.826 6.392 387 HH2 TRP 52 HH TRP 52 -5.910 -14.905 4.989 388 H GLU 53 H GLU 53 -0.263 -22.408 6.507 389 HA GLU 53 HA GLU 53 -1.957 -24.141 8.158 390 1HB GLU 53 2HB GLU 53 -1.869 -24.502 5.654 391 2HB GLU 53 1HB GLU 53 -0.178 -25.024 5.869 392 1HG GLU 53 2HG GLU 53 -1.052 -26.819 7.514 393 2HG GLU 53 1HG GLU 53 -2.714 -26.250 7.155 394 H LEU 54 H LEU 54 -0.623 -23.150 9.938 395 HA LEU 54 HA LEU 54 1.632 -24.966 10.444 396 1HB LEU 54 2HB LEU 54 0.877 -22.287 11.716 397 2HB LEU 54 1HB LEU 54 2.157 -23.374 12.344 398 HG LEU 54 HG LEU 54 2.201 -22.127 9.544 399 1HD1 LEU 54 1HD1 LEU 54 2.289 -20.357 11.297 400 2HD1 LEU 54 2HD1 LEU 54 3.884 -20.536 10.475 401 3HD1 LEU 54 3HD1 LEU 54 3.639 -21.226 12.123 402 1HD2 LEU 54 1HD2 LEU 54 4.383 -23.551 11.210 403 2HD2 LEU 54 2HD2 LEU 54 4.637 -22.741 9.620 404 3HD2 LEU 54 3HD2 LEU 54 3.585 -24.200 9.726 Start of MODEL 16 1 1H VAL 1 1HT VAL 1 7.406 16.435 5.971 2 2H VAL 1 2HT VAL 1 8.364 17.397 6.954 3 3H VAL 1 3HT VAL 1 6.985 18.046 6.277 4 HA VAL 1 HA VAL 1 6.970 15.886 8.277 5 HB VAL 1 HB VAL 1 6.370 18.860 8.505 6 1HG1 VAL 1 1HG1 VAL 1 6.043 18.365 10.950 7 2HG1 VAL 1 2HG1 VAL 1 6.093 16.607 10.608 8 3HG1 VAL 1 3HG1 VAL 1 4.755 17.632 9.948 9 1HG2 VAL 1 1HG2 VAL 1 8.235 18.783 10.187 10 2HG2 VAL 1 2HG2 VAL 1 8.830 18.374 8.553 11 3HG2 VAL 1 3HG2 VAL 1 8.552 17.071 9.772 12 H VAL 2 H VAL 2 4.867 15.021 8.808 13 HA VAL 2 HA VAL 2 2.835 15.767 6.879 14 HB VAL 2 HB VAL 2 3.557 13.572 6.634 15 1HG1 VAL 2 1HG1 VAL 2 2.908 13.104 9.614 16 2HG1 VAL 2 2HG1 VAL 2 4.557 13.114 8.870 17 3HG1 VAL 2 3HG1 VAL 2 3.370 11.862 8.404 18 1HG2 VAL 2 1HG2 VAL 2 1.422 12.400 6.852 19 2HG2 VAL 2 2HG2 VAL 2 1.090 14.100 6.375 20 3HG2 VAL 2 3HG2 VAL 2 0.828 13.556 8.080 21 H SER 3 H SER 3 1.165 16.998 7.514 22 HA SER 3 HA SER 3 0.354 16.939 10.306 23 1HB SER 3 2HB SER 3 -1.231 18.724 9.563 24 2HB SER 3 1HB SER 3 0.491 19.117 9.273 25 HG SER 3 HG SER 3 -0.846 19.570 7.474 26 H HIS 4 H HIS 4 -1.073 16.399 7.084 27 HA HIS 4 HA HIS 4 -3.187 14.780 8.352 28 1HB HIS 4 2HB HIS 4 -3.225 16.450 5.774 29 2HB HIS 4 1HB HIS 4 -4.604 15.495 6.410 30 HD1 HIS 4 1HD HIS 4 -5.780 16.410 8.508 31 HD2 HIS 4 2HD HIS 4 -2.909 19.000 6.917 32 HE1 HIS 4 1HE HIS 4 -6.077 18.650 9.677 33 HE2 HIS 4 2HE HIS 4 -4.412 20.193 8.655 34 H PHE 5 H PHE 5 -3.564 12.744 7.627 35 HA PHE 5 HA PHE 5 -1.957 11.774 5.369 36 1HB PHE 5 2HB PHE 5 -3.392 10.335 7.680 37 2HB PHE 5 1HB PHE 5 -2.713 9.480 6.258 38 HD1 PHE 5 1HD PHE 5 -1.868 11.461 9.250 39 HD2 PHE 5 2HD PHE 5 -0.404 9.169 5.986 40 HE1 PHE 5 1HE PHE 5 0.303 11.272 10.361 41 HE2 PHE 5 2HE PHE 5 1.768 8.967 7.100 42 HZ PHE 5 HZ PHE 5 2.119 10.003 9.299 43 H ASN 6 H ASN 6 -3.031 11.371 3.447 44 HA ASN 6 HA ASN 6 -5.795 10.578 3.638 45 1HB ASN 6 2HB ASN 6 -6.554 12.162 1.866 46 2HB ASN 6 1HB ASN 6 -6.047 12.990 3.366 47 1HD2 ASN 6 1HD2 ASN 6 -4.911 12.213 -0.003 48 2HD2 ASN 6 2HD2 ASN 6 -4.038 13.717 -0.114 49 H ASP 7 H ASP 7 -6.671 9.793 1.517 50 HA ASP 7 HA ASP 7 -4.736 8.066 0.404 51 1HB ASP 7 2HB ASP 7 -6.707 7.077 -0.736 52 2HB ASP 7 1HB ASP 7 -7.003 7.299 1.023 53 H CYS 8 H CYS 8 -4.736 7.703 -2.004 54 HA CYS 8 HA CYS 8 -3.694 10.053 -3.120 55 1HB CYS 8 2HB CYS 8 -2.906 8.626 -4.892 56 2HB CYS 8 1HB CYS 8 -2.521 8.013 -3.273 57 HA PRO 9 HA PRO 9 -7.418 10.412 -5.629 58 1HB PRO 9 2HB PRO 9 -7.729 13.101 -5.710 59 2HB PRO 9 1HB PRO 9 -7.973 12.147 -4.211 60 1HG PRO 9 2HG PRO 9 -5.644 13.964 -4.881 61 2HG PRO 9 1HG PRO 9 -6.379 13.561 -3.284 62 1HD PRO 9 2HD PRO 9 -4.057 12.289 -4.580 63 2HD PRO 9 1HD PRO 9 -4.810 11.887 -2.990 64 H LEU 10 H LEU 10 -5.159 13.025 -6.572 65 HA LEU 10 HA LEU 10 -5.697 12.536 -9.291 66 1HB LEU 10 2HB LEU 10 -4.361 14.351 -9.862 67 2HB LEU 10 1HB LEU 10 -5.327 14.786 -8.441 68 HG LEU 10 HG LEU 10 -2.330 14.092 -8.435 69 1HD1 LEU 10 1HD1 LEU 10 -2.863 16.197 -9.639 70 2HD1 LEU 10 2HD1 LEU 10 -2.009 16.519 -8.085 71 3HD1 LEU 10 3HD1 LEU 10 -3.789 16.791 -8.208 72 1HD2 LEU 10 1HD2 LEU 10 -4.153 15.163 -6.183 73 2HD2 LEU 10 2HD2 LEU 10 -2.358 15.162 -6.135 74 3HD2 LEU 10 3HD2 LEU 10 -3.238 13.596 -6.173 75 H SER 11 H SER 11 -2.832 11.919 -7.329 76 HA SER 11 HA SER 11 -1.404 10.864 -9.582 77 1HB SER 11 2HB SER 11 -0.251 12.180 -7.839 78 2HB SER 11 1HB SER 11 -0.646 10.932 -6.619 79 HG SER 11 HG SER 11 0.736 9.596 -7.522 80 H HIS 12 H HIS 12 -1.786 8.912 -10.354 81 HA HIS 12 HA HIS 12 -2.690 6.778 -8.572 82 1HB HIS 12 2HB HIS 12 -2.593 7.163 -11.593 83 2HB HIS 12 1HB HIS 12 -2.763 5.524 -10.903 84 HD1 HIS 12 1HD HIS 12 -4.799 4.952 -9.559 85 HD2 HIS 12 2HD HIS 12 -5.000 8.817 -11.161 86 HE1 HIS 12 1HE HIS 12 -7.215 5.716 -9.349 87 HE2 HIS 12 2HE HIS 12 -7.277 8.064 -10.278 88 H ASP 13 H ASP 13 -1.388 5.338 -7.729 89 HA ASP 13 HA ASP 13 1.281 4.973 -8.639 90 1HB ASP 13 2HB ASP 13 -0.536 3.807 -6.467 91 2HB ASP 13 1HB ASP 13 0.994 2.956 -6.873 92 H GLY 14 H GLY 14 2.166 2.920 -9.135 93 1HA GLY 14 2HA GLY 14 0.448 1.364 -10.959 94 2HA GLY 14 1HA GLY 14 2.113 1.918 -11.338 95 H TYR 15 H TYR 15 3.076 1.363 -8.596 96 HA TYR 15 HA TYR 15 3.312 -1.513 -8.787 97 1HB TYR 15 2HB TYR 15 4.974 0.727 -7.835 98 2HB TYR 15 1HB TYR 15 4.793 -0.471 -6.522 99 HD1 TYR 15 1HD TYR 15 5.176 -2.893 -7.064 100 HD2 TYR 15 2HD TYR 15 6.437 0.265 -9.594 101 HE1 TYR 15 1HE TYR 15 6.785 -4.406 -8.146 102 HE2 TYR 15 2HE TYR 15 8.066 -1.232 -10.665 103 HH TYR 15 HH TYR 15 8.811 -3.370 -10.853 104 H CYS 16 H CYS 16 1.585 0.867 -6.876 105 HA CYS 16 HA CYS 16 1.121 -1.107 -4.803 106 1HB CYS 16 2HB CYS 16 -0.135 1.652 -5.080 107 2HB CYS 16 1HB CYS 16 -0.213 0.555 -3.666 108 H LEU 17 H LEU 17 -0.090 -2.730 -5.368 109 HA LEU 17 HA LEU 17 -2.769 -2.353 -6.285 110 1HB LEU 17 2HB LEU 17 -2.537 -3.854 -8.253 111 2HB LEU 17 1HB LEU 17 -1.662 -2.314 -8.392 112 HG LEU 17 HG LEU 17 0.477 -3.570 -7.692 113 1HD1 LEU 17 1HD1 LEU 17 -0.396 -5.723 -6.863 114 2HD1 LEU 17 2HD1 LEU 17 0.478 -6.026 -8.400 115 3HD1 LEU 17 3HD1 LEU 17 -1.324 -5.980 -8.394 116 1HD2 LEU 17 1HD2 LEU 17 0.872 -4.291 -10.029 117 2HD2 LEU 17 2HD2 LEU 17 -0.021 -2.725 -9.980 118 3HD2 LEU 17 3HD2 LEU 17 -0.904 -4.255 -10.359 119 H HIS 18 H HIS 18 -3.695 -4.758 -6.571 120 HA HIS 18 HA HIS 18 -4.285 -6.577 -5.575 121 1HB HIS 18 2HB HIS 18 -1.788 -7.110 -5.545 122 2HB HIS 18 1HB HIS 18 -1.799 -6.659 -3.827 123 HD1 HIS 18 1HD HIS 18 -3.755 -8.249 -2.437 124 HD2 HIS 18 2HD HIS 18 -2.065 -9.713 -5.982 125 HE1 HIS 18 1HE HIS 18 -3.950 -10.749 -2.349 126 HE2 HIS 18 2HE HIS 18 -2.977 -11.612 -4.512 127 H ASP 19 H ASP 19 -5.434 -4.350 -4.862 128 HA ASP 19 HA ASP 19 -6.530 -3.195 -3.400 129 1HB ASP 19 2HB ASP 19 -6.581 -5.849 -1.884 130 2HB ASP 19 1HB ASP 19 -7.663 -4.445 -1.540 131 H GLY 20 H GLY 20 -4.379 -2.056 -3.182 132 1HA GLY 20 2HA GLY 20 -3.293 -2.307 -0.473 133 2HA GLY 20 1HA GLY 20 -2.534 -1.582 -1.935 134 H VAL 21 H VAL 21 -3.223 -0.598 0.919 135 HA VAL 21 HA VAL 21 -5.011 1.570 0.377 136 HB VAL 21 HB VAL 21 -3.269 1.066 2.809 137 1HG1 VAL 21 1HG1 VAL 21 -5.760 2.841 2.319 138 2HG1 VAL 21 2HG1 VAL 21 -4.086 3.443 2.621 139 3HG1 VAL 21 3HG1 VAL 21 -4.970 2.556 3.907 140 1HG2 VAL 21 1HG2 VAL 21 -5.413 0.159 3.784 141 2HG2 VAL 21 2HG2 VAL 21 -4.785 -0.875 2.458 142 3HG2 VAL 21 3HG2 VAL 21 -6.172 0.235 2.155 143 H CYS 22 H CYS 22 -4.335 3.313 -0.761 144 HA CYS 22 HA CYS 22 -1.495 3.912 -0.835 145 1HB CYS 22 2HB CYS 22 -1.924 5.353 -2.684 146 2HB CYS 22 1HB CYS 22 -2.678 3.770 -2.973 147 H MET 23 H MET 23 -0.541 5.573 0.244 148 HA MET 23 HA MET 23 -2.266 7.826 0.996 149 1HB MET 23 2HB MET 23 0.261 6.786 2.375 150 2HB MET 23 1HB MET 23 -0.562 8.326 2.775 151 1HG MET 23 2HG MET 23 -1.858 5.554 3.017 152 2HG MET 23 1HG MET 23 -1.016 6.398 4.344 153 1HE MET 23 1HE MET 23 -4.763 6.348 5.320 154 2HE MET 23 2HE MET 23 -3.078 5.881 5.735 155 3HE MET 23 3HE MET 23 -3.886 5.153 4.309 156 H TYR 24 H TYR 24 -1.624 9.766 0.167 157 HA TYR 24 HA TYR 24 1.092 9.993 -0.884 158 1HB TYR 24 2HB TYR 24 -0.308 9.634 -2.899 159 2HB TYR 24 1HB TYR 24 -1.514 10.825 -2.283 160 HD1 TYR 24 1HD TYR 24 2.256 11.116 -2.504 161 HD2 TYR 24 2HD TYR 24 -1.595 12.394 -3.798 162 HE1 TYR 24 1HE TYR 24 3.278 12.953 -3.720 163 HE2 TYR 24 2HE TYR 24 -0.590 14.190 -5.056 164 HH TYR 24 HH TYR 24 1.312 15.276 -5.582 165 H ILE 25 H ILE 25 2.086 11.641 0.229 166 HA ILE 25 HA ILE 25 0.331 13.656 1.419 167 HB ILE 25 HB ILE 25 2.994 12.576 2.376 168 1HG1 ILE 25 2HG1 ILE 25 1.280 12.051 4.391 169 2HG1 ILE 25 1HG1 ILE 25 0.120 11.863 3.050 170 1HG2 ILE 25 1HG2 ILE 25 2.410 13.982 4.377 171 2HG2 ILE 25 2HG2 ILE 25 0.944 14.594 3.510 172 3HG2 ILE 25 3HG2 ILE 25 2.607 14.979 2.890 173 1HD1 ILE 25 1HD1 ILE 25 1.212 9.690 3.737 174 2HD1 ILE 25 2HD1 ILE 25 2.830 10.382 3.356 175 3HD1 ILE 25 3HD1 ILE 25 1.640 10.095 2.036 176 H GLU 26 H GLU 26 0.429 15.361 -0.013 177 HA GLU 26 HA GLU 26 2.544 15.904 -1.659 178 1HB GLU 26 2HB GLU 26 0.361 17.721 -0.540 179 2HB GLU 26 1HB GLU 26 1.495 18.197 -1.850 180 1HG GLU 26 2HG GLU 26 0.678 16.328 -3.272 181 2HG GLU 26 1HG GLU 26 -0.555 15.902 -2.034 182 H ALA 27 H ALA 27 2.072 16.962 1.676 183 HA ALA 27 HA ALA 27 4.043 18.894 1.795 184 1HB ALA 27 1HB ALA 27 3.283 16.843 3.960 185 2HB ALA 27 2HB ALA 27 2.381 18.369 3.609 186 3HB ALA 27 3HB ALA 27 4.073 18.437 4.218 187 H LEU 28 H LEU 28 4.406 15.402 1.666 188 HA LEU 28 HA LEU 28 7.250 15.597 2.282 189 1HB LEU 28 2HB LEU 28 5.562 13.123 1.670 190 2HB LEU 28 1HB LEU 28 7.226 13.173 2.325 191 HG LEU 28 HG LEU 28 4.636 14.044 3.712 192 1HD1 LEU 28 1HD1 LEU 28 4.997 11.576 3.545 193 2HD1 LEU 28 2HD1 LEU 28 5.133 12.151 5.247 194 3HD1 LEU 28 3HD1 LEU 28 6.620 11.761 4.309 195 1HD2 LEU 28 1HD2 LEU 28 6.348 15.589 4.496 196 2HD2 LEU 28 2HD2 LEU 28 7.525 14.231 4.755 197 3HD2 LEU 28 3HD2 LEU 28 6.041 14.351 5.776 198 H ASP 29 H ASP 29 5.005 15.087 -0.307 199 HA ASP 29 HA ASP 29 5.094 15.004 -2.427 200 1HB ASP 29 2HB ASP 29 6.969 16.622 -2.314 201 2HB ASP 29 1HB ASP 29 8.137 15.258 -2.367 202 H LYS 30 H LYS 30 5.714 12.783 -0.407 203 HA LYS 30 HA LYS 30 6.277 10.651 -2.351 204 1HB LYS 30 2HB LYS 30 6.984 10.734 0.630 205 2HB LYS 30 1HB LYS 30 7.434 9.448 -0.530 206 1HG LYS 30 2HG LYS 30 8.433 12.349 -0.531 207 2HG LYS 30 1HG LYS 30 9.329 10.903 0.014 208 1HD LYS 30 2HD LYS 30 9.256 9.971 -2.309 209 2HD LYS 30 1HD LYS 30 8.260 11.364 -2.833 210 1HE LYS 30 2HE LYS 30 10.672 11.557 -3.540 211 2HE LYS 30 1HE LYS 30 10.094 12.951 -2.541 212 1HZ LYS 30 1HZ LYS 30 11.258 12.240 -0.736 213 2HZ LYS 30 2HZ LYS 30 12.337 11.815 -1.984 214 3HZ LYS 30 3HZ LYS 30 11.396 10.626 -1.270 215 H TYR 31 H TYR 31 5.730 8.508 -1.484 216 HA TYR 31 HA TYR 31 2.905 8.578 -0.723 217 1HB TYR 31 2HB TYR 31 4.201 6.243 -2.209 218 2HB TYR 31 1HB TYR 31 2.509 6.812 -2.263 219 HD1 TYR 31 1HD TYR 31 1.957 8.743 -3.701 220 HD2 TYR 31 2HD TYR 31 5.892 7.180 -3.480 221 HE1 TYR 31 1HE TYR 31 2.542 9.979 -5.721 222 HE2 TYR 31 2HE TYR 31 6.499 8.403 -5.531 223 HH TYR 31 HH TYR 31 4.236 9.733 -7.574 224 H ALA 32 H ALA 32 2.150 6.497 0.310 225 HA ALA 32 HA ALA 32 4.210 4.635 0.866 226 1HB ALA 32 1HB ALA 32 2.641 5.795 3.262 227 2HB ALA 32 2HB ALA 32 4.411 5.986 2.979 228 3HB ALA 32 3HB ALA 32 3.737 4.359 3.332 229 H CYS 33 H CYS 33 3.378 2.562 0.695 230 HA CYS 33 HA CYS 33 0.442 2.416 0.570 231 1HB CYS 33 2HB CYS 33 2.487 0.796 -0.998 232 2HB CYS 33 1HB CYS 33 0.699 0.618 -1.064 233 H ASN 34 H ASN 34 -0.593 0.712 1.543 234 HA ASN 34 HA ASN 34 1.088 -1.066 3.167 235 1HB ASN 34 2HB ASN 34 -0.068 0.673 4.532 236 2HB ASN 34 1HB ASN 34 -1.642 0.156 3.856 237 1HD2 ASN 34 1HD2 ASN 34 1.258 -1.461 5.468 238 2HD2 ASN 34 2HD2 ASN 34 0.249 -2.401 6.527 239 H CYS 35 H CYS 35 0.290 -3.202 3.494 240 HA CYS 35 HA CYS 35 -1.729 -4.086 1.570 241 1HB CYS 35 2HB CYS 35 0.965 -5.432 2.187 242 2HB CYS 35 1HB CYS 35 -0.315 -6.129 1.144 243 H VAL 36 H VAL 36 -2.339 -6.430 2.111 244 HA VAL 36 HA VAL 36 -2.829 -6.722 4.903 245 HB VAL 36 HB VAL 36 -3.224 -8.725 2.670 246 1HG1 VAL 36 1HG1 VAL 36 -5.126 -9.470 4.151 247 2HG1 VAL 36 2HG1 VAL 36 -4.539 -8.369 5.443 248 3HG1 VAL 36 3HG1 VAL 36 -3.528 -9.771 4.889 249 1HG2 VAL 36 1HG2 VAL 36 -5.583 -7.795 2.602 250 2HG2 VAL 36 2HG2 VAL 36 -4.382 -6.619 1.997 251 3HG2 VAL 36 3HG2 VAL 36 -5.061 -6.441 3.661 252 H VAL 37 H VAL 37 -2.125 -8.642 6.108 253 HA VAL 37 HA VAL 37 0.692 -8.844 5.872 254 HB VAL 37 HB VAL 37 -0.420 -8.522 7.979 255 1HG1 VAL 37 1HG1 VAL 37 -1.580 -10.362 9.126 256 2HG1 VAL 37 2HG1 VAL 37 -1.374 -11.449 7.717 257 3HG1 VAL 37 3HG1 VAL 37 -2.442 -10.003 7.591 258 1HG2 VAL 37 1HG2 VAL 37 1.895 -9.489 7.842 259 2HG2 VAL 37 2HG2 VAL 37 1.187 -11.155 7.853 260 3HG2 VAL 37 3HG2 VAL 37 0.972 -10.078 9.270 261 H GLY 38 H GLY 38 1.988 -10.474 5.232 262 1HA GLY 38 2HA GLY 38 2.587 -12.514 4.580 263 2HA GLY 38 1HA GLY 38 0.913 -13.103 4.816 264 H TYR 39 H TYR 39 1.368 -10.320 2.831 265 HA TYR 39 HA TYR 39 1.338 -11.937 0.384 266 1HB TYR 39 2HB TYR 39 -0.282 -9.378 0.957 267 2HB TYR 39 1HB TYR 39 -0.138 -10.179 -0.659 268 HD1 TYR 39 1HD TYR 39 -1.605 -10.349 2.672 269 HD2 TYR 39 2HD TYR 39 -1.035 -12.442 -0.978 270 HE1 TYR 39 1HE TYR 39 -3.283 -11.971 3.360 271 HE2 TYR 39 2HE TYR 39 -2.725 -14.077 -0.303 272 HH TYR 39 HH TYR 39 -4.377 -13.851 2.844 273 H ILE 40 H ILE 40 3.250 -11.629 -0.529 274 HA ILE 40 HA ILE 40 4.756 -9.264 0.338 275 HB ILE 40 HB ILE 40 6.729 -10.691 0.323 276 1HG1 ILE 40 2HG1 ILE 40 4.710 -12.951 -0.257 277 2HG1 ILE 40 1HG1 ILE 40 5.968 -12.333 -1.382 278 1HG2 ILE 40 1HG2 ILE 40 5.289 -10.242 2.353 279 2HG2 ILE 40 2HG2 ILE 40 6.192 -11.793 2.418 280 3HG2 ILE 40 3HG2 ILE 40 4.434 -11.800 2.044 281 1HD1 ILE 40 1HD1 ILE 40 6.755 -14.409 -0.337 282 2HD1 ILE 40 2HD1 ILE 40 6.490 -13.743 1.311 283 3HD1 ILE 40 3HD1 ILE 40 7.758 -13.028 0.243 284 H GLY 41 H GLY 41 6.910 -9.133 -1.028 285 1HA GLY 41 2HA GLY 41 7.798 -8.714 -3.053 286 2HA GLY 41 1HA GLY 41 6.245 -9.111 -3.866 287 H GLU 42 H GLU 42 7.687 -6.784 -4.563 288 HA GLU 42 HA GLU 42 7.101 -4.573 -3.068 289 1HB GLU 42 2HB GLU 42 7.501 -4.694 -6.105 290 2HB GLU 42 1HB GLU 42 7.804 -3.312 -5.018 291 1HG GLU 42 2HG GLU 42 9.949 -4.002 -5.164 292 2HG GLU 42 1HG GLU 42 9.486 -5.108 -3.826 293 H ARG 43 H ARG 43 5.127 -6.294 -5.221 294 HA ARG 43 HA ARG 43 3.028 -4.227 -5.282 295 1HB ARG 43 2HB ARG 43 2.272 -5.671 -7.302 296 2HB ARG 43 1HB ARG 43 3.742 -4.696 -7.508 297 1HG ARG 43 2HG ARG 43 5.220 -6.536 -7.270 298 2HG ARG 43 1HG ARG 43 3.952 -7.623 -6.606 299 1HD ARG 43 2HD ARG 43 2.822 -7.718 -8.804 300 2HD ARG 43 1HD ARG 43 4.041 -6.572 -9.508 301 HE ARG 43 HE ARG 43 5.663 -8.480 -8.391 302 1HH1 ARG 43 1HH1 ARG 43 3.140 -8.480 -10.924 303 2HH1 ARG 43 2HH1 ARG 43 3.860 -9.807 -11.769 304 1HH2 ARG 43 1HH2 ARG 43 6.437 -10.387 -9.433 305 2HH2 ARG 43 2HH2 ARG 43 5.883 -10.742 -11.025 306 H CYS 44 H CYS 44 3.729 -6.521 -3.235 307 HA CYS 44 HA CYS 44 2.723 -8.081 -2.100 308 1HB CYS 44 2HB CYS 44 0.455 -6.093 -2.398 309 2HB CYS 44 1HB CYS 44 0.519 -7.385 -1.157 310 H GLN 45 H GLN 45 2.976 -9.434 -4.065 311 HA GLN 45 HA GLN 45 0.432 -10.111 -5.374 312 1HB GLN 45 2HB GLN 45 2.513 -9.057 -6.534 313 2HB GLN 45 1HB GLN 45 3.343 -10.585 -6.229 314 1HG GLN 45 2HG GLN 45 2.682 -10.696 -8.462 315 2HG GLN 45 1HG GLN 45 1.525 -11.786 -7.630 316 1HE2 GLN 45 1HE2 GLN 45 0.964 -8.450 -7.039 317 2HE2 GLN 45 2HE2 GLN 45 -0.303 -8.180 -8.234 318 H TYR 46 H TYR 46 3.162 -11.453 -3.615 319 HA TYR 46 HA TYR 46 2.491 -14.180 -4.418 320 1HB TYR 46 2HB TYR 46 4.986 -13.102 -2.983 321 2HB TYR 46 1HB TYR 46 4.772 -14.744 -3.666 322 HD1 TYR 46 1HD TYR 46 5.580 -15.132 -5.797 323 HD2 TYR 46 2HD TYR 46 4.910 -11.114 -4.592 324 HE1 TYR 46 1HE TYR 46 6.802 -14.334 -7.756 325 HE2 TYR 46 2HE TYR 46 6.038 -10.307 -6.555 326 HH TYR 46 HH TYR 46 7.676 -12.493 -8.838 327 H ARG 47 H ARG 47 2.605 -15.828 -2.609 328 HA ARG 47 HA ARG 47 1.529 -14.596 -0.161 329 1HB ARG 47 2HB ARG 47 1.293 -17.369 -1.352 330 2HB ARG 47 1HB ARG 47 0.809 -16.994 0.335 331 1HG ARG 47 2HG ARG 47 -0.728 -15.250 -0.428 332 2HG ARG 47 1HG ARG 47 -0.321 -15.559 -2.140 333 1HD ARG 47 2HD ARG 47 -1.531 -17.694 -0.252 334 2HD ARG 47 1HD ARG 47 -2.537 -16.613 -1.281 335 HE ARG 47 HE ARG 47 -0.793 -18.841 -2.189 336 1HH1 ARG 47 1HH1 ARG 47 -2.905 -16.116 -3.254 337 2HH1 ARG 47 2HH1 ARG 47 -2.576 -16.470 -4.929 338 1HH2 ARG 47 1HH2 ARG 47 -0.658 -19.326 -4.417 339 2HH2 ARG 47 2HH2 ARG 47 -1.779 -18.554 -5.503 340 H ASP 48 H ASP 48 2.262 -15.000 1.866 341 HA ASP 48 HA ASP 48 4.889 -16.158 2.159 342 1HB ASP 48 2HB ASP 48 4.193 -14.120 3.422 343 2HB ASP 48 1HB ASP 48 2.859 -15.058 4.176 344 H LEU 49 H LEU 49 4.568 -18.325 1.470 345 HA LEU 49 HA LEU 49 2.458 -19.915 2.244 346 1HB LEU 49 2HB LEU 49 5.258 -20.461 1.190 347 2HB LEU 49 1HB LEU 49 4.219 -21.816 1.705 348 HG LEU 49 HG LEU 49 2.427 -21.079 0.144 349 1HD1 LEU 49 1HD1 LEU 49 3.036 -18.714 -0.314 350 2HD1 LEU 49 2HD1 LEU 49 3.088 -19.671 -1.834 351 3HD1 LEU 49 3HD1 LEU 49 4.624 -19.235 -1.008 352 1HD2 LEU 49 1HD2 LEU 49 3.543 -22.094 -1.824 353 2HD2 LEU 49 2HD2 LEU 49 4.015 -22.955 -0.311 354 3HD2 LEU 49 3HD2 LEU 49 5.158 -21.793 -1.087 355 H LYS 50 H LYS 50 5.124 -18.941 4.167 356 HA LYS 50 HA LYS 50 5.482 -21.338 5.560 357 1HB LYS 50 2HB LYS 50 6.251 -18.572 6.552 358 2HB LYS 50 1HB LYS 50 7.021 -20.139 6.943 359 1HG LYS 50 2HG LYS 50 7.082 -18.582 4.315 360 2HG LYS 50 1HG LYS 50 8.422 -18.783 5.456 361 1HD LYS 50 2HD LYS 50 7.161 -21.168 3.953 362 2HD LYS 50 1HD LYS 50 8.389 -20.093 3.244 363 1HE LYS 50 2HE LYS 50 9.594 -21.964 3.970 364 2HE LYS 50 1HE LYS 50 9.986 -20.671 5.168 365 1HZ LYS 50 1HZ LYS 50 8.656 -21.710 6.755 366 2HZ LYS 50 2HZ LYS 50 9.440 -22.987 5.996 367 3HZ LYS 50 3HZ LYS 50 7.835 -22.679 5.607 368 H TRP 51 H TRP 51 3.252 -18.660 6.135 369 HA TRP 51 HA TRP 51 2.656 -19.680 8.759 370 1HB TRP 51 2HB TRP 51 1.143 -17.980 9.075 371 2HB TRP 51 1HB TRP 51 2.520 -17.256 8.190 372 HD1 TRP 51 HD TRP 51 1.890 -16.131 5.801 373 HE1 TRP 51 1HE TRP 51 -0.366 -15.746 4.587 374 HE3 TRP 51 3HE TRP 51 -1.153 -18.857 8.806 375 HZ2 TRP 51 2HZ TRP 51 -3.073 -16.182 5.100 376 HZ3 TRP 51 3HZ TRP 51 -3.557 -18.844 8.392 377 HH2 TRP 51 HH TRP 51 -4.514 -17.537 6.563 378 H TRP 52 H TRP 52 1.292 -19.944 5.546 379 HA TRP 52 HA TRP 52 -1.105 -21.174 6.237 380 1HB TRP 52 2HB TRP 52 0.624 -21.361 3.710 381 2HB TRP 52 1HB TRP 52 -0.997 -22.118 3.849 382 HD1 TRP 52 HD TRP 52 0.566 -18.670 3.218 383 HE1 TRP 52 1HE TRP 52 -1.338 -17.058 2.676 384 HE3 TRP 52 3HE TRP 52 -3.364 -21.699 4.284 385 HZ2 TRP 52 2HZ TRP 52 -4.155 -17.201 2.345 386 HZ3 TRP 52 3HZ TRP 52 -5.629 -20.917 3.792 387 HH2 TRP 52 HH TRP 52 -6.022 -18.705 2.855 388 H GLU 53 H GLU 53 1.911 -22.740 5.103 389 HA GLU 53 HA GLU 53 0.664 -25.308 5.625 390 1HB GLU 53 2HB GLU 53 1.947 -24.514 3.470 391 2HB GLU 53 1HB GLU 53 3.401 -24.890 4.417 392 1HG GLU 53 2HG GLU 53 2.999 -26.882 3.239 393 2HG GLU 53 1HG GLU 53 2.249 -27.275 4.818 394 H LEU 54 H LEU 54 1.114 -24.015 7.982 395 HA LEU 54 HA LEU 54 3.499 -25.244 9.136 396 1HB LEU 54 2HB LEU 54 2.814 -22.733 9.217 397 2HB LEU 54 1HB LEU 54 1.632 -23.222 10.455 398 HG LEU 54 HG LEU 54 4.641 -23.884 10.584 399 1HD1 LEU 54 1HD1 LEU 54 3.249 -21.403 11.770 400 2HD1 LEU 54 2HD1 LEU 54 4.303 -21.409 10.310 401 3HD1 LEU 54 3HD1 LEU 54 4.995 -21.851 11.915 402 1HD2 LEU 54 1HD2 LEU 54 2.487 -23.645 12.791 403 2HD2 LEU 54 2HD2 LEU 54 4.231 -23.974 13.081 404 3HD2 LEU 54 3HD2 LEU 54 3.211 -25.180 12.196 Start of MODEL 17 1 1H VAL 1 1HT VAL 1 8.434 19.915 6.175 2 2H VAL 1 2HT VAL 1 7.239 18.728 5.944 3 3H VAL 1 3HT VAL 1 7.382 19.451 7.416 4 HA VAL 1 HA VAL 1 6.836 21.609 6.366 5 HB VAL 1 HB VAL 1 5.719 21.635 4.233 6 1HG1 VAL 1 1HG1 VAL 1 8.471 20.249 3.996 7 2HG1 VAL 1 2HG1 VAL 1 8.209 21.999 4.356 8 3HG1 VAL 1 3HG1 VAL 1 7.663 21.301 2.793 9 1HG2 VAL 1 1HG2 VAL 1 5.683 19.725 2.714 10 2HG2 VAL 1 2HG2 VAL 1 4.802 19.257 4.204 11 3HG2 VAL 1 3HG2 VAL 1 6.478 18.657 3.910 12 H VAL 2 H VAL 2 4.683 22.444 6.658 13 HA VAL 2 HA VAL 2 2.937 20.428 7.812 14 HB VAL 2 HB VAL 2 3.420 22.156 9.268 15 1HG1 VAL 2 1HG1 VAL 2 3.861 24.061 7.737 16 2HG1 VAL 2 2HG1 VAL 2 2.608 24.465 8.955 17 3HG1 VAL 2 3HG1 VAL 2 2.116 24.110 7.265 18 1HG2 VAL 2 1HG2 VAL 2 0.499 22.234 8.269 19 2HG2 VAL 2 2HG2 VAL 2 1.094 22.658 9.910 20 3HG2 VAL 2 3HG2 VAL 2 1.225 20.963 9.326 21 H SER 3 H SER 3 1.768 19.393 6.402 22 HA SER 3 HA SER 3 0.193 20.993 4.503 23 1HB SER 3 2HB SER 3 1.973 19.462 3.440 24 2HB SER 3 1HB SER 3 1.052 18.081 4.095 25 HG SER 3 HG SER 3 0.385 18.509 2.035 26 H HIS 4 H HIS 4 -1.814 19.696 3.869 27 HA HIS 4 HA HIS 4 -3.016 18.568 6.310 28 1HB HIS 4 2HB HIS 4 -3.973 20.649 4.778 29 2HB HIS 4 1HB HIS 4 -4.786 19.290 3.981 30 HD1 HIS 4 1HD HIS 4 -4.222 20.778 7.426 31 HD2 HIS 4 2HD HIS 4 -7.220 18.778 5.311 32 HE1 HIS 4 1HE HIS 4 -6.223 20.641 8.963 33 HE2 HIS 4 2HE HIS 4 -8.040 19.556 7.636 34 H PHE 5 H PHE 5 -4.248 16.576 6.055 35 HA PHE 5 HA PHE 5 -2.857 14.890 4.153 36 1HB PHE 5 2HB PHE 5 -2.748 14.310 6.531 37 2HB PHE 5 1HB PHE 5 -4.530 14.389 6.660 38 HD1 PHE 5 1HD PHE 5 -5.862 12.602 6.072 39 HD2 PHE 5 2HD PHE 5 -1.696 12.403 5.226 40 HE1 PHE 5 1HE PHE 5 -6.056 10.196 5.668 41 HE2 PHE 5 2HE PHE 5 -1.894 10.015 4.828 42 HZ PHE 5 HZ PHE 5 -4.059 8.891 5.061 43 H ASN 6 H ASN 6 -3.787 13.807 2.523 44 HA ASN 6 HA ASN 6 -6.670 13.717 2.302 45 1HB ASN 6 2HB ASN 6 -4.764 14.719 0.085 46 2HB ASN 6 1HB ASN 6 -6.497 14.305 -0.180 47 1HD2 ASN 6 1HD2 ASN 6 -8.059 15.489 1.426 48 2HD2 ASN 6 2HD2 ASN 6 -7.709 17.171 1.713 49 H ASP 7 H ASP 7 -7.126 12.181 0.327 50 HA ASP 7 HA ASP 7 -5.529 9.851 0.923 51 1HB ASP 7 2HB ASP 7 -8.066 10.039 1.122 52 2HB ASP 7 1HB ASP 7 -8.128 10.114 -0.676 53 H CYS 8 H CYS 8 -5.434 8.260 -0.917 54 HA CYS 8 HA CYS 8 -3.682 9.285 -2.878 55 1HB CYS 8 2HB CYS 8 -3.453 7.125 -1.683 56 2HB CYS 8 1HB CYS 8 -4.915 6.514 -2.484 57 HA PRO 9 HA PRO 9 -6.687 9.823 -6.054 58 1HB PRO 9 2HB PRO 9 -4.514 8.567 -7.831 59 2HB PRO 9 1HB PRO 9 -5.574 9.980 -8.226 60 1HG PRO 9 2HG PRO 9 -3.029 10.416 -7.339 61 2HG PRO 9 1HG PRO 9 -4.384 11.378 -6.602 62 1HD PRO 9 2HD PRO 9 -2.982 8.911 -5.458 63 2HD PRO 9 1HD PRO 9 -3.544 10.439 -4.630 64 H LEU 10 H LEU 10 -7.724 8.802 -8.017 65 HA LEU 10 HA LEU 10 -9.162 6.676 -7.357 66 1HB LEU 10 2HB LEU 10 -8.331 7.699 -10.117 67 2HB LEU 10 1HB LEU 10 -9.672 6.538 -9.880 68 HG LEU 10 HG LEU 10 -9.641 9.297 -8.555 69 1HD1 LEU 10 1HD1 LEU 10 -10.916 8.454 -11.234 70 2HD1 LEU 10 2HD1 LEU 10 -9.517 9.577 -11.029 71 3HD1 LEU 10 3HD1 LEU 10 -11.141 10.034 -10.395 72 1HD2 LEU 10 1HD2 LEU 10 -11.192 7.590 -7.532 73 2HD2 LEU 10 2HD2 LEU 10 -11.920 7.294 -9.154 74 3HD2 LEU 10 3HD2 LEU 10 -12.093 8.906 -8.367 75 H SER 11 H SER 11 -6.172 6.467 -9.253 76 HA SER 11 HA SER 11 -6.394 3.562 -9.365 77 1HB SER 11 2HB SER 11 -4.181 5.459 -10.305 78 2HB SER 11 1HB SER 11 -4.157 3.670 -10.496 79 HG SER 11 HG SER 11 -4.888 4.809 -12.328 80 H HIS 12 H HIS 12 -6.448 3.473 -6.881 81 HA HIS 12 HA HIS 12 -4.091 4.418 -5.609 82 1HB HIS 12 2HB HIS 12 -5.083 4.190 -3.641 83 2HB HIS 12 1HB HIS 12 -6.545 4.218 -4.648 84 HD1 HIS 12 1HD HIS 12 -8.072 2.226 -4.265 85 HD2 HIS 12 2HD HIS 12 -4.253 1.563 -2.681 86 HE1 HIS 12 1HE HIS 12 -8.162 0.030 -2.999 87 HE2 HIS 12 2HE HIS 12 -5.914 -0.252 -1.943 88 H ASP 13 H ASP 13 -5.304 1.214 -6.560 89 HA ASP 13 HA ASP 13 -2.796 0.031 -5.676 90 1HB ASP 13 2HB ASP 13 -3.916 -2.013 -5.568 91 2HB ASP 13 1HB ASP 13 -5.069 -0.815 -4.911 92 H GLY 14 H GLY 14 -2.720 1.801 -7.851 93 1HA GLY 14 2HA GLY 14 -2.959 0.508 -10.329 94 2HA GLY 14 1HA GLY 14 -2.098 2.032 -9.945 95 H TYR 15 H TYR 15 0.066 1.727 -8.845 96 HA TYR 15 HA TYR 15 1.581 -0.211 -10.376 97 1HB TYR 15 2HB TYR 15 2.253 2.219 -10.211 98 2HB TYR 15 1HB TYR 15 2.488 1.995 -8.446 99 HD1 TYR 15 1HD TYR 15 3.469 0.244 -11.639 100 HD2 TYR 15 2HD TYR 15 4.679 1.769 -7.862 101 HE1 TYR 15 1HE TYR 15 5.754 -0.462 -12.096 102 HE2 TYR 15 2HE TYR 15 6.981 1.089 -8.325 103 HH TYR 15 HH TYR 15 7.858 -0.669 -11.277 104 H CYS 16 H CYS 16 0.377 0.361 -7.164 105 HA CYS 16 HA CYS 16 2.149 -1.527 -5.930 106 1HB CYS 16 2HB CYS 16 -0.244 -0.008 -4.779 107 2HB CYS 16 1HB CYS 16 1.031 -0.875 -3.849 108 H LEU 17 H LEU 17 1.792 -3.643 -5.845 109 HA LEU 17 HA LEU 17 -0.627 -4.601 -7.009 110 1HB LEU 17 2HB LEU 17 2.121 -5.624 -6.431 111 2HB LEU 17 1HB LEU 17 0.853 -6.862 -6.483 112 HG LEU 17 HG LEU 17 2.059 -6.550 -8.618 113 1HD1 LEU 17 1HD1 LEU 17 -0.148 -7.655 -8.504 114 2HD1 LEU 17 2HD1 LEU 17 0.070 -6.770 -10.049 115 3HD1 LEU 17 3HD1 LEU 17 -0.982 -6.071 -8.768 116 1HD2 LEU 17 1HD2 LEU 17 0.486 -3.911 -8.920 117 2HD2 LEU 17 2HD2 LEU 17 1.589 -4.685 -10.121 118 3HD2 LEU 17 3HD2 LEU 17 2.247 -4.034 -8.568 119 H HIS 18 H HIS 18 -1.757 -6.445 -6.360 120 HA HIS 18 HA HIS 18 -2.968 -7.647 -5.127 121 1HB HIS 18 2HB HIS 18 -0.483 -8.233 -4.297 122 2HB HIS 18 1HB HIS 18 -1.141 -7.728 -2.727 123 HD1 HIS 18 1HD HIS 18 -0.592 -10.633 -4.523 124 HD2 HIS 18 2HD HIS 18 -4.122 -9.155 -2.832 125 HE1 HIS 18 1HE HIS 18 -2.202 -12.584 -4.371 126 HE2 HIS 18 2HE HIS 18 -4.333 -11.648 -3.398 127 H ASP 19 H ASP 19 -3.570 -4.952 -5.018 128 HA ASP 19 HA ASP 19 -4.771 -3.458 -4.015 129 1HB ASP 19 2HB ASP 19 -5.551 -5.685 -2.083 130 2HB ASP 19 1HB ASP 19 -6.148 -4.006 -1.926 131 H GLY 20 H GLY 20 -2.441 -2.721 -3.841 132 1HA GLY 20 2HA GLY 20 -1.311 -2.698 -1.263 133 2HA GLY 20 1HA GLY 20 -0.822 -1.763 -2.710 134 H VAL 21 H VAL 21 -1.031 -1.108 0.285 135 HA VAL 21 HA VAL 21 -3.232 0.698 0.381 136 HB VAL 21 HB VAL 21 -1.121 0.155 2.473 137 1HG1 VAL 21 1HG1 VAL 21 -3.989 1.339 2.556 138 2HG1 VAL 21 2HG1 VAL 21 -2.464 2.257 2.847 139 3HG1 VAL 21 3HG1 VAL 21 -2.967 0.959 3.985 140 1HG2 VAL 21 1HG2 VAL 21 -2.893 -1.388 3.413 141 2HG2 VAL 21 2HG2 VAL 21 -2.195 -1.994 1.877 142 3HG2 VAL 21 3HG2 VAL 21 -3.826 -1.217 1.884 143 H CYS 22 H CYS 22 -2.711 2.247 -1.135 144 HA CYS 22 HA CYS 22 -0.321 3.778 -1.026 145 1HB CYS 22 2HB CYS 22 -1.622 3.419 -3.097 146 2HB CYS 22 1HB CYS 22 -3.034 4.215 -2.357 147 H MET 23 H MET 23 0.197 5.483 0.259 148 HA MET 23 HA MET 23 -1.990 7.142 1.231 149 1HB MET 23 2HB MET 23 0.295 6.202 3.026 150 2HB MET 23 1HB MET 23 -1.004 7.362 3.456 151 1HG MET 23 2HG MET 23 -2.701 5.546 3.075 152 2HG MET 23 1HG MET 23 -1.372 4.385 2.805 153 1HE MET 23 1HE MET 23 0.110 3.378 4.417 154 2HE MET 23 2HE MET 23 0.320 3.821 6.144 155 3HE MET 23 3HE MET 23 0.865 4.949 4.864 156 H TYR 24 H TYR 24 -1.427 9.214 1.800 157 HA TYR 24 HA TYR 24 1.001 10.282 0.601 158 1HB TYR 24 2HB TYR 24 -1.104 11.340 -0.059 159 2HB TYR 24 1HB TYR 24 -1.631 11.449 1.657 160 HD1 TYR 24 1HD TYR 24 1.186 12.631 -0.553 161 HD2 TYR 24 2HD TYR 24 -1.557 13.418 2.596 162 HE1 TYR 24 1HE TYR 24 1.906 14.954 -0.521 163 HE2 TYR 24 2HE TYR 24 -0.873 15.748 2.627 164 HH TYR 24 HH TYR 24 1.693 17.001 0.505 165 H ILE 25 H ILE 25 2.602 11.365 1.833 166 HA ILE 25 HA ILE 25 2.306 11.215 4.741 167 HB ILE 25 HB ILE 25 4.770 11.314 2.960 168 1HG1 ILE 25 2HG1 ILE 25 5.206 9.173 4.473 169 2HG1 ILE 25 1HG1 ILE 25 3.428 9.102 4.583 170 1HG2 ILE 25 1HG2 ILE 25 5.976 11.143 5.174 171 2HG2 ILE 25 2HG2 ILE 25 4.400 11.353 6.030 172 3HG2 ILE 25 3HG2 ILE 25 5.075 12.683 5.005 173 1HD1 ILE 25 1HD1 ILE 25 4.406 7.662 2.745 174 2HD1 ILE 25 2HD1 ILE 25 5.069 9.133 1.945 175 3HD1 ILE 25 3HD1 ILE 25 3.291 8.893 2.073 176 H GLU 26 H GLU 26 1.534 13.158 5.428 177 HA GLU 26 HA GLU 26 1.545 15.365 3.720 178 1HB GLU 26 2HB GLU 26 0.026 16.280 5.145 179 2HB GLU 26 1HB GLU 26 -0.236 14.546 5.417 180 1HG GLU 26 2HG GLU 26 1.262 16.527 7.239 181 2HG GLU 26 1HG GLU 26 -0.366 15.845 7.495 182 H ALA 27 H ALA 27 3.383 14.487 6.555 183 HA ALA 27 HA ALA 27 4.584 16.900 7.063 184 1HB ALA 27 1HB ALA 27 5.689 14.057 7.494 185 2HB ALA 27 2HB ALA 27 4.557 14.919 8.591 186 3HB ALA 27 3HB ALA 27 6.228 15.544 8.360 187 H LEU 28 H LEU 28 5.508 14.504 4.656 188 HA LEU 28 HA LEU 28 7.932 16.101 4.070 189 1HB LEU 28 2HB LEU 28 7.384 13.152 3.493 190 2HB LEU 28 1HB LEU 28 8.914 14.046 3.215 191 HG LEU 28 HG LEU 28 7.620 13.443 5.933 192 1HD1 LEU 28 1HD1 LEU 28 10.178 12.350 4.616 193 2HD1 LEU 28 2HD1 LEU 28 8.623 11.453 4.826 194 3HD1 LEU 28 3HD1 LEU 28 9.575 11.961 6.274 195 1HD2 LEU 28 1HD2 LEU 28 8.801 15.616 6.096 196 2HD2 LEU 28 2HD2 LEU 28 10.255 14.912 5.297 197 3HD2 LEU 28 3HD2 LEU 28 9.742 14.337 6.928 198 H ASP 29 H ASP 29 4.866 15.498 2.896 199 HA ASP 29 HA ASP 29 3.838 15.772 1.076 200 1HB ASP 29 2HB ASP 29 5.074 17.975 1.337 201 2HB ASP 29 1HB ASP 29 6.185 17.438 0.035 202 H LYS 30 H LYS 30 5.076 13.402 1.289 203 HA LYS 30 HA LYS 30 5.774 12.683 -1.474 204 1HB LYS 30 2HB LYS 30 6.639 11.277 1.113 205 2HB LYS 30 1HB LYS 30 7.113 10.818 -0.548 206 1HG LYS 30 2HG LYS 30 7.975 13.303 1.003 207 2HG LYS 30 1HG LYS 30 8.964 11.883 0.540 208 1HD LYS 30 2HD LYS 30 8.564 12.483 -1.905 209 2HD LYS 30 1HD LYS 30 7.663 13.929 -1.332 210 1HE LYS 30 2HE LYS 30 9.759 14.736 -0.127 211 2HE LYS 30 1HE LYS 30 10.673 13.371 -0.889 212 1HZ LYS 30 1HZ LYS 30 10.897 15.349 -2.212 213 2HZ LYS 30 2HZ LYS 30 9.211 15.559 -2.283 214 3HZ LYS 30 3HZ LYS 30 9.911 14.274 -3.073 215 H TYR 31 H TYR 31 5.458 10.280 -1.846 216 HA TYR 31 HA TYR 31 2.910 9.400 -0.668 217 1HB TYR 31 2HB TYR 31 3.916 9.426 -3.566 218 2HB TYR 31 1HB TYR 31 2.795 8.127 -3.039 219 HD1 TYR 31 1HD TYR 31 0.617 8.572 -2.322 220 HD2 TYR 31 2HD TYR 31 3.114 11.738 -3.614 221 HE1 TYR 31 1HE TYR 31 -1.369 10.033 -2.570 222 HE2 TYR 31 2HE TYR 31 1.157 13.202 -3.857 223 HH TYR 31 HH TYR 31 -1.015 13.448 -3.278 224 H ALA 32 H ALA 32 2.642 7.122 -0.458 225 HA ALA 32 HA ALA 32 4.814 5.496 -1.345 226 1HB ALA 32 1HB ALA 32 5.240 4.417 0.909 227 2HB ALA 32 2HB ALA 32 4.039 5.540 1.652 228 3HB ALA 32 3HB ALA 32 5.585 6.176 0.993 229 H CYS 33 H CYS 33 4.340 3.116 -0.805 230 HA CYS 33 HA CYS 33 1.500 2.640 -0.278 231 1HB CYS 33 2HB CYS 33 3.322 1.150 -2.233 232 2HB CYS 33 1HB CYS 33 1.822 0.433 -1.577 233 H ASN 34 H ASN 34 1.136 1.351 1.406 234 HA ASN 34 HA ASN 34 3.436 -0.001 2.603 235 1HB ASN 34 2HB ASN 34 1.923 1.711 3.886 236 2HB ASN 34 1HB ASN 34 0.684 0.412 3.901 237 1HD2 ASN 34 1HD2 ASN 34 0.803 -0.636 5.920 238 2HD2 ASN 34 2HD2 ASN 34 2.290 -1.102 6.698 239 H CYS 35 H CYS 35 3.374 -2.252 2.966 240 HA CYS 35 HA CYS 35 1.379 -3.596 1.288 241 1HB CYS 35 2HB CYS 35 4.086 -4.571 2.317 242 2HB CYS 35 1HB CYS 35 2.962 -5.492 1.269 243 H VAL 36 H VAL 36 0.431 -5.561 1.986 244 HA VAL 36 HA VAL 36 -0.128 -5.599 4.798 245 HB VAL 36 HB VAL 36 -1.134 -7.323 2.537 246 1HG1 VAL 36 1HG1 VAL 36 -2.203 -6.943 5.414 247 2HG1 VAL 36 2HG1 VAL 36 -1.637 -8.485 4.640 248 3HG1 VAL 36 3HG1 VAL 36 -3.120 -7.681 4.060 249 1HG2 VAL 36 1HG2 VAL 36 -3.144 -5.806 2.665 250 2HG2 VAL 36 2HG2 VAL 36 -1.690 -4.876 2.200 251 3HG2 VAL 36 3HG2 VAL 36 -2.309 -4.792 3.891 252 H VAL 37 H VAL 37 -0.115 -7.648 5.990 253 HA VAL 37 HA VAL 37 2.511 -8.717 5.900 254 HB VAL 37 HB VAL 37 1.502 -7.991 7.943 255 1HG1 VAL 37 1HG1 VAL 37 -0.893 -8.615 7.513 256 2HG1 VAL 37 2HG1 VAL 37 -0.277 -9.301 9.054 257 3HG1 VAL 37 3HG1 VAL 37 -0.454 -10.361 7.617 258 1HG2 VAL 37 1HG2 VAL 37 2.187 -9.889 9.327 259 2HG2 VAL 37 2HG2 VAL 37 3.317 -9.719 7.940 260 3HG2 VAL 37 3HG2 VAL 37 2.064 -11.027 7.940 261 H GLY 38 H GLY 38 3.220 -10.716 5.428 262 1HA GLY 38 2HA GLY 38 3.197 -12.804 4.726 263 2HA GLY 38 1HA GLY 38 1.403 -12.803 4.677 264 H TYR 39 H TYR 39 2.989 -10.215 3.065 265 HA TYR 39 HA TYR 39 2.664 -11.568 0.479 266 1HB TYR 39 2HB TYR 39 2.055 -8.642 1.199 267 2HB TYR 39 1HB TYR 39 2.142 -9.284 -0.488 268 HD1 TYR 39 1HD TYR 39 0.359 -9.570 2.740 269 HD2 TYR 39 2HD TYR 39 0.368 -10.542 -1.387 270 HE1 TYR 39 1HE TYR 39 -1.908 -10.409 2.954 271 HE2 TYR 39 2HE TYR 39 -1.956 -11.319 -1.203 272 HH TYR 39 HH TYR 39 -3.725 -11.079 1.858 273 H ILE 40 H ILE 40 4.254 -11.368 -0.976 274 HA ILE 40 HA ILE 40 6.744 -10.193 0.017 275 HB ILE 40 HB ILE 40 7.863 -12.312 -0.787 276 1HG1 ILE 40 2HG1 ILE 40 4.992 -13.406 -0.552 277 2HG1 ILE 40 1HG1 ILE 40 5.869 -13.125 -2.097 278 1HG2 ILE 40 1HG2 ILE 40 7.511 -13.400 1.375 279 2HG2 ILE 40 2HG2 ILE 40 5.982 -12.492 1.641 280 3HG2 ILE 40 3HG2 ILE 40 7.566 -11.621 1.601 281 1HD1 ILE 40 1HD1 ILE 40 6.731 -15.074 0.146 282 2HD1 ILE 40 2HD1 ILE 40 7.650 -14.753 -1.372 283 3HD1 ILE 40 3HD1 ILE 40 6.012 -15.502 -1.443 284 H GLY 41 H GLY 41 8.483 -10.237 -1.534 285 1HA GLY 41 2HA GLY 41 9.250 -9.918 -3.679 286 2HA GLY 41 1HA GLY 41 7.575 -9.568 -4.245 287 H GLU 42 H GLU 42 9.904 -7.784 -4.629 288 HA GLU 42 HA GLU 42 9.946 -5.839 -2.668 289 1HB GLU 42 2HB GLU 42 11.069 -4.435 -4.334 290 2HB GLU 42 1HB GLU 42 11.768 -6.056 -4.179 291 1HG GLU 42 2HG GLU 42 9.830 -5.278 -6.456 292 2HG GLU 42 1HG GLU 42 11.604 -5.090 -6.533 293 H ARG 43 H ARG 43 7.842 -6.300 -5.350 294 HA ARG 43 HA ARG 43 6.414 -3.779 -4.989 295 1HB ARG 43 2HB ARG 43 7.160 -4.348 -7.169 296 2HB ARG 43 1HB ARG 43 6.601 -6.040 -7.018 297 1HG ARG 43 2HG ARG 43 4.347 -5.478 -7.343 298 2HG ARG 43 1HG ARG 43 4.587 -3.740 -6.992 299 1HD ARG 43 2HD ARG 43 4.201 -4.319 -9.449 300 2HD ARG 43 1HD ARG 43 5.672 -3.308 -9.104 301 HE ARG 43 HE ARG 43 6.748 -5.845 -9.052 302 1HH1 ARG 43 1HH1 ARG 43 4.809 -4.136 -11.595 303 2HH1 ARG 43 2HH1 ARG 43 5.730 -4.993 -12.822 304 1HH2 ARG 43 1HH2 ARG 43 7.764 -6.806 -10.694 305 2HH2 ARG 43 2HH2 ARG 43 7.354 -6.429 -12.362 306 H CYS 44 H CYS 44 6.358 -6.666 -3.434 307 HA CYS 44 HA CYS 44 4.953 -7.808 -2.290 308 1HB CYS 44 2HB CYS 44 3.209 -5.329 -2.302 309 2HB CYS 44 1HB CYS 44 3.138 -6.664 -1.117 310 H GLN 45 H GLN 45 4.701 -8.347 -4.998 311 HA GLN 45 HA GLN 45 2.068 -8.464 -5.855 312 1HB GLN 45 2HB GLN 45 4.365 -10.346 -6.590 313 2HB GLN 45 1HB GLN 45 2.917 -9.980 -7.585 314 1HG GLN 45 2HG GLN 45 3.713 -7.700 -8.021 315 2HG GLN 45 1HG GLN 45 5.064 -7.884 -6.841 316 1HE2 GLN 45 1HE2 GLN 45 3.741 -9.448 -9.842 317 2HE2 GLN 45 2HE2 GLN 45 5.315 -9.845 -10.479 318 H TYR 46 H TYR 46 4.017 -10.991 -4.190 319 HA TYR 46 HA TYR 46 1.876 -12.877 -4.788 320 1HB TYR 46 2HB TYR 46 4.660 -13.506 -3.697 321 2HB TYR 46 1HB TYR 46 3.508 -14.626 -4.499 322 HD1 TYR 46 1HD TYR 46 2.863 -14.006 -6.933 323 HD2 TYR 46 2HD TYR 46 6.292 -12.506 -4.923 324 HE1 TYR 46 1HE TYR 46 3.903 -13.516 -9.085 325 HE2 TYR 46 2HE TYR 46 7.339 -11.998 -7.066 326 HH TYR 46 HH TYR 46 5.680 -12.728 -10.144 327 H ARG 47 H ARG 47 1.306 -14.515 -3.223 328 HA ARG 47 HA ARG 47 1.382 -13.597 -0.446 329 1HB ARG 47 2HB ARG 47 -0.119 -15.749 -2.005 330 2HB ARG 47 1HB ARG 47 -0.041 -15.815 -0.226 331 1HG ARG 47 2HG ARG 47 -1.082 -13.630 0.001 332 2HG ARG 47 1HG ARG 47 -1.225 -13.469 -1.790 333 1HD ARG 47 2HD ARG 47 -2.745 -15.403 -1.895 334 2HD ARG 47 1HD ARG 47 -2.480 -15.770 -0.140 335 HE ARG 47 HE ARG 47 -3.420 -13.148 -0.087 336 1HH1 ARG 47 1HH1 ARG 47 -4.707 -16.313 -1.286 337 2HH1 ARG 47 2HH1 ARG 47 -6.280 -15.920 -0.638 338 1HH2 ARG 47 1HH2 ARG 47 -5.662 -12.741 0.514 339 2HH2 ARG 47 2HH2 ARG 47 -6.802 -14.001 0.188 340 H ASP 48 H ASP 48 2.565 -14.602 1.118 341 HA ASP 48 HA ASP 48 4.172 -16.893 0.481 342 1HB ASP 48 2HB ASP 48 4.947 -15.107 2.039 343 2HB ASP 48 1HB ASP 48 3.583 -15.498 3.157 344 H LEU 49 H LEU 49 3.419 -18.926 0.486 345 HA LEU 49 HA LEU 49 0.657 -19.273 0.979 346 1HB LEU 49 2HB LEU 49 2.882 -20.776 -0.316 347 2HB LEU 49 1HB LEU 49 1.575 -21.791 0.333 348 HG LEU 49 HG LEU 49 -0.122 -20.534 -0.916 349 1HD1 LEU 49 1HD1 LEU 49 0.522 -19.063 -2.818 350 2HD1 LEU 49 2HD1 LEU 49 2.246 -19.102 -2.276 351 3HD1 LEU 49 3HD1 LEU 49 0.982 -18.317 -1.243 352 1HD2 LEU 49 1HD2 LEU 49 2.175 -21.683 -2.620 353 2HD2 LEU 49 2HD2 LEU 49 0.452 -21.517 -3.132 354 3HD2 LEU 49 3HD2 LEU 49 0.889 -22.635 -1.787 355 H LYS 50 H LYS 50 3.485 -20.263 2.812 356 HA LYS 50 HA LYS 50 2.516 -22.614 3.737 357 1HB LYS 50 2HB LYS 50 4.561 -20.793 5.088 358 2HB LYS 50 1HB LYS 50 4.244 -22.491 5.520 359 1HG LYS 50 2HG LYS 50 5.968 -22.927 4.161 360 2HG LYS 50 1HG LYS 50 4.671 -22.971 2.939 361 1HD LYS 50 2HD LYS 50 6.431 -21.729 1.974 362 2HD LYS 50 1HD LYS 50 5.249 -20.474 2.458 363 1HE LYS 50 2HE LYS 50 6.660 -20.034 4.558 364 2HE LYS 50 1HE LYS 50 7.841 -21.269 3.961 365 1HZ LYS 50 1HZ LYS 50 7.065 -18.720 2.653 366 2HZ LYS 50 2HZ LYS 50 7.993 -19.905 1.898 367 3HZ LYS 50 3HZ LYS 50 8.573 -19.134 3.299 368 H TRP 51 H TRP 51 1.793 -19.475 5.168 369 HA TRP 51 HA TRP 51 0.956 -20.676 7.623 370 1HB TRP 51 2HB TRP 51 0.317 -18.456 8.303 371 2HB TRP 51 1HB TRP 51 1.953 -18.461 7.552 372 HD1 TRP 51 HD TRP 51 2.172 -17.019 5.189 373 HE1 TRP 51 1HE TRP 51 0.548 -15.291 4.142 374 HE3 TRP 51 3HE TRP 51 -2.008 -17.873 7.948 375 HZ2 TRP 51 2HZ TRP 51 -1.870 -14.081 4.748 376 HZ3 TRP 51 3HZ TRP 51 -3.981 -16.473 7.556 377 HH2 TRP 51 HH TRP 51 -3.913 -14.613 5.990 378 H TRP 52 H TRP 52 -0.620 -19.878 4.643 379 HA TRP 52 HA TRP 52 -3.293 -20.089 5.590 380 1HB TRP 52 2HB TRP 52 -2.117 -20.590 2.795 381 2HB TRP 52 1HB TRP 52 -3.868 -20.491 3.172 382 HD1 TRP 52 HD TRP 52 -0.763 -18.197 2.793 383 HE1 TRP 52 1HE TRP 52 -1.610 -15.803 2.525 384 HE3 TRP 52 3HE TRP 52 -5.668 -18.987 3.844 385 HZ2 TRP 52 2HZ TRP 52 -4.097 -14.447 2.600 386 HZ3 TRP 52 3HZ TRP 52 -7.217 -17.102 3.758 387 HH2 TRP 52 HH TRP 52 -6.454 -14.868 3.150 388 H GLU 53 H GLU 53 -1.085 -22.341 3.947 389 HA GLU 53 HA GLU 53 -2.895 -24.558 4.455 390 1HB GLU 53 2HB GLU 53 -0.356 -24.259 2.819 391 2HB GLU 53 1HB GLU 53 -1.177 -25.826 3.095 392 1HG GLU 53 2HG GLU 53 -3.299 -24.947 2.156 393 2HG GLU 53 1HG GLU 53 -2.527 -23.357 1.831 394 H LEU 54 H LEU 54 -2.392 -23.698 6.775 395 HA LEU 54 HA LEU 54 -0.863 -25.837 7.982 396 1HB LEU 54 2HB LEU 54 0.505 -23.724 8.232 397 2HB LEU 54 1HB LEU 54 -0.941 -22.901 8.885 398 HG LEU 54 HG LEU 54 -0.958 -24.507 10.820 399 1HD1 LEU 54 1HD1 LEU 54 1.087 -25.875 11.299 400 2HD1 LEU 54 2HD1 LEU 54 1.727 -25.489 9.657 401 3HD1 LEU 54 3HD1 LEU 54 0.222 -26.464 9.835 402 1HD2 LEU 54 1HD2 LEU 54 1.665 -22.950 10.419 403 2HD2 LEU 54 2HD2 LEU 54 0.996 -23.513 11.998 404 3HD2 LEU 54 3HD2 LEU 54 0.100 -22.282 11.034 Start of MODEL 18 1 1H VAL 1 1HT VAL 1 8.074 14.184 7.385 2 2H VAL 1 2HT VAL 1 9.569 13.671 7.916 3 3H VAL 1 3HT VAL 1 8.770 14.887 8.741 4 HA VAL 1 HA VAL 1 8.702 12.090 9.033 5 HB VAL 1 HB VAL 1 7.562 12.452 11.113 6 1HG1 VAL 1 1HG1 VAL 1 9.210 13.884 12.195 7 2HG1 VAL 1 2HG1 VAL 1 9.702 14.623 10.641 8 3HG1 VAL 1 3HG1 VAL 1 10.022 12.874 10.949 9 1HG2 VAL 1 1HG2 VAL 1 6.876 14.740 11.825 10 2HG2 VAL 1 2HG2 VAL 1 5.866 14.150 10.471 11 3HG2 VAL 1 3HG2 VAL 1 7.151 15.375 10.175 12 H VAL 2 H VAL 2 6.892 10.622 9.457 13 HA VAL 2 HA VAL 2 4.905 11.004 7.434 14 HB VAL 2 HB VAL 2 5.570 8.654 9.207 15 1HG1 VAL 2 1HG1 VAL 2 4.206 7.370 7.519 16 2HG1 VAL 2 2HG1 VAL 2 3.662 8.921 6.779 17 3HG1 VAL 2 3HG1 VAL 2 3.192 8.495 8.469 18 1HG2 VAL 2 1HG2 VAL 2 7.404 9.258 7.589 19 2HG2 VAL 2 2HG2 VAL 2 6.198 9.297 6.243 20 3HG2 VAL 2 3HG2 VAL 2 6.561 7.757 7.090 21 H SER 3 H SER 3 2.894 11.569 7.707 22 HA SER 3 HA SER 3 1.500 10.910 10.167 23 1HB SER 3 2HB SER 3 1.277 13.572 8.634 24 2HB SER 3 1HB SER 3 0.061 12.995 9.832 25 HG SER 3 HG SER 3 1.686 14.461 10.609 26 H HIS 4 H HIS 4 -0.944 10.869 9.538 27 HA HIS 4 HA HIS 4 -1.020 9.377 7.096 28 1HB HIS 4 2HB HIS 4 -2.107 8.890 9.470 29 2HB HIS 4 1HB HIS 4 -3.455 9.862 8.836 30 HD1 HIS 4 1HD HIS 4 -1.263 6.867 7.831 31 HD2 HIS 4 2HD HIS 4 -5.229 8.193 7.384 32 HE1 HIS 4 1HE HIS 4 -2.516 5.023 6.725 33 HE2 HIS 4 2HE HIS 4 -4.871 5.826 6.418 34 H PHE 5 H PHE 5 -1.835 9.905 5.164 35 HA PHE 5 HA PHE 5 -3.525 12.290 4.988 36 1HB PHE 5 2HB PHE 5 -1.183 11.582 3.122 37 2HB PHE 5 1HB PHE 5 -2.348 12.934 2.893 38 HD1 PHE 5 1HD PHE 5 -2.258 14.898 4.307 39 HD2 PHE 5 2HD PHE 5 0.488 11.699 4.809 40 HE1 PHE 5 1HE PHE 5 -0.822 16.343 5.663 41 HE2 PHE 5 2HE PHE 5 1.914 13.128 6.182 42 HZ PHE 5 HZ PHE 5 1.266 15.468 6.615 43 H ASN 6 H ASN 6 -4.722 12.426 3.006 44 HA ASN 6 HA ASN 6 -5.603 9.752 2.109 45 1HB ASN 6 2HB ASN 6 -7.020 12.438 2.568 46 2HB ASN 6 1HB ASN 6 -7.815 11.073 1.717 47 1HD2 ASN 6 1HD2 ASN 6 -8.750 9.427 2.932 48 2HD2 ASN 6 2HD2 ASN 6 -8.782 9.455 4.674 49 H ASP 7 H ASP 7 -4.570 9.511 0.072 50 HA ASP 7 HA ASP 7 -6.064 10.883 -1.850 51 1HB ASP 7 2HB ASP 7 -4.044 12.507 -1.313 52 2HB ASP 7 1HB ASP 7 -3.047 11.335 -2.210 53 H CYS 8 H CYS 8 -6.765 8.890 -2.632 54 HA CYS 8 HA CYS 8 -4.766 7.538 -4.166 55 1HB CYS 8 2HB CYS 8 -4.750 6.580 -1.749 56 2HB CYS 8 1HB CYS 8 -6.270 5.780 -2.182 57 HA PRO 9 HA PRO 9 -8.797 6.996 -6.098 58 1HB PRO 9 2HB PRO 9 -8.010 6.592 -8.703 59 2HB PRO 9 1HB PRO 9 -7.971 8.226 -7.931 60 1HG PRO 9 2HG PRO 9 -5.649 6.243 -8.230 61 2HG PRO 9 1HG PRO 9 -5.675 8.006 -8.664 62 1HD PRO 9 2HD PRO 9 -4.707 7.045 -6.230 63 2HD PRO 9 1HD PRO 9 -5.565 8.655 -6.350 64 H LEU 10 H LEU 10 -9.980 5.180 -6.236 65 HA LEU 10 HA LEU 10 -8.776 2.602 -6.378 66 1HB LEU 10 2HB LEU 10 -11.673 3.565 -6.619 67 2HB LEU 10 1HB LEU 10 -11.183 1.855 -6.710 68 HG LEU 10 HG LEU 10 -12.054 2.243 -4.577 69 1HD1 LEU 10 1HD1 LEU 10 -10.254 1.476 -3.099 70 2HD1 LEU 10 2HD1 LEU 10 -8.997 2.078 -4.232 71 3HD1 LEU 10 3HD1 LEU 10 -10.069 0.711 -4.727 72 1HD2 LEU 10 1HD2 LEU 10 -11.277 3.807 -2.892 73 2HD2 LEU 10 2HD2 LEU 10 -11.737 4.721 -4.373 74 3HD2 LEU 10 3HD2 LEU 10 -9.994 4.445 -3.973 75 H SER 11 H SER 11 -10.084 4.896 -8.624 76 HA SER 11 HA SER 11 -10.129 3.144 -10.849 77 1HB SER 11 2HB SER 11 -11.457 5.351 -10.542 78 2HB SER 11 1HB SER 11 -9.956 6.189 -11.032 79 HG SER 11 HG SER 11 -11.667 4.472 -12.436 80 H HIS 12 H HIS 12 -8.857 4.128 -12.856 81 HA HIS 12 HA HIS 12 -7.259 2.408 -13.215 82 1HB HIS 12 2HB HIS 12 -7.453 4.491 -14.679 83 2HB HIS 12 1HB HIS 12 -5.981 5.099 -13.914 84 HD1 HIS 12 1HD HIS 12 -4.299 2.265 -14.119 85 HD2 HIS 12 2HD HIS 12 -6.489 4.198 -17.144 86 HE1 HIS 12 1HE HIS 12 -3.353 1.516 -16.281 87 HE2 HIS 12 2HE HIS 12 -4.634 2.747 -18.094 88 H ASP 13 H ASP 13 -6.248 1.286 -11.593 89 HA ASP 13 HA ASP 13 -4.256 2.370 -10.001 90 1HB ASP 13 2HB ASP 13 -3.975 -0.068 -9.352 91 2HB ASP 13 1HB ASP 13 -5.634 0.598 -9.189 92 H GLY 14 H GLY 14 -2.050 1.590 -9.833 93 1HA GLY 14 2HA GLY 14 -0.752 0.863 -12.308 94 2HA GLY 14 1HA GLY 14 -0.622 2.595 -11.826 95 H TYR 15 H TYR 15 0.054 2.842 -9.372 96 HA TYR 15 HA TYR 15 2.532 1.481 -9.197 97 1HB TYR 15 2HB TYR 15 2.226 3.877 -8.554 98 2HB TYR 15 1HB TYR 15 1.121 3.376 -7.250 99 HD1 TYR 15 1HD TYR 15 2.255 4.149 -5.428 100 HD2 TYR 15 2HD TYR 15 4.395 1.751 -8.215 101 HE1 TYR 15 1HE TYR 15 4.102 3.924 -3.833 102 HE2 TYR 15 2HE TYR 15 6.189 1.471 -6.608 103 HH TYR 15 HH TYR 15 7.037 2.113 -4.612 104 H CYS 16 H CYS 16 -0.510 1.369 -7.237 105 HA CYS 16 HA CYS 16 0.802 -0.615 -5.560 106 1HB CYS 16 2HB CYS 16 -1.962 0.606 -5.210 107 2HB CYS 16 1HB CYS 16 -1.031 -0.362 -4.019 108 H LEU 17 H LEU 17 0.124 -2.665 -5.281 109 HA LEU 17 HA LEU 17 -1.768 -3.716 -7.266 110 1HB LEU 17 2HB LEU 17 0.422 -5.203 -5.728 111 2HB LEU 17 1HB LEU 17 -0.695 -5.882 -6.951 112 HG LEU 17 HG LEU 17 1.235 -5.705 -8.115 113 1HD1 LEU 17 1HD1 LEU 17 -0.614 -4.526 -9.357 114 2HD1 LEU 17 2HD1 LEU 17 1.047 -4.031 -9.852 115 3HD1 LEU 17 3HD1 LEU 17 0.064 -2.953 -8.799 116 1HD2 LEU 17 1HD2 LEU 17 2.615 -4.512 -6.432 117 2HD2 LEU 17 2HD2 LEU 17 1.906 -2.935 -6.955 118 3HD2 LEU 17 3HD2 LEU 17 2.896 -3.896 -8.103 119 H HIS 18 H HIS 18 -3.140 -5.346 -6.560 120 HA HIS 18 HA HIS 18 -4.926 -5.875 -5.359 121 1HB HIS 18 2HB HIS 18 -2.737 -6.289 -3.288 122 2HB HIS 18 1HB HIS 18 -4.426 -6.782 -2.962 123 HD1 HIS 18 1HD HIS 18 -5.571 -8.408 -4.677 124 HD2 HIS 18 2HD HIS 18 -1.401 -8.526 -4.334 125 HE1 HIS 18 1HE HIS 18 -4.819 -10.635 -5.604 126 HE2 HIS 18 2HE HIS 18 -2.356 -10.755 -5.194 127 H ASP 19 H ASP 19 -4.793 -3.055 -5.443 128 HA ASP 19 HA ASP 19 -5.604 -1.291 -4.555 129 1HB ASP 19 2HB ASP 19 -7.474 -3.180 -3.060 130 2HB ASP 19 1HB ASP 19 -7.740 -1.418 -3.326 131 H GLY 20 H GLY 20 -3.307 -1.543 -3.491 132 1HA GLY 20 2HA GLY 20 -3.285 -1.415 -0.686 133 2HA GLY 20 1HA GLY 20 -2.019 -0.837 -1.824 134 H VAL 21 H VAL 21 -2.163 0.525 0.449 135 HA VAL 21 HA VAL 21 -4.074 2.681 0.182 136 HB VAL 21 HB VAL 21 -2.197 1.922 2.441 137 1HG1 VAL 21 1HG1 VAL 21 -4.510 3.978 2.250 138 2HG1 VAL 21 2HG1 VAL 21 -2.757 4.362 2.477 139 3HG1 VAL 21 3HG1 VAL 21 -3.657 3.494 3.759 140 1HG2 VAL 21 1HG2 VAL 21 -4.337 1.169 3.545 141 2HG2 VAL 21 2HG2 VAL 21 -3.907 0.165 2.124 142 3HG2 VAL 21 3HG2 VAL 21 -5.205 1.411 1.987 143 H CYS 22 H CYS 22 -3.243 4.160 -1.312 144 HA CYS 22 HA CYS 22 -0.441 4.901 -0.952 145 1HB CYS 22 2HB CYS 22 -0.365 5.711 -3.107 146 2HB CYS 22 1HB CYS 22 -1.165 4.125 -3.154 147 H MET 23 H MET 23 0.278 7.025 -0.688 148 HA MET 23 HA MET 23 -1.584 9.112 -0.945 149 1HB MET 23 2HB MET 23 -1.417 10.125 1.299 150 2HB MET 23 1HB MET 23 -2.327 8.618 1.294 151 1HG MET 23 2HG MET 23 0.640 8.460 1.977 152 2HG MET 23 1HG MET 23 -0.464 9.240 3.131 153 1HE MET 23 1HE MET 23 0.205 7.758 4.927 154 2HE MET 23 2HE MET 23 1.297 6.775 3.896 155 3HE MET 23 3HE MET 23 0.102 5.967 4.949 156 H TYR 24 H TYR 24 -0.547 11.237 -0.259 157 HA TYR 24 HA TYR 24 2.318 11.276 -0.851 158 1HB TYR 24 2HB TYR 24 1.375 12.543 -2.592 159 2HB TYR 24 1HB TYR 24 -0.093 12.909 -1.633 160 HD1 TYR 24 1HD TYR 24 -0.453 14.910 -0.820 161 HD2 TYR 24 2HD TYR 24 3.553 13.799 -1.754 162 HE1 TYR 24 1HE TYR 24 0.259 17.173 -0.399 163 HE2 TYR 24 2HE TYR 24 4.287 16.079 -1.325 164 HH TYR 24 HH TYR 24 2.026 18.603 -0.193 165 H ILE 25 H ILE 25 3.672 12.074 0.776 166 HA ILE 25 HA ILE 25 2.329 12.697 3.271 167 HB ILE 25 HB ILE 25 5.194 11.902 2.665 168 1HG1 ILE 25 2HG1 ILE 25 3.798 10.024 1.999 169 2HG1 ILE 25 1HG1 ILE 25 4.687 9.689 3.500 170 1HG2 ILE 25 1HG2 ILE 25 5.129 11.389 5.157 171 2HG2 ILE 25 2HG2 ILE 25 3.491 12.129 5.235 172 3HG2 ILE 25 3HG2 ILE 25 4.922 13.148 4.787 173 1HD1 ILE 25 1HD1 ILE 25 2.592 10.101 4.859 174 2HD1 ILE 25 2HD1 ILE 25 2.397 8.793 3.648 175 3HD1 ILE 25 3HD1 ILE 25 1.689 10.415 3.325 176 H GLU 26 H GLU 26 2.110 14.860 3.578 177 HA GLU 26 HA GLU 26 3.309 16.654 1.940 178 1HB GLU 26 2HB GLU 26 1.960 17.091 4.649 179 2HB GLU 26 1HB GLU 26 2.401 18.405 3.520 180 1HG GLU 26 2HG GLU 26 1.006 17.374 1.732 181 2HG GLU 26 1HG GLU 26 0.429 16.118 2.885 182 H ALA 27 H ALA 27 4.428 15.955 5.297 183 HA ALA 27 HA ALA 27 6.340 17.988 5.204 184 1HB ALA 27 1HB ALA 27 6.317 15.418 6.872 185 2HB ALA 27 2HB ALA 27 5.490 16.955 7.308 186 3HB ALA 27 3HB ALA 27 7.281 16.909 7.217 187 H LEU 28 H LEU 28 6.472 14.715 3.886 188 HA LEU 28 HA LEU 28 9.354 14.876 3.645 189 1HB LEU 28 2HB LEU 28 7.345 12.726 2.935 190 2HB LEU 28 1HB LEU 28 9.007 12.718 2.284 191 HG LEU 28 HG LEU 28 9.530 13.233 4.941 192 1HD1 LEU 28 1HD1 LEU 28 7.167 12.797 5.605 193 2HD1 LEU 28 2HD1 LEU 28 8.293 11.530 6.265 194 3HD1 LEU 28 3HD1 LEU 28 7.259 11.155 4.843 195 1HD2 LEU 28 1HD2 LEU 28 10.352 10.880 4.989 196 2HD2 LEU 28 2HD2 LEU 28 10.761 11.702 3.440 197 3HD2 LEU 28 3HD2 LEU 28 9.405 10.509 3.496 198 H ASP 29 H ASP 29 6.503 15.543 1.764 199 HA ASP 29 HA ASP 29 6.140 16.521 -0.103 200 1HB ASP 29 2HB ASP 29 8.273 17.803 0.402 201 2HB ASP 29 1HB ASP 29 9.139 16.675 -0.692 202 H LYS 30 H LYS 30 6.978 13.549 0.321 203 HA LYS 30 HA LYS 30 6.936 12.770 -2.510 204 1HB LYS 30 2HB LYS 30 8.504 11.458 -0.218 205 2HB LYS 30 1HB LYS 30 8.466 10.896 -1.917 206 1HG LYS 30 2HG LYS 30 9.687 13.508 -0.880 207 2HG LYS 30 1HG LYS 30 10.567 12.055 -1.442 208 1HD LYS 30 2HD LYS 30 9.686 12.375 -3.753 209 2HD LYS 30 1HD LYS 30 8.613 13.676 -3.149 210 1HE LYS 30 2HE LYS 30 10.356 14.750 -4.343 211 2HE LYS 30 1HE LYS 30 10.556 15.133 -2.591 212 1HZ LYS 30 1HZ LYS 30 12.568 14.555 -3.921 213 2HZ LYS 30 2HZ LYS 30 12.059 12.950 -3.959 214 3HZ LYS 30 3HZ LYS 30 12.418 13.701 -2.478 215 H TYR 31 H TYR 31 6.418 10.387 -2.775 216 HA TYR 31 HA TYR 31 3.993 9.956 -1.186 217 1HB TYR 31 2HB TYR 31 3.862 8.532 -3.693 218 2HB TYR 31 1HB TYR 31 2.784 9.771 -3.021 219 HD1 TYR 31 1HD TYR 31 4.979 8.951 -5.592 220 HD2 TYR 31 2HD TYR 31 3.523 12.232 -3.346 221 HE1 TYR 31 1HE TYR 31 5.522 10.460 -7.453 222 HE2 TYR 31 2HE TYR 31 4.085 13.758 -5.181 223 HH TYR 31 HH TYR 31 4.960 13.963 -7.251 224 H ALA 32 H ALA 32 3.236 7.727 -0.980 225 HA ALA 32 HA ALA 32 5.130 5.678 -1.543 226 1HB ALA 32 1HB ALA 32 5.293 4.843 0.833 227 2HB ALA 32 2HB ALA 32 4.342 6.274 1.384 228 3HB ALA 32 3HB ALA 32 5.983 6.493 0.687 229 H CYS 33 H CYS 33 4.212 3.479 -0.811 230 HA CYS 33 HA CYS 33 1.308 3.585 -0.575 231 1HB CYS 33 2HB CYS 33 2.075 3.007 -2.942 232 2HB CYS 33 1HB CYS 33 2.716 1.479 -2.283 233 H ASN 34 H ASN 34 0.515 2.458 1.055 234 HA ASN 34 HA ASN 34 2.279 0.545 2.401 235 1HB ASN 34 2HB ASN 34 -0.199 2.029 3.442 236 2HB ASN 34 1HB ASN 34 0.735 0.802 4.365 237 1HD2 ASN 34 1HD2 ASN 34 3.430 1.822 3.399 238 2HD2 ASN 34 2HD2 ASN 34 3.647 3.337 4.205 239 H CYS 35 H CYS 35 1.388 -1.443 3.154 240 HA CYS 35 HA CYS 35 -0.094 -2.434 0.873 241 1HB CYS 35 2HB CYS 35 1.734 -3.811 2.896 242 2HB CYS 35 1HB CYS 35 1.055 -4.576 1.425 243 H VAL 36 H VAL 36 -1.162 -4.530 1.038 244 HA VAL 36 HA VAL 36 -3.007 -4.712 3.243 245 HB VAL 36 HB VAL 36 -3.843 -6.661 1.810 246 1HG1 VAL 36 1HG1 VAL 36 -4.966 -4.433 1.960 247 2HG1 VAL 36 2HG1 VAL 36 -5.016 -5.065 0.274 248 3HG1 VAL 36 3HG1 VAL 36 -3.857 -3.766 0.703 249 1HG2 VAL 36 1HG2 VAL 36 -1.645 -6.810 0.433 250 2HG2 VAL 36 2HG2 VAL 36 -2.158 -5.282 -0.383 251 3HG2 VAL 36 3HG2 VAL 36 -3.177 -6.747 -0.504 252 H VAL 37 H VAL 37 -3.298 -6.737 4.363 253 HA VAL 37 HA VAL 37 -0.806 -7.610 5.299 254 HB VAL 37 HB VAL 37 -2.643 -7.105 6.719 255 1HG1 VAL 37 1HG1 VAL 37 -4.568 -8.614 6.981 256 2HG1 VAL 37 2HG1 VAL 37 -4.018 -9.645 5.624 257 3HG1 VAL 37 3HG1 VAL 37 -4.553 -7.948 5.316 258 1HG2 VAL 37 1HG2 VAL 37 -0.822 -8.640 7.491 259 2HG2 VAL 37 2HG2 VAL 37 -1.806 -10.065 6.967 260 3HG2 VAL 37 3HG2 VAL 37 -2.404 -8.983 8.269 261 H GLY 38 H GLY 38 0.318 -9.451 5.134 262 1HA GLY 38 2HA GLY 38 0.581 -11.672 4.847 263 2HA GLY 38 1HA GLY 38 -0.880 -11.761 3.806 264 H TYR 39 H TYR 39 1.777 -9.429 3.493 265 HA TYR 39 HA TYR 39 2.639 -10.652 1.036 266 1HB TYR 39 2HB TYR 39 1.186 -7.935 1.091 267 2HB TYR 39 1HB TYR 39 2.201 -8.511 -0.287 268 HD1 TYR 39 1HD TYR 39 -1.020 -8.782 1.359 269 HD2 TYR 39 2HD TYR 39 1.553 -10.453 -1.583 270 HE1 TYR 39 1HE TYR 39 -2.937 -9.858 0.301 271 HE2 TYR 39 2HE TYR 39 -0.369 -11.556 -2.631 272 HH TYR 39 HH TYR 39 -3.624 -10.777 -1.684 273 H ILE 40 H ILE 40 4.605 -10.003 0.395 274 HA ILE 40 HA ILE 40 5.991 -7.970 1.954 275 HB ILE 40 HB ILE 40 7.997 -9.436 2.023 276 1HG1 ILE 40 2HG1 ILE 40 5.979 -11.588 1.156 277 2HG1 ILE 40 1HG1 ILE 40 7.451 -11.049 0.277 278 1HG2 ILE 40 1HG2 ILE 40 7.251 -10.572 4.054 279 2HG2 ILE 40 2HG2 ILE 40 5.525 -10.417 3.569 280 3HG2 ILE 40 3HG2 ILE 40 6.491 -8.949 3.953 281 1HD1 ILE 40 1HD1 ILE 40 7.917 -13.173 1.390 282 2HD1 ILE 40 2HD1 ILE 40 7.387 -12.531 2.977 283 3HD1 ILE 40 3HD1 ILE 40 8.871 -11.870 2.202 284 H GLY 41 H GLY 41 8.307 -7.694 0.875 285 1HA GLY 41 2HA GLY 41 9.395 -7.124 -1.007 286 2HA GLY 41 1HA GLY 41 7.940 -7.472 -2.009 287 H GLU 42 H GLU 42 9.363 -5.127 -2.459 288 HA GLU 42 HA GLU 42 8.683 -3.018 -0.817 289 1HB GLU 42 2HB GLU 42 10.542 -3.011 -2.371 290 2HB GLU 42 1HB GLU 42 9.443 -2.994 -3.773 291 1HG GLU 42 2HG GLU 42 8.659 -0.727 -3.241 292 2HG GLU 42 1HG GLU 42 9.397 -0.800 -1.608 293 H ARG 43 H ARG 43 7.088 -3.988 -3.859 294 HA ARG 43 HA ARG 43 4.849 -2.227 -3.129 295 1HB ARG 43 2HB ARG 43 4.069 -2.581 -5.463 296 2HB ARG 43 1HB ARG 43 5.592 -1.696 -5.291 297 1HG ARG 43 2HG ARG 43 5.969 -4.650 -5.641 298 2HG ARG 43 1HG ARG 43 5.136 -3.868 -6.995 299 1HD ARG 43 2HD ARG 43 7.822 -2.810 -5.875 300 2HD ARG 43 1HD ARG 43 7.675 -3.948 -7.278 301 HE ARG 43 HE ARG 43 5.847 -1.850 -7.821 302 1HH1 ARG 43 1HH1 ARG 43 9.446 -1.898 -7.371 303 2HH1 ARG 43 2HH1 ARG 43 9.611 -0.565 -8.461 304 1HH2 ARG 43 1HH2 ARG 43 6.168 -0.293 -9.167 305 2HH2 ARG 43 2HH2 ARG 43 7.762 0.290 -9.627 306 H CYS 44 H CYS 44 5.596 -4.932 -1.981 307 HA CYS 44 HA CYS 44 4.590 -6.696 -1.236 308 1HB CYS 44 2HB CYS 44 2.289 -4.740 -1.285 309 2HB CYS 44 1HB CYS 44 2.299 -6.248 -0.319 310 H GLN 45 H GLN 45 4.890 -7.463 -3.723 311 HA GLN 45 HA GLN 45 2.317 -8.616 -4.533 312 1HB GLN 45 2HB GLN 45 4.819 -7.821 -5.900 313 2HB GLN 45 1HB GLN 45 4.188 -9.406 -6.439 314 1HG GLN 45 2HG GLN 45 1.964 -8.429 -6.933 315 2HG GLN 45 1HG GLN 45 2.524 -6.821 -6.338 316 1HE2 GLN 45 1HE2 GLN 45 4.643 -6.091 -7.373 317 2HE2 GLN 45 2HE2 GLN 45 4.693 -6.187 -9.129 318 H TYR 46 H TYR 46 5.215 -9.509 -2.845 319 HA TYR 46 HA TYR 46 5.063 -12.290 -3.609 320 1HB TYR 46 2HB TYR 46 6.717 -10.724 -1.546 321 2HB TYR 46 1HB TYR 46 6.879 -12.492 -1.825 322 HD1 TYR 46 1HD TYR 46 7.031 -9.245 -3.812 323 HD2 TYR 46 2HD TYR 46 8.653 -13.079 -2.959 324 HE1 TYR 46 1HE TYR 46 8.851 -8.797 -5.329 325 HE2 TYR 46 2HE TYR 46 10.518 -12.621 -4.464 326 HH TYR 46 HH TYR 46 10.756 -9.556 -6.265 327 H ARG 47 H ARG 47 4.538 -13.974 -1.977 328 HA ARG 47 HA ARG 47 2.490 -12.909 -0.175 329 1HB ARG 47 2HB ARG 47 2.858 -15.742 -1.243 330 2HB ARG 47 1HB ARG 47 1.553 -15.164 -0.153 331 1HG ARG 47 2HG ARG 47 1.013 -13.406 -1.948 332 2HG ARG 47 1HG ARG 47 2.072 -14.310 -3.063 333 1HD ARG 47 2HD ARG 47 -0.386 -15.506 -1.605 334 2HD ARG 47 1HD ARG 47 -0.462 -14.766 -3.239 335 HE ARG 47 HE ARG 47 0.779 -17.378 -2.519 336 1HH1 ARG 47 1HH1 ARG 47 1.017 -14.845 -5.028 337 2HH1 ARG 47 2HH1 ARG 47 1.329 -16.038 -6.227 338 1HH2 ARG 47 1HH2 ARG 47 0.551 -18.826 -4.361 339 2HH2 ARG 47 2HH2 ARG 47 0.707 -18.152 -5.939 340 H ASP 48 H ASP 48 2.575 -13.118 1.967 341 HA ASP 48 HA ASP 48 5.045 -14.111 3.073 342 1HB ASP 48 2HB ASP 48 3.904 -11.837 3.597 343 2HB ASP 48 1HB ASP 48 2.700 -12.773 4.546 344 H LEU 49 H LEU 49 5.226 -16.125 3.923 345 HA LEU 49 HA LEU 49 2.930 -17.749 3.473 346 1HB LEU 49 2HB LEU 49 5.822 -18.473 4.078 347 2HB LEU 49 1HB LEU 49 4.551 -19.622 3.551 348 HG LEU 49 HG LEU 49 5.615 -17.254 1.912 349 1HD1 LEU 49 1HD1 LEU 49 6.635 -19.031 0.485 350 2HD1 LEU 49 2HD1 LEU 49 6.029 -20.295 1.620 351 3HD1 LEU 49 3HD1 LEU 49 7.262 -19.106 2.177 352 1HD2 LEU 49 1HD2 LEU 49 3.250 -17.668 1.296 353 2HD2 LEU 49 2HD2 LEU 49 3.570 -19.445 1.174 354 3HD2 LEU 49 3HD2 LEU 49 4.337 -18.300 0.012 355 H LYS 50 H LYS 50 3.192 -16.153 6.074 356 HA LYS 50 HA LYS 50 3.639 -17.806 8.179 357 1HB LYS 50 2HB LYS 50 1.610 -15.509 7.906 358 2HB LYS 50 1HB LYS 50 2.280 -16.133 9.451 359 1HG LYS 50 2HG LYS 50 3.902 -14.733 7.222 360 2HG LYS 50 1HG LYS 50 3.271 -14.003 8.717 361 1HD LYS 50 2HD LYS 50 5.155 -14.580 9.796 362 2HD LYS 50 1HD LYS 50 4.604 -16.272 9.661 363 1HE LYS 50 2HE LYS 50 6.847 -16.282 8.871 364 2HE LYS 50 1HE LYS 50 5.818 -16.416 7.390 365 1HZ LYS 50 1HZ LYS 50 7.720 -14.818 7.316 366 2HZ LYS 50 2HZ LYS 50 6.926 -13.830 8.409 367 3HZ LYS 50 3HZ LYS 50 6.244 -14.147 6.888 368 H TRP 51 H TRP 51 0.394 -17.073 6.827 369 HA TRP 51 HA TRP 51 -0.688 -19.247 8.399 370 1HB TRP 51 2HB TRP 51 -2.868 -18.533 7.386 371 2HB TRP 51 1HB TRP 51 -2.023 -17.364 8.443 372 HD1 TRP 51 HD TRP 51 -1.498 -14.980 7.416 373 HE1 TRP 51 1HE TRP 51 -2.343 -13.839 5.255 374 HE3 TRP 51 3HE TRP 51 -3.099 -19.090 4.878 375 HZ2 TRP 51 2HZ TRP 51 -3.304 -14.611 2.754 376 HZ3 TRP 51 3HZ TRP 51 -3.913 -18.819 2.597 377 HH2 TRP 51 HH TRP 51 -4.035 -16.633 1.550 378 H TRP 52 H TRP 52 0.309 -18.766 5.135 379 HA TRP 52 HA TRP 52 -1.145 -20.618 3.791 380 1HB TRP 52 2HB TRP 52 1.720 -19.631 3.451 381 2HB TRP 52 1HB TRP 52 1.041 -20.837 2.324 382 HD1 TRP 52 HD TRP 52 0.830 -17.049 2.871 383 HE1 TRP 52 1HE TRP 52 -0.666 -16.106 1.019 384 HE3 TRP 52 3HE TRP 52 -0.993 -21.421 1.039 385 HZ2 TRP 52 2HZ TRP 52 -2.318 -17.113 -1.038 386 HZ3 TRP 52 3HZ TRP 52 -2.545 -21.357 -0.844 387 HH2 TRP 52 HH TRP 52 -3.207 -19.251 -1.862 388 H GLU 53 H GLU 53 1.799 -21.390 5.650 389 HA GLU 53 HA GLU 53 1.874 -24.021 4.560 390 1HB GLU 53 2HB GLU 53 3.419 -22.834 6.899 391 2HB GLU 53 1HB GLU 53 3.754 -24.390 6.077 392 1HG GLU 53 2HG GLU 53 4.208 -23.127 3.922 393 2HG GLU 53 1HG GLU 53 4.009 -21.582 4.830 394 H LEU 54 H LEU 54 -0.570 -24.050 5.471 395 HA LEU 54 HA LEU 54 -0.554 -25.543 7.979 396 1HB LEU 54 2HB LEU 54 -2.305 -23.781 7.387 397 2HB LEU 54 1HB LEU 54 -2.904 -24.887 6.127 398 HG LEU 54 HG LEU 54 -4.211 -24.812 8.244 399 1HD1 LEU 54 1HD1 LEU 54 -4.397 -26.833 6.827 400 2HD1 LEU 54 2HD1 LEU 54 -4.588 -27.218 8.577 401 3HD1 LEU 54 3HD1 LEU 54 -3.049 -27.615 7.746 402 1HD2 LEU 54 1HD2 LEU 54 -3.459 -25.771 10.341 403 2HD2 LEU 54 2HD2 LEU 54 -2.267 -24.515 9.830 404 3HD2 LEU 54 3HD2 LEU 54 -1.881 -26.267 9.631 Start of MODEL 19 1 1H VAL 1 1HT VAL 1 7.385 20.578 7.004 2 2H VAL 1 2HT VAL 1 6.995 19.165 6.206 3 3H VAL 1 3HT VAL 1 6.498 19.408 7.808 4 HA VAL 1 HA VAL 1 5.296 21.441 6.994 5 HB VAL 1 HB VAL 1 5.512 19.859 4.409 6 1HG1 VAL 1 1HG1 VAL 1 3.305 21.059 4.563 7 2HG1 VAL 1 2HG1 VAL 1 4.393 21.842 3.381 8 3HG1 VAL 1 3HG1 VAL 1 4.169 22.588 4.995 9 1HG2 VAL 1 1HG2 VAL 1 7.666 21.034 4.836 10 2HG2 VAL 1 2HG2 VAL 1 6.779 22.553 5.249 11 3HG2 VAL 1 3HG2 VAL 1 6.739 21.900 3.580 12 H VAL 2 H VAL 2 2.890 21.242 6.961 13 HA VAL 2 HA VAL 2 2.314 18.848 8.376 14 HB VAL 2 HB VAL 2 0.770 21.384 7.852 15 1HG1 VAL 2 1HG1 VAL 2 -0.684 20.574 9.750 16 2HG1 VAL 2 2HG1 VAL 2 0.134 18.972 9.678 17 3HG1 VAL 2 3HG1 VAL 2 -0.875 19.548 8.293 18 1HG2 VAL 2 1HG2 VAL 2 2.837 21.647 9.274 19 2HG2 VAL 2 2HG2 VAL 2 2.304 20.261 10.293 20 3HG2 VAL 2 3HG2 VAL 2 1.345 21.780 10.269 21 H SER 3 H SER 3 1.434 17.082 7.618 22 HA SER 3 HA SER 3 -0.283 17.198 5.257 23 1HB SER 3 2HB SER 3 0.055 14.763 5.082 24 2HB SER 3 1HB SER 3 1.573 15.684 4.908 25 HG SER 3 HG SER 3 2.137 15.121 6.986 26 H HIS 4 H HIS 4 -2.272 16.091 5.232 27 HA HIS 4 HA HIS 4 -3.200 15.067 7.824 28 1HB HIS 4 2HB HIS 4 -4.895 16.181 5.525 29 2HB HIS 4 1HB HIS 4 -5.522 15.420 7.029 30 HD1 HIS 4 1HD HIS 4 -6.762 17.837 6.855 31 HD2 HIS 4 2HD HIS 4 -2.741 17.913 8.050 32 HE1 HIS 4 1HE HIS 4 -6.381 20.045 7.993 33 HE2 HIS 4 2HE HIS 4 -3.955 20.137 8.567 34 H PHE 5 H PHE 5 -4.656 13.172 7.567 35 HA PHE 5 HA PHE 5 -3.347 11.460 5.650 36 1HB PHE 5 2HB PHE 5 -3.841 11.220 8.348 37 2HB PHE 5 1HB PHE 5 -5.245 10.311 7.710 38 HD1 PHE 5 1HD PHE 5 -1.764 10.258 8.440 39 HD2 PHE 5 2HD PHE 5 -4.693 8.555 5.875 40 HE1 PHE 5 1HE PHE 5 -0.240 8.405 7.943 41 HE2 PHE 5 2HE PHE 5 -3.171 6.720 5.351 42 HZ PHE 5 HZ PHE 5 -0.939 6.637 6.380 43 H ASN 6 H ASN 6 -4.221 11.044 3.780 44 HA ASN 6 HA ASN 6 -7.153 10.969 3.530 45 1HB ASN 6 2HB ASN 6 -5.057 12.163 1.613 46 2HB ASN 6 1HB ASN 6 -6.798 11.952 1.208 47 1HD2 ASN 6 1HD2 ASN 6 -4.469 13.994 2.867 48 2HD2 ASN 6 2HD2 ASN 6 -5.639 15.227 3.258 49 H ASP 7 H ASP 7 -7.771 9.864 1.404 50 HA ASP 7 HA ASP 7 -6.457 7.323 1.335 51 1HB ASP 7 2HB ASP 7 -8.921 8.538 -0.057 52 2HB ASP 7 1HB ASP 7 -8.369 6.849 -0.366 53 H CYS 8 H CYS 8 -6.069 6.218 -0.723 54 HA CYS 8 HA CYS 8 -4.070 7.653 -2.020 55 1HB CYS 8 2HB CYS 8 -5.210 4.909 -2.747 56 2HB CYS 8 1HB CYS 8 -3.602 5.542 -3.223 57 HA PRO 9 HA PRO 9 -6.002 9.305 -5.366 58 1HB PRO 9 2HB PRO 9 -3.997 7.932 -7.241 59 2HB PRO 9 1HB PRO 9 -4.533 9.668 -7.259 60 1HG PRO 9 2HG PRO 9 -2.157 9.004 -6.082 61 2HG PRO 9 1HG PRO 9 -3.296 10.101 -5.181 62 1HD PRO 9 2HD PRO 9 -2.937 7.061 -4.859 63 2HD PRO 9 1HD PRO 9 -3.008 8.358 -3.581 64 H LEU 10 H LEU 10 -7.517 9.210 -7.002 65 HA LEU 10 HA LEU 10 -8.782 6.765 -7.465 66 1HB LEU 10 2HB LEU 10 -9.876 8.990 -7.307 67 2HB LEU 10 1HB LEU 10 -9.066 9.500 -8.809 68 HG LEU 10 HG LEU 10 -10.349 7.808 -10.097 69 1HD1 LEU 10 1HD1 LEU 10 -10.724 6.033 -8.394 70 2HD1 LEU 10 2HD1 LEU 10 -12.301 6.631 -9.022 71 3HD1 LEU 10 3HD1 LEU 10 -11.718 7.172 -7.404 72 1HD2 LEU 10 1HD2 LEU 10 -11.223 10.127 -9.788 73 2HD2 LEU 10 2HD2 LEU 10 -12.111 9.595 -8.313 74 3HD2 LEU 10 3HD2 LEU 10 -12.559 8.920 -9.924 75 H SER 11 H SER 11 -6.166 8.254 -9.091 76 HA SER 11 HA SER 11 -6.553 7.163 -11.653 77 1HB SER 11 2HB SER 11 -4.974 9.081 -10.898 78 2HB SER 11 1HB SER 11 -3.830 7.798 -10.411 79 HG SER 11 HG SER 11 -4.524 8.766 -12.857 80 H HIS 12 H HIS 12 -4.830 5.565 -12.634 81 HA HIS 12 HA HIS 12 -5.394 3.138 -11.263 82 1HB HIS 12 2HB HIS 12 -3.677 3.692 -13.718 83 2HB HIS 12 1HB HIS 12 -3.912 2.063 -13.044 84 HD1 HIS 12 1HD HIS 12 -5.445 0.807 -14.423 85 HD2 HIS 12 2HD HIS 12 -6.548 4.851 -14.310 86 HE1 HIS 12 1HE HIS 12 -7.406 1.058 -15.947 87 HE2 HIS 12 2HE HIS 12 -7.948 3.531 -15.982 88 H ASP 13 H ASP 13 -4.262 1.898 -9.954 89 HA ASP 13 HA ASP 13 -1.768 2.842 -8.955 90 1HB ASP 13 2HB ASP 13 -3.477 0.369 -8.328 91 2HB ASP 13 1HB ASP 13 -1.998 0.835 -7.411 92 H GLY 14 H GLY 14 0.074 1.390 -8.621 93 1HA GLY 14 2HA GLY 14 0.590 -0.701 -10.445 94 2HA GLY 14 1HA GLY 14 1.229 0.881 -11.045 95 H TYR 15 H TYR 15 1.952 2.052 -8.696 96 HA TYR 15 HA TYR 15 4.370 0.995 -7.986 97 1HB TYR 15 2HB TYR 15 4.349 2.757 -6.202 98 2HB TYR 15 1HB TYR 15 3.981 3.336 -7.850 99 HD1 TYR 15 1HD TYR 15 2.739 2.941 -4.508 100 HD2 TYR 15 2HD TYR 15 1.674 3.853 -8.500 101 HE1 TYR 15 1HE TYR 15 0.572 3.810 -3.720 102 HE2 TYR 15 2HE TYR 15 -0.522 4.675 -7.737 103 HH TYR 15 HH TYR 15 -2.028 4.232 -5.751 104 H CYS 16 H CYS 16 1.282 0.832 -6.185 105 HA CYS 16 HA CYS 16 2.246 -1.568 -4.869 106 1HB CYS 16 2HB CYS 16 2.614 0.605 -3.454 107 2HB CYS 16 1HB CYS 16 0.841 0.704 -3.342 108 H LEU 17 H LEU 17 0.598 -3.103 -4.901 109 HA LEU 17 HA LEU 17 -1.927 -2.138 -6.048 110 1HB LEU 17 2HB LEU 17 -0.503 -4.834 -6.241 111 2HB LEU 17 1HB LEU 17 -2.135 -4.516 -6.889 112 HG LEU 17 HG LEU 17 -0.781 -4.503 -8.708 113 1HD1 LEU 17 1HD1 LEU 17 -2.428 -2.610 -8.667 114 2HD1 LEU 17 2HD1 LEU 17 -0.993 -2.286 -9.711 115 3HD1 LEU 17 3HD1 LEU 17 -1.119 -1.506 -8.091 116 1HD2 LEU 17 1HD2 LEU 17 1.302 -3.328 -9.078 117 2HD2 LEU 17 2HD2 LEU 17 1.429 -4.281 -7.548 118 3HD2 LEU 17 3HD2 LEU 17 1.198 -2.493 -7.490 119 H HIS 18 H HIS 18 -3.777 -3.405 -5.742 120 HA HIS 18 HA HIS 18 -5.357 -4.365 -4.634 121 1HB HIS 18 2HB HIS 18 -4.020 -6.170 -5.682 122 2HB HIS 18 1HB HIS 18 -3.135 -6.393 -4.146 123 HD1 HIS 18 1HD HIS 18 -6.870 -6.324 -5.138 124 HD2 HIS 18 2HD HIS 18 -4.216 -8.476 -2.703 125 HE1 HIS 18 1HE HIS 18 -8.184 -8.173 -4.117 126 HE2 HIS 18 2HE HIS 18 -6.568 -9.416 -2.573 127 H ASP 19 H ASP 19 -4.978 -2.503 -2.874 128 HA ASP 19 HA ASP 19 -5.605 -1.982 -0.903 129 1HB ASP 19 2HB ASP 19 -7.173 -3.984 -1.218 130 2HB ASP 19 1HB ASP 19 -6.076 -4.891 -0.120 131 H GLY 20 H GLY 20 -2.985 -2.137 -1.505 132 1HA GLY 20 2HA GLY 20 -1.636 -2.804 0.993 133 2HA GLY 20 1HA GLY 20 -0.949 -2.079 -0.509 134 H VAL 21 H VAL 21 -0.670 -1.086 2.346 135 HA VAL 21 HA VAL 21 -2.558 1.049 2.527 136 HB VAL 21 HB VAL 21 -0.239 0.286 4.316 137 1HG1 VAL 21 1HG1 VAL 21 -1.000 2.647 4.666 138 2HG1 VAL 21 2HG1 VAL 21 -1.540 1.597 6.017 139 3HG1 VAL 21 3HG1 VAL 21 -2.716 2.088 4.746 140 1HG2 VAL 21 1HG2 VAL 21 -2.073 -0.752 5.708 141 2HG2 VAL 21 2HG2 VAL 21 -1.848 -1.600 4.144 142 3HG2 VAL 21 3HG2 VAL 21 -3.238 -0.467 4.366 143 H CYS 22 H CYS 22 -2.105 2.385 0.787 144 HA CYS 22 HA CYS 22 0.559 3.391 0.429 145 1HB CYS 22 2HB CYS 22 -0.621 4.567 -1.576 146 2HB CYS 22 1HB CYS 22 -0.353 2.806 -1.572 147 H MET 23 H MET 23 1.340 5.377 0.826 148 HA MET 23 HA MET 23 -0.571 7.490 1.400 149 1HB MET 23 2HB MET 23 0.662 8.204 3.415 150 2HB MET 23 1HB MET 23 -0.318 6.726 3.574 151 1HG MET 23 2HG MET 23 1.684 5.287 3.355 152 2HG MET 23 1HG MET 23 2.733 6.723 3.218 153 1HE MET 23 1HE MET 23 3.362 8.328 5.019 154 2HE MET 23 2HE MET 23 2.700 8.374 6.687 155 3HE MET 23 3HE MET 23 1.657 8.823 5.299 156 H TYR 24 H TYR 24 -0.127 8.659 -0.316 157 HA TYR 24 HA TYR 24 2.555 9.864 -0.437 158 1HB TYR 24 2HB TYR 24 1.826 9.153 -2.704 159 2HB TYR 24 1HB TYR 24 0.214 9.910 -2.429 160 HD1 TYR 24 1HD TYR 24 -0.128 11.725 -3.578 161 HD2 TYR 24 2HD TYR 24 3.815 11.067 -2.109 162 HE1 TYR 24 1HE TYR 24 0.539 13.883 -4.423 163 HE2 TYR 24 2HE TYR 24 4.504 13.220 -2.962 164 HH TYR 24 HH TYR 24 2.174 15.398 -4.596 165 H ILE 25 H ILE 25 2.787 11.874 0.535 166 HA ILE 25 HA ILE 25 0.389 13.489 0.635 167 HB ILE 25 HB ILE 25 1.471 14.338 2.870 168 1HG1 ILE 25 2HG1 ILE 25 1.982 12.427 4.338 169 2HG1 ILE 25 1HG1 ILE 25 2.050 11.307 2.957 170 1HG2 ILE 25 1HG2 ILE 25 -0.899 13.682 2.451 171 2HG2 ILE 25 2HG2 ILE 25 -0.315 12.949 3.987 172 3HG2 ILE 25 3HG2 ILE 25 -0.441 11.938 2.514 173 1HD1 ILE 25 1HD1 ILE 25 4.337 12.103 3.749 174 2HD1 ILE 25 2HD1 ILE 25 3.845 13.800 3.339 175 3HD1 ILE 25 3HD1 ILE 25 4.021 12.569 2.037 176 H GLU 26 H GLU 26 0.561 15.439 -0.039 177 HA GLU 26 HA GLU 26 2.797 16.111 -1.533 178 1HB GLU 26 2HB GLU 26 0.541 16.740 -2.138 179 2HB GLU 26 1HB GLU 26 0.300 17.641 -0.626 180 1HG GLU 26 2HG GLU 26 2.448 18.483 -2.681 181 2HG GLU 26 1HG GLU 26 0.722 18.909 -2.891 182 H ALA 27 H ALA 27 1.863 17.118 1.725 183 HA ALA 27 HA ALA 27 3.470 19.290 2.003 184 1HB ALA 27 1HB ALA 27 3.322 18.785 4.460 185 2HB ALA 27 2HB ALA 27 2.826 17.098 4.074 186 3HB ALA 27 3HB ALA 27 1.747 18.477 3.643 187 H LEU 28 H LEU 28 4.411 15.916 2.693 188 HA LEU 28 HA LEU 28 7.112 16.834 3.250 189 1HB LEU 28 2HB LEU 28 6.107 13.954 3.205 190 2HB LEU 28 1HB LEU 28 7.646 14.568 3.875 191 HG LEU 28 HG LEU 28 4.829 15.147 4.946 192 1HD1 LEU 28 1HD1 LEU 28 7.195 13.576 6.145 193 2HD1 LEU 28 2HD1 LEU 28 5.719 12.846 5.412 194 3HD1 LEU 28 3HD1 LEU 28 5.584 13.838 6.909 195 1HD2 LEU 28 1HD2 LEU 28 7.562 16.171 5.940 196 2HD2 LEU 28 2HD2 LEU 28 6.021 16.282 6.860 197 3HD2 LEU 28 3HD2 LEU 28 6.190 17.173 5.306 198 H ASP 29 H ASP 29 5.290 15.430 0.657 199 HA ASP 29 HA ASP 29 5.627 15.399 -1.424 200 1HB ASP 29 2HB ASP 29 7.134 17.358 -0.936 201 2HB ASP 29 1HB ASP 29 8.530 16.231 -1.034 202 H LYS 30 H LYS 30 6.459 13.236 0.539 203 HA LYS 30 HA LYS 30 7.601 11.351 -1.427 204 1HB LYS 30 2HB LYS 30 7.927 11.395 1.635 205 2HB LYS 30 1HB LYS 30 8.568 10.134 0.545 206 1HG LYS 30 2HG LYS 30 9.498 13.043 0.747 207 2HG LYS 30 1HG LYS 30 10.373 11.535 1.174 208 1HD LYS 30 2HD LYS 30 9.979 10.864 -1.348 209 2HD LYS 30 1HD LYS 30 9.600 12.595 -1.591 210 1HE LYS 30 2HE LYS 30 12.274 11.410 -0.532 211 2HE LYS 30 1HE LYS 30 11.957 12.030 -2.202 212 1HZ LYS 30 1HZ LYS 30 12.009 13.583 0.335 213 2HZ LYS 30 2HZ LYS 30 11.438 14.192 -1.168 214 3HZ LYS 30 3HZ LYS 30 13.042 13.688 -0.990 215 H TYR 31 H TYR 31 7.105 9.157 -1.181 216 HA TYR 31 HA TYR 31 4.600 8.678 0.200 217 1HB TYR 31 2HB TYR 31 3.689 7.289 -1.525 218 2HB TYR 31 1HB TYR 31 3.920 8.989 -2.023 219 HD1 TYR 31 1HD TYR 31 3.152 7.349 -3.862 220 HD2 TYR 31 2HD TYR 31 7.156 7.904 -2.565 221 HE1 TYR 31 1HE TYR 31 3.940 6.728 -6.080 222 HE2 TYR 31 2HE TYR 31 7.966 7.227 -4.763 223 HH TYR 31 HH TYR 31 7.231 6.064 -6.801 224 H ALA 32 H ALA 32 4.035 6.528 0.685 225 HA ALA 32 HA ALA 32 6.152 4.567 0.602 226 1HB ALA 32 1HB ALA 32 6.520 5.715 2.813 227 2HB ALA 32 2HB ALA 32 5.890 4.046 3.062 228 3HB ALA 32 3HB ALA 32 4.785 5.467 3.224 229 H CYS 33 H CYS 33 5.334 2.410 0.943 230 HA CYS 33 HA CYS 33 2.441 2.231 1.197 231 1HB CYS 33 2HB CYS 33 3.165 1.750 -1.232 232 2HB CYS 33 1HB CYS 33 4.018 0.318 -0.598 233 H ASN 34 H ASN 34 1.906 0.922 2.898 234 HA ASN 34 HA ASN 34 4.011 -0.940 3.811 235 1HB ASN 34 2HB ASN 34 1.780 0.381 5.443 236 2HB ASN 34 1HB ASN 34 2.916 -0.874 6.060 237 1HD2 ASN 34 1HD2 ASN 34 5.352 0.054 4.803 238 2HD2 ASN 34 2HD2 ASN 34 5.750 1.590 5.529 239 H CYS 35 H CYS 35 3.611 -3.038 3.989 240 HA CYS 35 HA CYS 35 0.850 -3.905 3.428 241 1HB CYS 35 2HB CYS 35 3.528 -4.937 2.426 242 2HB CYS 35 1HB CYS 35 2.144 -6.058 2.573 243 H VAL 36 H VAL 36 0.385 -6.082 4.135 244 HA VAL 36 HA VAL 36 0.890 -6.341 6.931 245 HB VAL 36 HB VAL 36 -0.749 -8.368 6.419 246 1HG1 VAL 36 1HG1 VAL 36 -2.639 -6.768 6.600 247 2HG1 VAL 36 2HG1 VAL 36 -1.557 -5.395 6.161 248 3HG1 VAL 36 3HG1 VAL 36 -1.304 -6.292 7.706 249 1HG2 VAL 36 1HG2 VAL 36 -2.026 -8.184 4.429 250 2HG2 VAL 36 2HG2 VAL 36 -0.320 -8.097 3.868 251 3HG2 VAL 36 3HG2 VAL 36 -1.335 -6.601 3.970 252 H VAL 37 H VAL 37 1.126 -8.659 7.786 253 HA VAL 37 HA VAL 37 3.591 -9.560 6.910 254 HB VAL 37 HB VAL 37 1.638 -10.663 8.888 255 1HG1 VAL 37 1HG1 VAL 37 4.453 -11.723 8.144 256 2HG1 VAL 37 2HG1 VAL 37 2.903 -12.652 8.056 257 3HG1 VAL 37 3HG1 VAL 37 3.558 -12.135 9.642 258 1HG2 VAL 37 1HG2 VAL 37 3.464 -9.856 10.436 259 2HG2 VAL 37 2HG2 VAL 37 2.869 -8.498 9.408 260 3HG2 VAL 37 3HG2 VAL 37 4.424 -9.309 9.025 261 H GLY 38 H GLY 38 4.211 -10.784 5.389 262 1HA GLY 38 2HA GLY 38 4.357 -12.487 3.979 263 2HA GLY 38 1HA GLY 38 2.824 -13.155 4.624 264 H TYR 39 H TYR 39 3.104 -9.923 3.193 265 HA TYR 39 HA TYR 39 2.143 -11.018 0.653 266 1HB TYR 39 2HB TYR 39 1.111 -8.594 2.184 267 2HB TYR 39 1HB TYR 39 1.142 -8.561 0.382 268 HD1 TYR 39 1HD TYR 39 -0.446 -10.150 3.299 269 HD2 TYR 39 2HD TYR 39 -0.062 -10.123 -0.932 270 HE1 TYR 39 1HE TYR 39 -2.461 -11.503 3.111 271 HE2 TYR 39 2HE TYR 39 -2.079 -11.493 -1.129 272 HH TYR 39 HH TYR 39 -4.132 -12.137 1.573 273 H ILE 40 H ILE 40 3.579 -10.832 -0.843 274 HA ILE 40 HA ILE 40 5.969 -9.277 -0.152 275 HB ILE 40 HB ILE 40 7.236 -11.150 -1.183 276 1HG1 ILE 40 2HG1 ILE 40 4.603 -12.715 -0.967 277 2HG1 ILE 40 1HG1 ILE 40 5.192 -12.012 -2.506 278 1HG2 ILE 40 1HG2 ILE 40 7.017 -10.868 1.253 279 2HG2 ILE 40 2HG2 ILE 40 7.042 -12.604 0.802 280 3HG2 ILE 40 3HG2 ILE 40 5.484 -11.826 1.256 281 1HD1 ILE 40 1HD1 ILE 40 6.650 -14.125 -0.794 282 2HD1 ILE 40 2HD1 ILE 40 7.362 -13.317 -2.235 283 3HD1 ILE 40 3HD1 ILE 40 5.901 -14.349 -2.415 284 H GLY 41 H GLY 41 7.546 -9.060 -1.911 285 1HA GLY 41 2HA GLY 41 8.009 -8.854 -4.154 286 2HA GLY 41 1HA GLY 41 6.271 -8.562 -4.509 287 H GLU 42 H GLU 42 8.264 -6.897 -5.480 288 HA GLU 42 HA GLU 42 8.894 -4.698 -3.911 289 1HB GLU 42 2HB GLU 42 9.957 -5.467 -6.067 290 2HB GLU 42 1HB GLU 42 8.484 -5.016 -6.945 291 1HG GLU 42 2HG GLU 42 10.158 -3.296 -7.288 292 2HG GLU 42 1HG GLU 42 8.854 -2.582 -6.285 293 H ARG 43 H ARG 43 6.288 -5.254 -6.206 294 HA ARG 43 HA ARG 43 4.927 -2.790 -5.541 295 1HB ARG 43 2HB ARG 43 3.526 -3.386 -7.463 296 2HB ARG 43 1HB ARG 43 5.256 -3.482 -7.846 297 1HG ARG 43 2HG ARG 43 5.029 -6.054 -7.242 298 2HG ARG 43 1HG ARG 43 3.289 -5.801 -7.506 299 1HD ARG 43 2HD ARG 43 3.683 -5.139 -9.853 300 2HD ARG 43 1HD ARG 43 5.468 -5.011 -9.555 301 HE ARG 43 HE ARG 43 4.885 -7.624 -8.806 302 1HH1 ARG 43 1HH1 ARG 43 4.992 -5.693 -11.797 303 2HH1 ARG 43 2HH1 ARG 43 5.300 -7.087 -12.775 304 1HH2 ARG 43 1HH2 ARG 43 5.095 -9.464 -10.225 305 2HH2 ARG 43 2HH2 ARG 43 5.127 -9.211 -11.930 306 H CYS 44 H CYS 44 5.179 -5.455 -3.850 307 HA CYS 44 HA CYS 44 4.025 -6.710 -2.551 308 1HB CYS 44 2HB CYS 44 3.886 -4.500 -1.458 309 2HB CYS 44 1HB CYS 44 2.273 -4.264 -2.194 310 H GLN 45 H GLN 45 3.435 -8.165 -4.291 311 HA GLN 45 HA GLN 45 0.569 -7.983 -4.944 312 1HB GLN 45 2HB GLN 45 2.446 -7.722 -6.733 313 2HB GLN 45 1HB GLN 45 2.588 -9.495 -6.611 314 1HG GLN 45 2HG GLN 45 0.002 -9.576 -7.009 315 2HG GLN 45 1HG GLN 45 0.091 -7.802 -7.319 316 1HE2 GLN 45 1HE2 GLN 45 1.654 -7.126 -9.136 317 2HE2 GLN 45 2HE2 GLN 45 1.726 -8.203 -10.506 318 H TYR 46 H TYR 46 3.093 -10.450 -4.129 319 HA TYR 46 HA TYR 46 0.995 -12.434 -4.421 320 1HB TYR 46 2HB TYR 46 3.824 -13.228 -3.731 321 2HB TYR 46 1HB TYR 46 2.618 -14.045 -4.766 322 HD1 TYR 46 1HD TYR 46 1.976 -12.573 -6.941 323 HD2 TYR 46 2HD TYR 46 5.596 -12.298 -4.728 324 HE1 TYR 46 1HE TYR 46 3.104 -11.624 -8.895 325 HE2 TYR 46 2HE TYR 46 6.732 -11.383 -6.680 326 HH TYR 46 HH TYR 46 6.486 -11.287 -9.114 327 H ARG 47 H ARG 47 0.948 -14.295 -2.765 328 HA ARG 47 HA ARG 47 1.450 -13.187 -0.094 329 1HB ARG 47 2HB ARG 47 -0.146 -14.734 0.810 330 2HB ARG 47 1HB ARG 47 -0.879 -13.649 -0.398 331 1HG ARG 47 2HG ARG 47 -1.035 -15.394 -2.059 332 2HG ARG 47 1HG ARG 47 0.036 -16.480 -1.129 333 1HD ARG 47 2HD ARG 47 -2.196 -17.297 -0.907 334 2HD ARG 47 1HD ARG 47 -1.717 -16.627 0.704 335 HE ARG 47 HE ARG 47 -2.961 -14.454 -0.140 336 1HH1 ARG 47 1HH1 ARG 47 -4.037 -17.783 -1.045 337 2HH1 ARG 47 2HH1 ARG 47 -5.686 -17.345 -1.013 338 1HH2 ARG 47 1HH2 ARG 47 -5.152 -13.954 -0.161 339 2HH2 ARG 47 2HH2 ARG 47 -6.343 -15.212 -0.419 340 H ASP 48 H ASP 48 2.436 -14.383 1.506 341 HA ASP 48 HA ASP 48 3.954 -16.685 0.562 342 1HB ASP 48 2HB ASP 48 4.933 -14.579 1.829 343 2HB ASP 48 1HB ASP 48 4.316 -15.398 3.307 344 H LEU 49 H LEU 49 2.525 -18.289 0.423 345 HA LEU 49 HA LEU 49 0.387 -18.419 2.248 346 1HB LEU 49 2HB LEU 49 -0.422 -20.234 0.681 347 2HB LEU 49 1HB LEU 49 -0.201 -18.588 0.051 348 HG LEU 49 HG LEU 49 1.935 -19.216 -1.037 349 1HD1 LEU 49 1HD1 LEU 49 2.724 -21.126 0.361 350 2HD1 LEU 49 2HD1 LEU 49 2.465 -21.666 -1.337 351 3HD1 LEU 49 3HD1 LEU 49 1.245 -22.068 -0.077 352 1HD2 LEU 49 1HD2 LEU 49 -0.468 -21.005 -1.742 353 2HD2 LEU 49 2HD2 LEU 49 0.892 -20.560 -2.836 354 3HD2 LEU 49 3HD2 LEU 49 -0.242 -19.289 -2.250 355 H LYS 50 H LYS 50 3.037 -19.229 3.341 356 HA LYS 50 HA LYS 50 3.129 -21.983 3.674 357 1HB LYS 50 2HB LYS 50 4.394 -19.608 5.084 358 2HB LYS 50 1HB LYS 50 4.577 -21.259 5.762 359 1HG LYS 50 2HG LYS 50 6.480 -20.830 4.497 360 2HG LYS 50 1HG LYS 50 5.539 -22.079 3.629 361 1HD LYS 50 2HD LYS 50 4.803 -20.415 1.954 362 2HD LYS 50 1HD LYS 50 5.498 -19.077 2.949 363 1HE LYS 50 2HE LYS 50 7.788 -20.027 2.646 364 2HE LYS 50 1HE LYS 50 7.111 -21.349 1.608 365 1HZ LYS 50 1HZ LYS 50 6.856 -18.424 1.045 366 2HZ LYS 50 2HZ LYS 50 6.313 -19.675 0.069 367 3HZ LYS 50 3HZ LYS 50 7.976 -19.461 0.312 368 H TRP 51 H TRP 51 1.894 -19.534 5.953 369 HA TRP 51 HA TRP 51 0.868 -21.604 7.666 370 1HB TRP 51 2HB TRP 51 0.079 -19.722 9.066 371 2HB TRP 51 1HB TRP 51 1.834 -19.693 8.717 372 HD1 TRP 51 HD TRP 51 -1.316 -17.545 8.209 373 HE1 TRP 51 1HE TRP 51 -0.519 -15.229 7.350 374 HE3 TRP 51 3HE TRP 51 3.546 -18.668 7.249 375 HZ2 TRP 51 2HZ TRP 51 1.815 -14.106 6.346 376 HZ3 TRP 51 3HZ TRP 51 4.997 -16.932 6.323 377 HH2 TRP 51 HH TRP 51 4.175 -14.691 5.905 378 H TRP 52 H TRP 52 -0.340 -19.594 5.151 379 HA TRP 52 HA TRP 52 -3.067 -19.646 5.668 380 1HB TRP 52 2HB TRP 52 -1.488 -19.612 3.045 381 2HB TRP 52 1HB TRP 52 -3.266 -19.494 3.085 382 HD1 TRP 52 HD TRP 52 -0.237 -17.315 4.405 383 HE1 TRP 52 1HE TRP 52 -1.018 -14.881 4.178 384 HE3 TRP 52 3HE TRP 52 -5.058 -18.150 3.020 385 HZ2 TRP 52 2HZ TRP 52 -3.429 -13.512 3.690 386 HZ3 TRP 52 3HZ TRP 52 -6.545 -16.240 2.720 387 HH2 TRP 52 HH TRP 52 -5.759 -13.964 3.052 388 H GLU 53 H GLU 53 -1.242 -21.881 3.563 389 HA GLU 53 HA GLU 53 -3.527 -23.720 3.611 390 1HB GLU 53 2HB GLU 53 -1.020 -23.540 1.877 391 2HB GLU 53 1HB GLU 53 -2.215 -24.860 1.750 392 1HG GLU 53 2HG GLU 53 -2.925 -21.882 1.312 393 2HG GLU 53 1HG GLU 53 -2.425 -23.021 0.016 394 H LEU 54 H LEU 54 -2.811 -23.929 5.990 395 HA LEU 54 HA LEU 54 -1.007 -26.234 6.122 396 1HB LEU 54 2HB LEU 54 0.158 -24.087 6.817 397 2HB LEU 54 1HB LEU 54 -1.082 -23.886 8.084 398 HG LEU 54 HG LEU 54 -0.330 -26.070 9.110 399 1HD1 LEU 54 1HD1 LEU 54 1.893 -27.019 8.436 400 2HD1 LEU 54 2HD1 LEU 54 1.941 -25.903 7.022 401 3HD1 LEU 54 3HD1 LEU 54 0.680 -27.198 7.122 402 1HD2 LEU 54 1HD2 LEU 54 0.519 -23.877 9.931 403 2HD2 LEU 54 2HD2 LEU 54 1.865 -23.933 8.729 404 3HD2 LEU 54 3HD2 LEU 54 1.788 -25.150 10.061 Start of MODEL 20 1 1H VAL 1 1HT VAL 1 8.458 15.438 6.179 2 2H VAL 1 2HT VAL 1 9.171 16.326 7.384 3 3H VAL 1 3HT VAL 1 7.718 16.825 6.793 4 HA VAL 1 HA VAL 1 8.119 14.255 8.186 5 HB VAL 1 HB VAL 1 8.912 16.066 9.567 6 1HG1 VAL 1 1HG1 VAL 1 6.057 17.236 9.346 7 2HG1 VAL 1 2HG1 VAL 1 7.551 17.969 8.647 8 3HG1 VAL 1 3HG1 VAL 1 7.376 17.802 10.420 9 1HG2 VAL 1 1HG2 VAL 1 7.679 15.595 11.580 10 2HG2 VAL 1 2HG2 VAL 1 7.799 14.074 10.632 11 3HG2 VAL 1 3HG2 VAL 1 6.249 15.005 10.683 12 H VAL 2 H VAL 2 6.247 13.070 8.799 13 HA VAL 2 HA VAL 2 3.839 13.812 7.412 14 HB VAL 2 HB VAL 2 4.549 11.378 9.074 15 1HG1 VAL 2 1HG1 VAL 2 2.091 12.078 7.325 16 2HG1 VAL 2 2HG1 VAL 2 2.089 11.665 9.081 17 3HG1 VAL 2 3HG1 VAL 2 2.502 10.413 7.872 18 1HG2 VAL 2 1HG2 VAL 2 4.652 10.252 6.832 19 2HG2 VAL 2 2HG2 VAL 2 5.918 11.510 7.009 20 3HG2 VAL 2 3HG2 VAL 2 4.438 11.846 6.026 21 H SER 3 H SER 3 2.399 15.129 8.396 22 HA SER 3 HA SER 3 1.798 14.566 11.223 23 1HB SER 3 2HB SER 3 1.451 17.208 9.706 24 2HB SER 3 1HB SER 3 0.899 16.883 11.389 25 HG SER 3 HG SER 3 3.016 16.674 12.011 26 H HIS 4 H HIS 4 0.446 15.610 8.061 27 HA HIS 4 HA HIS 4 -2.179 14.757 9.043 28 1HB HIS 4 2HB HIS 4 -1.609 16.368 6.519 29 2HB HIS 4 1HB HIS 4 -3.186 16.117 7.340 30 HD1 HIS 4 1HD HIS 4 -2.602 17.011 10.176 31 HD2 HIS 4 2HD HIS 4 -1.019 18.972 6.821 32 HE1 HIS 4 1HE HIS 4 -2.055 19.358 10.895 33 HE2 HIS 4 2HE HIS 4 -1.151 20.530 8.862 34 H PHE 5 H PHE 5 -3.344 13.162 8.115 35 HA PHE 5 HA PHE 5 -2.074 11.673 5.951 36 1HB PHE 5 2HB PHE 5 -2.707 10.615 8.230 37 2HB PHE 5 1HB PHE 5 -4.416 10.823 7.755 38 HD1 PHE 5 1HD PHE 5 -5.382 9.300 6.202 39 HD2 PHE 5 2HD PHE 5 -1.191 9.238 6.881 40 HE1 PHE 5 1HE PHE 5 -5.225 7.160 5.018 41 HE2 PHE 5 2HE PHE 5 -1.024 7.103 5.696 42 HZ PHE 5 HZ PHE 5 -3.042 6.060 4.759 43 H ASN 6 H ASN 6 -3.279 11.143 4.029 44 HA ASN 6 HA ASN 6 -5.848 12.479 3.733 45 1HB ASN 6 2HB ASN 6 -3.386 12.900 1.931 46 2HB ASN 6 1HB ASN 6 -5.049 13.411 1.474 47 1HD2 ASN 6 1HD2 ASN 6 -6.152 15.006 2.915 48 2HD2 ASN 6 2HD2 ASN 6 -5.149 16.140 3.801 49 H ASP 7 H ASP 7 -6.980 11.867 1.784 50 HA ASP 7 HA ASP 7 -6.227 9.224 0.788 51 1HB ASP 7 2HB ASP 7 -8.851 10.821 0.706 52 2HB ASP 7 1HB ASP 7 -8.606 9.259 -0.162 53 H CYS 8 H CYS 8 -6.386 8.801 -1.468 54 HA CYS 8 HA CYS 8 -5.449 11.091 -3.058 55 1HB CYS 8 2HB CYS 8 -3.902 9.417 -4.122 56 2HB CYS 8 1HB CYS 8 -3.569 9.840 -2.424 57 HA PRO 9 HA PRO 9 -8.800 8.827 -5.142 58 1HB PRO 9 2HB PRO 9 -10.420 10.908 -6.010 59 2HB PRO 9 1HB PRO 9 -10.445 10.266 -4.326 60 1HG PRO 9 2HG PRO 9 -8.894 12.709 -5.350 61 2HG PRO 9 1HG PRO 9 -9.991 12.601 -3.905 62 1HD PRO 9 2HD PRO 9 -7.250 12.307 -3.638 63 2HD PRO 9 1HD PRO 9 -8.402 11.271 -2.678 64 H LEU 10 H LEU 10 -6.795 11.437 -6.360 65 HA LEU 10 HA LEU 10 -7.461 11.083 -9.075 66 1HB LEU 10 2HB LEU 10 -4.913 12.308 -7.895 67 2HB LEU 10 1HB LEU 10 -5.527 12.459 -9.562 68 HG LEU 10 HG LEU 10 -7.696 13.452 -8.325 69 1HD1 LEU 10 1HD1 LEU 10 -7.000 14.925 -6.406 70 2HD1 LEU 10 2HD1 LEU 10 -5.367 14.173 -6.419 71 3HD1 LEU 10 3HD1 LEU 10 -6.804 13.189 -5.963 72 1HD2 LEU 10 1HD2 LEU 10 -5.076 14.985 -8.856 73 2HD2 LEU 10 2HD2 LEU 10 -6.714 15.729 -8.722 74 3HD2 LEU 10 3HD2 LEU 10 -6.351 14.587 -10.067 75 H SER 11 H SER 11 -5.188 9.512 -6.918 76 HA SER 11 HA SER 11 -3.517 8.445 -8.874 77 1HB SER 11 2HB SER 11 -4.164 7.486 -6.039 78 2HB SER 11 1HB SER 11 -2.948 6.685 -7.083 79 HG SER 11 HG SER 11 -1.848 8.087 -5.955 80 H HIS 12 H HIS 12 -4.096 7.185 -10.500 81 HA HIS 12 HA HIS 12 -5.890 4.925 -10.005 82 1HB HIS 12 2HB HIS 12 -4.573 5.768 -12.641 83 2HB HIS 12 1HB HIS 12 -5.868 4.552 -12.404 84 HD1 HIS 12 1HD HIS 12 -5.196 8.260 -12.225 85 HD2 HIS 12 2HD HIS 12 -8.492 5.686 -12.245 86 HE1 HIS 12 1HE HIS 12 -7.246 9.706 -12.533 87 HE2 HIS 12 2HE HIS 12 -9.206 8.153 -12.496 88 H ASP 13 H ASP 13 -4.570 3.531 -8.722 89 HA ASP 13 HA ASP 13 -1.825 3.346 -9.311 90 1HB ASP 13 2HB ASP 13 -3.596 1.677 -7.452 91 2HB ASP 13 1HB ASP 13 -1.787 1.633 -7.484 92 H GLY 14 H GLY 14 -0.599 1.499 -9.730 93 1HA GLY 14 2HA GLY 14 -1.781 -0.751 -11.072 94 2HA GLY 14 1HA GLY 14 -1.042 0.469 -12.168 95 H TYR 15 H TYR 15 1.015 1.040 -9.996 96 HA TYR 15 HA TYR 15 2.871 -1.000 -10.773 97 1HB TYR 15 2HB TYR 15 3.255 1.557 -10.795 98 2HB TYR 15 1HB TYR 15 3.251 1.502 -9.002 99 HD1 TYR 15 1HD TYR 15 4.794 -0.103 -12.000 100 HD2 TYR 15 2HD TYR 15 5.297 1.100 -7.955 101 HE1 TYR 15 1HE TYR 15 7.146 -0.762 -12.097 102 HE2 TYR 15 2HE TYR 15 7.663 0.481 -8.061 103 HH TYR 15 HH TYR 15 9.326 -0.367 -9.321 104 H CYS 16 H CYS 16 1.219 0.170 -7.838 105 HA CYS 16 HA CYS 16 2.534 -1.888 -6.254 106 1HB CYS 16 2HB CYS 16 0.403 0.176 -5.527 107 2HB CYS 16 1HB CYS 16 1.153 -0.988 -4.382 108 H LEU 17 H LEU 17 1.874 -3.905 -6.601 109 HA LEU 17 HA LEU 17 -0.621 -4.326 -7.881 110 1HB LEU 17 2HB LEU 17 1.502 -6.335 -7.021 111 2HB LEU 17 1HB LEU 17 0.230 -6.592 -8.257 112 HG LEU 17 HG LEU 17 2.551 -4.576 -8.445 113 1HD1 LEU 17 1HD1 LEU 17 3.320 -6.946 -8.524 114 2HD1 LEU 17 2HD1 LEU 17 3.535 -6.086 -10.095 115 3HD1 LEU 17 3HD1 LEU 17 2.174 -7.259 -9.890 116 1HD2 LEU 17 1HD2 LEU 17 1.917 -4.348 -10.829 117 2HD2 LEU 17 2HD2 LEU 17 0.588 -3.792 -9.762 118 3HD2 LEU 17 3HD2 LEU 17 0.475 -5.408 -10.572 119 H HIS 18 H HIS 18 -1.882 -6.362 -7.284 120 HA HIS 18 HA HIS 18 -3.362 -7.231 -5.958 121 1HB HIS 18 2HB HIS 18 -1.259 -8.279 -5.121 122 2HB HIS 18 1HB HIS 18 -1.208 -7.090 -3.803 123 HD1 HIS 18 1HD HIS 18 -2.488 -7.676 -1.768 124 HD2 HIS 18 2HD HIS 18 -3.460 -10.222 -4.945 125 HE1 HIS 18 1HE HIS 18 -3.840 -9.594 -0.791 126 HE2 HIS 18 2HE HIS 18 -4.428 -11.087 -2.748 127 H ASP 19 H ASP 19 -3.450 -4.448 -6.255 128 HA ASP 19 HA ASP 19 -4.207 -2.586 -5.578 129 1HB ASP 19 2HB ASP 19 -6.157 -4.251 -3.946 130 2HB ASP 19 1HB ASP 19 -6.361 -2.513 -4.382 131 H GLY 20 H GLY 20 -2.191 -2.015 -4.650 132 1HA GLY 20 2HA GLY 20 -1.780 -2.105 -1.886 133 2HA GLY 20 1HA GLY 20 -0.998 -1.027 -3.094 134 H VAL 21 H VAL 21 -1.750 -0.470 -0.282 135 HA VAL 21 HA VAL 21 -3.937 1.373 -0.499 136 HB VAL 21 HB VAL 21 -2.080 0.708 1.805 137 1HG1 VAL 21 1HG1 VAL 21 -3.227 2.944 2.055 138 2HG1 VAL 21 2HG1 VAL 21 -3.904 1.733 3.196 139 3HG1 VAL 21 3HG1 VAL 21 -4.807 2.166 1.697 140 1HG2 VAL 21 1HG2 VAL 21 -3.348 -1.315 1.073 141 2HG2 VAL 21 2HG2 VAL 21 -4.882 -0.369 1.062 142 3HG2 VAL 21 3HG2 VAL 21 -4.010 -0.686 2.613 143 H CYS 22 H CYS 22 -3.686 3.534 -0.824 144 HA CYS 22 HA CYS 22 -0.965 4.410 -1.425 145 1HB CYS 22 2HB CYS 22 -2.239 4.476 -3.358 146 2HB CYS 22 1HB CYS 22 -3.717 4.899 -2.490 147 H MET 23 H MET 23 0.048 5.820 -0.190 148 HA MET 23 HA MET 23 -1.590 7.705 1.351 149 1HB MET 23 2HB MET 23 0.067 7.651 3.146 150 2HB MET 23 1HB MET 23 -0.904 6.171 2.928 151 1HG MET 23 2HG MET 23 1.049 5.111 1.683 152 2HG MET 23 1HG MET 23 2.032 6.537 2.135 153 1HE MET 23 1HE MET 23 2.868 3.657 2.645 154 2HE MET 23 2HE MET 23 3.403 3.628 4.362 155 3HE MET 23 3HE MET 23 3.837 5.019 3.319 156 H TYR 24 H TYR 24 -1.498 9.472 0.214 157 HA TYR 24 HA TYR 24 1.102 10.594 -0.517 158 1HB TYR 24 2HB TYR 24 -0.512 10.549 -2.377 159 2HB TYR 24 1HB TYR 24 -1.776 11.243 -1.310 160 HD1 TYR 24 1HD TYR 24 -2.315 12.714 -2.910 161 HD2 TYR 24 2HD TYR 24 1.638 12.794 -1.327 162 HE1 TYR 24 1HE TYR 24 -2.058 14.978 -3.691 163 HE2 TYR 24 2HE TYR 24 1.909 15.064 -2.102 164 HH TYR 24 HH TYR 24 0.941 16.854 -3.136 165 H ILE 25 H ILE 25 2.039 11.735 1.097 166 HA ILE 25 HA ILE 25 0.302 13.354 2.801 167 HB ILE 25 HB ILE 25 3.127 12.310 3.111 168 1HG1 ILE 25 2HG1 ILE 25 1.759 11.446 5.293 169 2HG1 ILE 25 1HG1 ILE 25 0.414 11.424 4.127 170 1HG2 ILE 25 1HG2 ILE 25 1.387 14.085 4.951 171 2HG2 ILE 25 2HG2 ILE 25 2.903 14.590 4.090 172 3HG2 ILE 25 3HG2 ILE 25 2.978 13.352 5.387 173 1HD1 ILE 25 1HD1 ILE 25 3.152 9.992 3.807 174 2HD1 ILE 25 2HD1 ILE 25 1.789 9.880 2.638 175 3HD1 ILE 25 3HD1 ILE 25 1.611 9.210 4.296 176 H GLU 26 H GLU 26 0.232 15.427 2.377 177 HA GLU 26 HA GLU 26 1.416 16.627 0.211 178 1HB GLU 26 2HB GLU 26 -0.684 17.398 1.295 179 2HB GLU 26 1HB GLU 26 0.185 17.629 2.827 180 1HG GLU 26 2HG GLU 26 1.561 19.516 1.546 181 2HG GLU 26 1HG GLU 26 0.267 19.393 0.317 182 H ALA 27 H ALA 27 2.342 16.986 3.648 183 HA ALA 27 HA ALA 27 4.327 18.812 3.315 184 1HB ALA 27 1HB ALA 27 5.105 17.997 5.561 185 2HB ALA 27 2HB ALA 27 4.115 16.512 5.335 186 3HB ALA 27 3HB ALA 27 3.311 18.130 5.479 187 H LEU 28 H LEU 28 4.532 15.452 2.402 188 HA LEU 28 HA LEU 28 7.429 15.495 2.475 189 1HB LEU 28 2HB LEU 28 5.574 13.380 1.266 190 2HB LEU 28 1HB LEU 28 7.308 13.209 1.687 191 HG LEU 28 HG LEU 28 4.897 13.461 3.556 192 1HD1 LEU 28 1HD1 LEU 28 5.541 11.128 4.197 193 2HD1 LEU 28 2HD1 LEU 28 6.934 11.190 3.054 194 3HD1 LEU 28 3HD1 LEU 28 5.250 11.251 2.426 195 1HD2 LEU 28 1HD2 LEU 28 7.862 13.267 4.355 196 2HD2 LEU 28 2HD2 LEU 28 6.453 13.107 5.468 197 3HD2 LEU 28 3HD2 LEU 28 6.751 14.676 4.650 198 H ASP 29 H ASP 29 4.822 16.081 0.313 199 HA ASP 29 HA ASP 29 4.402 16.263 -1.735 200 1HB ASP 29 2HB ASP 29 7.402 16.739 -2.128 201 2HB ASP 29 1HB ASP 29 6.206 16.841 -3.464 202 H LYS 30 H LYS 30 5.413 13.629 -0.516 203 HA LYS 30 HA LYS 30 5.641 12.137 -3.037 204 1HB LYS 30 2HB LYS 30 6.957 11.472 -0.342 205 2HB LYS 30 1HB LYS 30 7.109 10.526 -1.850 206 1HG LYS 30 2HG LYS 30 8.298 13.287 -1.261 207 2HG LYS 30 1HG LYS 30 9.141 11.725 -1.482 208 1HD LYS 30 2HD LYS 30 8.142 11.679 -3.874 209 2HD LYS 30 1HD LYS 30 7.611 13.367 -3.558 210 1HE LYS 30 2HE LYS 30 10.061 14.013 -3.171 211 2HE LYS 30 1HE LYS 30 10.527 12.327 -3.643 212 1HZ LYS 30 1HZ LYS 30 9.058 14.323 -5.312 213 2HZ LYS 30 2HZ LYS 30 9.309 12.708 -5.738 214 3HZ LYS 30 3HZ LYS 30 10.615 13.738 -5.579 215 H TYR 31 H TYR 31 5.086 9.864 -2.908 216 HA TYR 31 HA TYR 31 3.213 9.233 -0.788 217 1HB TYR 31 2HB TYR 31 2.039 7.820 -2.824 218 2HB TYR 31 1HB TYR 31 1.491 9.393 -2.232 219 HD1 TYR 31 1HD TYR 31 2.140 11.462 -3.367 220 HD2 TYR 31 2HD TYR 31 2.815 7.629 -5.058 221 HE1 TYR 31 1HE TYR 31 2.086 12.450 -5.592 222 HE2 TYR 31 2HE TYR 31 2.799 8.610 -7.297 223 HH TYR 31 HH TYR 31 1.822 11.953 -7.791 224 H ALA 32 H ALA 32 2.780 6.935 -0.618 225 HA ALA 32 HA ALA 32 4.746 5.197 -1.827 226 1HB ALA 32 1HB ALA 32 5.887 5.951 0.282 227 2HB ALA 32 2HB ALA 32 5.449 4.213 0.389 228 3HB ALA 32 3HB ALA 32 4.446 5.461 1.231 229 H CYS 33 H CYS 33 4.255 2.859 -0.913 230 HA CYS 33 HA CYS 33 1.332 2.557 -0.825 231 1HB CYS 33 2HB CYS 33 3.450 0.754 -2.092 232 2HB CYS 33 1HB CYS 33 1.720 0.312 -1.900 233 H ASN 34 H ASN 34 0.471 1.245 0.687 234 HA ASN 34 HA ASN 34 2.297 -0.334 2.367 235 1HB ASN 34 2HB ASN 34 1.307 1.694 3.530 236 2HB ASN 34 1HB ASN 34 -0.330 1.057 3.195 237 1HD2 ASN 34 1HD2 ASN 34 -1.139 -0.555 4.606 238 2HD2 ASN 34 2HD2 ASN 34 -0.242 -1.143 5.975 239 H CYS 35 H CYS 35 1.482 -2.492 2.890 240 HA CYS 35 HA CYS 35 -0.853 -3.255 1.283 241 1HB CYS 35 2HB CYS 35 1.791 -4.743 1.604 242 2HB CYS 35 1HB CYS 35 0.345 -5.407 0.782 243 H VAL 36 H VAL 36 -1.507 -5.581 1.911 244 HA VAL 36 HA VAL 36 -2.051 -5.479 4.739 245 HB VAL 36 HB VAL 36 -3.601 -7.418 4.056 246 1HG1 VAL 36 1HG1 VAL 36 -4.002 -4.574 2.928 247 2HG1 VAL 36 2HG1 VAL 36 -4.322 -5.088 4.630 248 3HG1 VAL 36 3HG1 VAL 36 -5.288 -5.785 3.279 249 1HG2 VAL 36 1HG2 VAL 36 -2.354 -7.747 1.790 250 2HG2 VAL 36 2HG2 VAL 36 -3.152 -6.225 1.246 251 3HG2 VAL 36 3HG2 VAL 36 -4.151 -7.632 1.725 252 H VAL 37 H VAL 37 -2.235 -7.604 5.896 253 HA VAL 37 HA VAL 37 0.376 -8.665 5.950 254 HB VAL 37 HB VAL 37 -2.095 -9.416 7.531 255 1HG1 VAL 37 1HG1 VAL 37 -0.383 -10.258 9.194 256 2HG1 VAL 37 2HG1 VAL 37 0.916 -9.983 7.982 257 3HG1 VAL 37 3HG1 VAL 37 -0.364 -11.218 7.682 258 1HG2 VAL 37 1HG2 VAL 37 -1.508 -7.005 7.822 259 2HG2 VAL 37 2HG2 VAL 37 0.220 -7.448 8.088 260 3HG2 VAL 37 3HG2 VAL 37 -1.035 -7.946 9.277 261 H GLY 38 H GLY 38 1.163 -10.514 5.247 262 1HA GLY 38 2HA GLY 38 1.156 -12.707 4.727 263 2HA GLY 38 1HA GLY 38 -0.581 -12.624 4.259 264 H TYR 39 H TYR 39 1.388 -10.048 3.186 265 HA TYR 39 HA TYR 39 1.762 -11.213 0.547 266 1HB TYR 39 2HB TYR 39 0.123 -8.679 1.153 267 2HB TYR 39 1HB TYR 39 0.657 -9.172 -0.495 268 HD1 TYR 39 1HD TYR 39 -0.079 -11.365 -1.383 269 HD2 TYR 39 2HD TYR 39 -1.735 -9.740 2.166 270 HE1 TYR 39 1HE TYR 39 -1.982 -12.911 -1.565 271 HE2 TYR 39 2HE TYR 39 -3.637 -11.260 1.997 272 HH TYR 39 HH TYR 39 -4.564 -12.984 0.873 273 H ILE 40 H ILE 40 3.913 -10.912 0.267 274 HA ILE 40 HA ILE 40 5.043 -8.434 1.376 275 HB ILE 40 HB ILE 40 7.015 -9.547 2.025 276 1HG1 ILE 40 2HG1 ILE 40 5.690 -12.199 1.238 277 2HG1 ILE 40 1HG1 ILE 40 6.963 -11.380 0.264 278 1HG2 ILE 40 1HG2 ILE 40 4.531 -10.967 3.116 279 2HG2 ILE 40 2HG2 ILE 40 5.034 -9.287 3.549 280 3HG2 ILE 40 3HG2 ILE 40 6.092 -10.686 3.954 281 1HD1 ILE 40 1HD1 ILE 40 8.115 -13.003 1.639 282 2HD1 ILE 40 2HD1 ILE 40 7.258 -12.455 3.128 283 3HD1 ILE 40 3HD1 ILE 40 8.471 -11.388 2.335 284 H GLY 41 H GLY 41 7.235 -7.969 0.764 285 1HA GLY 41 2HA GLY 41 8.896 -7.720 -0.707 286 2HA GLY 41 1HA GLY 41 7.939 -8.505 -2.002 287 H GLU 42 H GLU 42 8.926 -6.537 -3.167 288 HA GLU 42 HA GLU 42 8.433 -3.980 -2.108 289 1HB GLU 42 2HB GLU 42 10.462 -4.721 -3.281 290 2HB GLU 42 1HB GLU 42 9.544 -4.912 -4.801 291 1HG GLU 42 2HG GLU 42 9.219 -2.504 -5.013 292 2HG GLU 42 1HG GLU 42 9.754 -2.211 -3.314 293 H ARG 43 H ARG 43 6.857 -5.923 -4.528 294 HA ARG 43 HA ARG 43 4.950 -3.748 -5.076 295 1HB ARG 43 2HB ARG 43 4.441 -5.084 -7.165 296 2HB ARG 43 1HB ARG 43 6.010 -4.262 -7.121 297 1HG ARG 43 2HG ARG 43 6.007 -7.112 -6.123 298 2HG ARG 43 1HG ARG 43 5.637 -6.881 -7.849 299 1HD ARG 43 2HD ARG 43 8.149 -5.655 -6.551 300 2HD ARG 43 1HD ARG 43 8.134 -7.299 -7.270 301 HE ARG 43 HE ARG 43 7.754 -4.697 -8.718 302 1HH1 ARG 43 1HH1 ARG 43 7.571 -8.266 -9.000 303 2HH1 ARG 43 2HH1 ARG 43 7.475 -8.201 -10.734 304 1HH2 ARG 43 1HH2 ARG 43 8.028 -4.746 -11.019 305 2HH2 ARG 43 2HH2 ARG 43 7.706 -6.237 -11.850 306 H CYS 44 H CYS 44 5.235 -6.105 -2.974 307 HA CYS 44 HA CYS 44 3.958 -7.431 -1.872 308 1HB CYS 44 2HB CYS 44 1.670 -5.704 -2.872 309 2HB CYS 44 1HB CYS 44 1.661 -6.737 -1.406 310 H GLN 45 H GLN 45 4.528 -8.545 -4.419 311 HA GLN 45 HA GLN 45 2.047 -9.758 -5.258 312 1HB GLN 45 2HB GLN 45 3.197 -10.725 -7.071 313 2HB GLN 45 1HB GLN 45 3.582 -8.964 -6.928 314 1HG GLN 45 2HG GLN 45 5.777 -9.995 -5.673 315 2HG GLN 45 1HG GLN 45 5.286 -11.471 -6.581 316 1HE2 GLN 45 1HE2 GLN 45 4.238 -9.972 -8.933 317 2HE2 GLN 45 2HE2 GLN 45 5.703 -9.502 -9.778 318 H TYR 46 H TYR 46 4.636 -10.675 -3.067 319 HA TYR 46 HA TYR 46 4.308 -13.468 -3.692 320 1HB TYR 46 2HB TYR 46 5.853 -12.160 -1.413 321 2HB TYR 46 1HB TYR 46 6.013 -13.868 -1.963 322 HD1 TYR 46 1HD TYR 46 8.183 -12.089 -1.498 323 HD2 TYR 46 2HD TYR 46 5.977 -12.708 -5.087 324 HE1 TYR 46 1HE TYR 46 10.102 -11.355 -2.801 325 HE2 TYR 46 2HE TYR 46 7.902 -12.001 -6.386 326 HH TYR 46 HH TYR 46 10.798 -10.690 -4.839 327 H ARG 47 H ARG 47 3.469 -15.049 -2.347 328 HA ARG 47 HA ARG 47 1.525 -14.070 -0.379 329 1HB ARG 47 2HB ARG 47 0.747 -15.459 -2.293 330 2HB ARG 47 1HB ARG 47 1.918 -16.728 -1.853 331 1HG ARG 47 2HG ARG 47 0.701 -17.052 0.338 332 2HG ARG 47 1HG ARG 47 -0.506 -15.833 -0.166 333 1HD ARG 47 2HD ARG 47 0.142 -18.443 -1.707 334 2HD ARG 47 1HD ARG 47 -1.196 -18.269 -0.509 335 HE ARG 47 HE ARG 47 -2.137 -16.437 -1.938 336 1HH1 ARG 47 1HH1 ARG 47 -0.219 -19.027 -3.531 337 2HH1 ARG 47 2HH1 ARG 47 -1.134 -18.901 -4.993 338 1HH2 ARG 47 1HH2 ARG 47 -3.186 -16.223 -3.943 339 2HH2 ARG 47 2HH2 ARG 47 -2.917 -17.379 -5.173 340 H ASP 48 H ASP 48 1.874 -14.417 1.813 341 HA ASP 48 HA ASP 48 4.190 -15.911 2.593 342 1HB ASP 48 2HB ASP 48 1.919 -14.586 4.161 343 2HB ASP 48 1HB ASP 48 3.186 -15.573 4.965 344 H LEU 49 H LEU 49 4.187 -18.061 2.259 345 HA LEU 49 HA LEU 49 1.740 -19.509 2.644 346 1HB LEU 49 2HB LEU 49 3.620 -19.768 0.816 347 2HB LEU 49 1HB LEU 49 4.465 -20.729 2.053 348 HG LEU 49 HG LEU 49 2.318 -22.175 2.189 349 1HD1 LEU 49 1HD1 LEU 49 1.629 -20.598 -0.378 350 2HD1 LEU 49 2HD1 LEU 49 0.676 -20.576 1.149 351 3HD1 LEU 49 3HD1 LEU 49 0.795 -22.094 0.191 352 1HD2 LEU 49 1HD2 LEU 49 3.802 -22.030 -0.509 353 2HD2 LEU 49 2HD2 LEU 49 2.869 -23.443 0.123 354 3HD2 LEU 49 3HD2 LEU 49 4.359 -22.895 0.973 355 H LYS 50 H LYS 50 3.890 -18.362 4.796 356 HA LYS 50 HA LYS 50 4.625 -20.558 6.280 357 1HB LYS 50 2HB LYS 50 4.256 -17.718 7.349 358 2HB LYS 50 1HB LYS 50 5.181 -19.048 8.092 359 1HG LYS 50 2HG LYS 50 6.882 -17.940 7.178 360 2HG LYS 50 1HG LYS 50 6.561 -19.031 5.801 361 1HD LYS 50 2HD LYS 50 5.473 -17.226 4.564 362 2HD LYS 50 1HD LYS 50 5.231 -16.273 6.057 363 1HE LYS 50 2HE LYS 50 6.961 -15.161 4.796 364 2HE LYS 50 1HE LYS 50 7.695 -15.877 6.277 365 1HZ LYS 50 1HZ LYS 50 8.873 -16.103 4.124 366 2HZ LYS 50 2HZ LYS 50 7.737 -17.280 3.658 367 3HZ LYS 50 3HZ LYS 50 8.726 -17.505 5.048 368 H TRP 51 H TRP 51 1.698 -18.572 6.537 369 HA TRP 51 HA TRP 51 0.836 -20.086 8.859 370 1HB TRP 51 2HB TRP 51 -1.114 -18.541 8.839 371 2HB TRP 51 1HB TRP 51 0.495 -17.788 9.085 372 HD1 TRP 51 HD TRP 51 1.274 -15.941 7.336 373 HE1 TRP 51 1HE TRP 51 -0.010 -14.634 5.538 374 HE3 TRP 51 3HE TRP 51 -2.895 -18.838 7.098 375 HZ2 TRP 51 2HZ TRP 51 -2.502 -14.795 4.244 376 HZ3 TRP 51 3HZ TRP 51 -4.705 -18.178 5.603 377 HH2 TRP 51 HH TRP 51 -4.525 -16.197 4.198 378 H TRP 52 H TRP 52 0.365 -20.110 5.472 379 HA TRP 52 HA TRP 52 -2.036 -21.617 5.422 380 1HB TRP 52 2HB TRP 52 0.284 -21.375 3.444 381 2HB TRP 52 1HB TRP 52 -1.140 -22.397 3.123 382 HD1 TRP 52 HD TRP 52 -0.650 -18.553 3.937 383 HE1 TRP 52 1HE TRP 52 -2.199 -17.294 2.348 384 HE3 TRP 52 3HE TRP 52 -2.875 -22.546 1.714 385 HZ2 TRP 52 2HZ TRP 52 -4.122 -17.938 0.365 386 HZ3 TRP 52 3HZ TRP 52 -4.572 -22.150 0.005 387 HH2 TRP 52 HH TRP 52 -5.191 -19.891 -0.661 388 H GLU 53 H GLU 53 1.392 -22.604 5.298 389 HA GLU 53 HA GLU 53 0.593 -25.374 5.772 390 1HB GLU 53 2HB GLU 53 3.340 -24.194 5.168 391 2HB GLU 53 1HB GLU 53 2.967 -25.908 5.505 392 1HG GLU 53 2HG GLU 53 1.258 -25.720 3.498 393 2HG GLU 53 1HG GLU 53 2.201 -24.260 3.036 394 H LEU 54 H LEU 54 -0.282 -24.409 7.874 395 HA LEU 54 HA LEU 54 1.655 -25.184 9.890 396 1HB LEU 54 2HB LEU 54 1.492 -22.653 9.698 397 2HB LEU 54 1HB LEU 54 -0.242 -22.777 10.088 398 HG LEU 54 HG LEU 54 1.242 -22.026 11.941 399 1HD1 LEU 54 1HD1 LEU 54 -0.942 -23.099 12.491 400 2HD1 LEU 54 2HD1 LEU 54 0.305 -23.345 13.770 401 3HD1 LEU 54 3HD1 LEU 54 -0.110 -24.692 12.643 402 1HD2 LEU 54 1HD2 LEU 54 3.259 -23.408 11.382 403 2HD2 LEU 54 2HD2 LEU 54 2.404 -24.873 11.998 404 3HD2 LEU 54 3HD2 LEU 54 2.781 -23.518 13.119 Start of MODEL 21 1 1H VAL 1 1HT VAL 1 5.560 17.963 9.211 2 2H VAL 1 2HT VAL 1 6.119 19.528 9.327 3 3H VAL 1 3HT VAL 1 5.778 18.892 7.807 4 HA VAL 1 HA VAL 1 3.851 19.274 10.021 5 HB VAL 1 HB VAL 1 4.693 21.384 9.028 6 1HG1 VAL 1 1HG1 VAL 1 3.886 22.076 6.811 7 2HG1 VAL 1 2HG1 VAL 1 3.123 20.487 6.515 8 3HG1 VAL 1 3HG1 VAL 1 4.921 20.624 6.625 9 1HG2 VAL 1 1HG2 VAL 1 2.465 21.198 10.198 10 2HG2 VAL 1 2HG2 VAL 1 1.678 20.899 8.601 11 3HG2 VAL 1 3HG2 VAL 1 2.515 22.448 8.912 12 H VAL 2 H VAL 2 1.584 18.649 9.610 13 HA VAL 2 HA VAL 2 1.202 17.231 7.091 14 HB VAL 2 HB VAL 2 0.118 16.419 9.818 15 1HG1 VAL 2 1HG1 VAL 2 -0.783 14.456 8.499 16 2HG1 VAL 2 2HG1 VAL 2 -0.254 15.244 6.973 17 3HG1 VAL 2 3HG1 VAL 2 -1.545 15.994 7.988 18 1HG2 VAL 2 1HG2 VAL 2 2.174 15.074 7.953 19 2HG2 VAL 2 2HG2 VAL 2 1.450 14.328 9.420 20 3HG2 VAL 2 3HG2 VAL 2 2.517 15.767 9.583 21 H SER 3 H SER 3 -0.294 18.409 5.958 22 HA SER 3 HA SER 3 -2.636 19.206 7.520 23 1HB SER 3 2HB SER 3 -1.354 21.294 7.134 24 2HB SER 3 1HB SER 3 -1.364 20.975 5.374 25 HG SER 3 HG SER 3 -3.656 21.317 7.035 26 H HIS 4 H HIS 4 -1.405 18.780 4.122 27 HA HIS 4 HA HIS 4 -3.754 17.056 3.804 28 1HB HIS 4 2HB HIS 4 -2.635 19.019 1.751 29 2HB HIS 4 1HB HIS 4 -3.826 17.724 1.381 30 HD1 HIS 4 1HD HIS 4 -3.606 21.101 2.881 31 HD2 HIS 4 2HD HIS 4 -6.395 17.980 2.736 32 HE1 HIS 4 1HE HIS 4 -5.810 22.065 3.632 33 HE2 HIS 4 2HE HIS 4 -7.465 20.114 3.573 34 H PHE 5 H PHE 5 -3.666 15.363 2.374 35 HA PHE 5 HA PHE 5 -1.010 14.559 1.510 36 1HB PHE 5 2HB PHE 5 -1.369 12.234 2.217 37 2HB PHE 5 1HB PHE 5 -1.334 13.369 3.603 38 HD1 PHE 5 1HD PHE 5 -3.309 11.054 1.697 39 HD2 PHE 5 2HD PHE 5 -3.423 14.012 4.716 40 HE1 PHE 5 1HE PHE 5 -5.487 10.183 2.449 41 HE2 PHE 5 2HE PHE 5 -5.614 13.189 5.465 42 HZ PHE 5 HZ PHE 5 -6.662 11.276 4.319 43 H ASN 6 H ASN 6 -1.069 12.900 -0.200 44 HA ASN 6 HA ASN 6 -3.594 12.784 -1.657 45 1HB ASN 6 2HB ASN 6 -0.906 13.827 -2.755 46 2HB ASN 6 1HB ASN 6 -2.206 13.178 -3.817 47 1HD2 ASN 6 1HD2 ASN 6 -4.181 14.312 -4.038 48 2HD2 ASN 6 2HD2 ASN 6 -4.340 15.981 -3.552 49 H ASP 7 H ASP 7 -3.867 10.615 -1.318 50 HA ASP 7 HA ASP 7 -1.536 8.942 -1.894 51 1HB ASP 7 2HB ASP 7 -1.988 7.549 -0.025 52 2HB ASP 7 1HB ASP 7 -1.838 9.255 0.503 53 H CYS 8 H CYS 8 -2.695 6.492 -1.519 54 HA CYS 8 HA CYS 8 -3.092 5.889 -4.073 55 1HB CYS 8 2HB CYS 8 -3.513 4.489 -1.477 56 2HB CYS 8 1HB CYS 8 -4.245 3.714 -2.900 57 HA PRO 9 HA PRO 9 -7.017 7.608 -4.174 58 1HB PRO 9 2HB PRO 9 -7.474 7.911 -6.877 59 2HB PRO 9 1HB PRO 9 -6.059 8.672 -6.062 60 1HG PRO 9 2HG PRO 9 -6.075 5.946 -7.509 61 2HG PRO 9 1HG PRO 9 -4.994 7.374 -7.846 62 1HD PRO 9 2HD PRO 9 -4.194 5.367 -6.126 63 2HD PRO 9 1HD PRO 9 -3.854 7.120 -5.745 64 H LEU 10 H LEU 10 -9.236 7.539 -5.169 65 HA LEU 10 HA LEU 10 -10.416 5.013 -4.829 66 1HB LEU 10 2HB LEU 10 -11.600 7.530 -6.135 67 2HB LEU 10 1HB LEU 10 -12.506 6.152 -5.439 68 HG LEU 10 HG LEU 10 -10.833 8.228 -3.929 69 1HD1 LEU 10 1HD1 LEU 10 -13.046 8.875 -2.975 70 2HD1 LEU 10 2HD1 LEU 10 -13.854 7.615 -3.988 71 3HD1 LEU 10 3HD1 LEU 10 -13.039 9.020 -4.774 72 1HD2 LEU 10 1HD2 LEU 10 -11.724 7.137 -1.831 73 2HD2 LEU 10 2HD2 LEU 10 -10.565 6.094 -2.728 74 3HD2 LEU 10 3HD2 LEU 10 -12.336 5.766 -2.830 75 H SER 11 H SER 11 -9.486 6.892 -7.641 76 HA SER 11 HA SER 11 -10.618 5.175 -9.591 77 1HB SER 11 2HB SER 11 -8.409 7.293 -9.749 78 2HB SER 11 1HB SER 11 -9.137 6.477 -11.182 79 HG SER 11 HG SER 11 -10.031 8.593 -9.955 80 H HIS 12 H HIS 12 -8.936 4.249 -11.365 81 HA HIS 12 HA HIS 12 -8.010 2.022 -10.055 82 1HB HIS 12 2HB HIS 12 -7.362 3.012 -12.866 83 2HB HIS 12 1HB HIS 12 -6.914 1.388 -12.243 84 HD1 HIS 12 1HD HIS 12 -8.309 0.878 -14.405 85 HD2 HIS 12 2HD HIS 12 -10.492 1.890 -10.985 86 HE1 HIS 12 1HE HIS 12 -10.656 -0.108 -14.694 87 HE2 HIS 12 2HE HIS 12 -11.907 0.512 -12.608 88 H ASP 13 H ASP 13 -5.985 0.922 -10.058 89 HA ASP 13 HA ASP 13 -4.364 2.430 -8.455 90 1HB ASP 13 2HB ASP 13 -3.182 0.164 -8.199 91 2HB ASP 13 1HB ASP 13 -4.920 0.272 -7.778 92 H GLY 14 H GLY 14 -2.192 2.702 -8.346 93 1HA GLY 14 2HA GLY 14 -1.031 3.305 -10.989 94 2HA GLY 14 1HA GLY 14 -0.974 4.334 -9.526 95 H TYR 15 H TYR 15 0.430 3.764 -7.793 96 HA TYR 15 HA TYR 15 2.740 2.293 -8.777 97 1HB TYR 15 2HB TYR 15 3.163 4.590 -7.953 98 2HB TYR 15 1HB TYR 15 2.389 4.180 -6.386 99 HD1 TYR 15 1HD TYR 15 4.037 4.095 -4.772 100 HD2 TYR 15 2HD TYR 15 4.858 2.377 -8.581 101 HE1 TYR 15 1HE TYR 15 6.124 3.163 -3.910 102 HE2 TYR 15 2HE TYR 15 6.838 1.338 -7.697 103 HH TYR 15 HH TYR 15 8.179 1.077 -5.950 104 H CYS 16 H CYS 16 0.610 2.440 -5.861 105 HA CYS 16 HA CYS 16 1.580 -0.281 -5.276 106 1HB CYS 16 2HB CYS 16 0.310 1.751 -3.437 107 2HB CYS 16 1HB CYS 16 0.364 -0.002 -3.068 108 H LEU 17 H LEU 17 0.378 -1.956 -5.265 109 HA LEU 17 HA LEU 17 -2.428 -1.828 -6.001 110 1HB LEU 17 2HB LEU 17 -1.948 -3.394 -7.949 111 2HB LEU 17 1HB LEU 17 -1.376 -1.731 -8.174 112 HG LEU 17 HG LEU 17 0.737 -3.366 -6.948 113 1HD1 LEU 17 1HD1 LEU 17 1.206 -4.871 -8.848 114 2HD1 LEU 17 2HD1 LEU 17 -0.313 -4.351 -9.669 115 3HD1 LEU 17 3HD1 LEU 17 -0.385 -5.265 -8.112 116 1HD2 LEU 17 1HD2 LEU 17 1.010 -1.144 -8.134 117 2HD2 LEU 17 2HD2 LEU 17 0.556 -1.939 -9.683 118 3HD2 LEU 17 3HD2 LEU 17 2.064 -2.427 -8.823 119 H HIS 18 H HIS 18 -3.261 -4.094 -6.185 120 HA HIS 18 HA HIS 18 -3.743 -5.987 -5.304 121 1HB HIS 18 2HB HIS 18 -1.572 -6.365 -6.663 122 2HB HIS 18 1HB HIS 18 -0.806 -6.719 -5.091 123 HD1 HIS 18 1HD HIS 18 -2.388 -8.569 -3.739 124 HD2 HIS 18 2HD HIS 18 -2.852 -8.457 -7.878 125 HE1 HIS 18 1HE HIS 18 -3.577 -10.746 -4.414 126 HE2 HIS 18 2HE HIS 18 -3.776 -10.633 -6.946 127 H ASP 19 H ASP 19 -3.917 -4.150 -3.422 128 HA ASP 19 HA ASP 19 -4.375 -3.847 -1.381 129 1HB ASP 19 2HB ASP 19 -3.829 -6.810 -1.029 130 2HB ASP 19 1HB ASP 19 -4.149 -5.753 0.387 131 H GLY 20 H GLY 20 -1.811 -3.290 -2.507 132 1HA GLY 20 2HA GLY 20 -0.362 -2.688 -0.050 133 2HA GLY 20 1HA GLY 20 0.019 -2.180 -1.735 134 H VAL 21 H VAL 21 -0.629 -0.855 1.098 135 HA VAL 21 HA VAL 21 -2.506 1.145 0.078 136 HB VAL 21 HB VAL 21 -1.745 0.444 2.927 137 1HG1 VAL 21 1HG1 VAL 21 -2.305 2.884 2.693 138 2HG1 VAL 21 2HG1 VAL 21 -3.669 2.003 3.464 139 3HG1 VAL 21 3HG1 VAL 21 -3.773 2.463 1.731 140 1HG2 VAL 21 1HG2 VAL 21 -4.313 -0.058 1.273 141 2HG2 VAL 21 2HG2 VAL 21 -4.127 -0.357 3.034 142 3HG2 VAL 21 3HG2 VAL 21 -3.168 -1.321 1.865 143 H CYS 22 H CYS 22 -1.309 2.733 -0.893 144 HA CYS 22 HA CYS 22 1.219 3.464 0.316 145 1HB CYS 22 2HB CYS 22 1.678 4.806 -1.550 146 2HB CYS 22 1HB CYS 22 1.111 3.227 -2.114 147 H MET 23 H MET 23 1.711 5.368 1.308 148 HA MET 23 HA MET 23 -0.430 7.351 1.543 149 1HB MET 23 2HB MET 23 1.207 6.215 3.847 150 2HB MET 23 1HB MET 23 0.222 7.724 3.906 151 1HG MET 23 2HG MET 23 -1.826 6.514 3.381 152 2HG MET 23 1HG MET 23 -0.950 4.969 3.219 153 1HE MET 23 1HE MET 23 -0.012 3.811 6.683 154 2HE MET 23 2HE MET 23 1.007 4.599 5.438 155 3HE MET 23 3HE MET 23 -0.255 3.424 4.945 156 H TYR 24 H TYR 24 0.358 8.882 0.314 157 HA TYR 24 HA TYR 24 3.102 9.782 0.766 158 1HB TYR 24 2HB TYR 24 2.218 9.061 -1.611 159 2HB TYR 24 1HB TYR 24 1.363 10.646 -1.607 160 HD1 TYR 24 1HD TYR 24 3.028 12.679 -0.852 161 HD2 TYR 24 2HD TYR 24 4.123 8.978 -2.643 162 HE1 TYR 24 1HE TYR 24 5.087 13.682 -1.645 163 HE2 TYR 24 2HE TYR 24 6.142 9.975 -3.501 164 HH TYR 24 HH TYR 24 7.150 13.268 -2.585 165 H ILE 25 H ILE 25 3.249 11.411 2.245 166 HA ILE 25 HA ILE 25 1.094 13.365 2.283 167 HB ILE 25 HB ILE 25 3.382 12.932 4.229 168 1HG1 ILE 25 2HG1 ILE 25 1.311 12.230 5.682 169 2HG1 ILE 25 1HG1 ILE 25 0.569 11.737 4.129 170 1HG2 ILE 25 1HG2 ILE 25 2.445 15.220 4.149 171 2HG2 ILE 25 2HG2 ILE 25 1.834 14.389 5.629 172 3HG2 ILE 25 3HG2 ILE 25 0.755 14.572 4.191 173 1HD1 ILE 25 1HD1 ILE 25 1.735 9.872 5.394 174 2HD1 ILE 25 2HD1 ILE 25 3.293 10.757 5.240 175 3HD1 ILE 25 3HD1 ILE 25 2.464 10.111 3.771 176 H GLU 26 H GLU 26 1.485 14.824 0.720 177 HA GLU 26 HA GLU 26 3.961 15.425 -0.327 178 1HB GLU 26 2HB GLU 26 1.752 15.611 -1.470 179 2HB GLU 26 1HB GLU 26 1.280 16.898 -0.337 180 1HG GLU 26 2HG GLU 26 1.787 17.912 -2.418 181 2HG GLU 26 1HG GLU 26 3.105 18.385 -1.311 182 H ALA 27 H ALA 27 2.152 16.961 2.277 183 HA ALA 27 HA ALA 27 3.465 19.221 2.764 184 1HB ALA 27 1HB ALA 27 1.516 18.023 4.007 185 2HB ALA 27 2HB ALA 27 2.682 18.916 5.053 186 3HB ALA 27 3HB ALA 27 2.775 17.124 4.923 187 H LEU 28 H LEU 28 4.597 16.006 3.614 188 HA LEU 28 HA LEU 28 7.057 17.014 4.814 189 1HB LEU 28 2HB LEU 28 5.639 14.323 4.678 190 2HB LEU 28 1HB LEU 28 7.324 14.459 5.276 191 HG LEU 28 HG LEU 28 5.402 16.391 6.512 192 1HD1 LEU 28 1HD1 LEU 28 5.152 13.357 6.995 193 2HD1 LEU 28 2HD1 LEU 28 3.892 14.513 6.385 194 3HD1 LEU 28 3HD1 LEU 28 4.488 14.640 8.078 195 1HD2 LEU 28 1HD2 LEU 28 7.786 16.205 7.245 196 2HD2 LEU 28 2HD2 LEU 28 7.533 14.463 7.645 197 3HD2 LEU 28 3HD2 LEU 28 6.660 15.735 8.571 198 H ASP 29 H ASP 29 5.888 15.093 2.099 199 HA ASP 29 HA ASP 29 6.740 14.223 0.355 200 1HB ASP 29 2HB ASP 29 7.792 16.415 -0.066 201 2HB ASP 29 1HB ASP 29 9.286 15.853 0.766 202 H LYS 30 H LYS 30 6.987 13.184 3.057 203 HA LYS 30 HA LYS 30 8.957 11.062 2.507 204 1HB LYS 30 2HB LYS 30 7.852 11.930 5.236 205 2HB LYS 30 1HB LYS 30 9.015 10.607 4.930 206 1HG LYS 30 2HG LYS 30 9.470 13.624 4.634 207 2HG LYS 30 1HG LYS 30 10.200 12.496 5.816 208 1HD LYS 30 2HD LYS 30 11.293 11.275 3.837 209 2HD LYS 30 1HD LYS 30 10.622 12.539 2.776 210 1HE LYS 30 2HE LYS 30 11.817 14.312 4.240 211 2HE LYS 30 1HE LYS 30 12.703 12.958 5.039 212 1HZ LYS 30 1HZ LYS 30 13.707 12.398 2.991 213 2HZ LYS 30 2HZ LYS 30 13.823 14.074 3.165 214 3HZ LYS 30 3HZ LYS 30 12.696 13.450 2.087 215 H TYR 31 H TYR 31 8.154 9.164 2.117 216 HA TYR 31 HA TYR 31 5.308 8.741 2.762 217 1HB TYR 31 2HB TYR 31 4.616 8.269 0.604 218 2HB TYR 31 1HB TYR 31 5.432 9.856 0.605 219 HD1 TYR 31 1HD TYR 31 5.205 6.705 -0.856 220 HD2 TYR 31 2HD TYR 31 7.837 9.948 -0.224 221 HE1 TYR 31 1HE TYR 31 6.440 6.054 -2.870 222 HE2 TYR 31 2HE TYR 31 9.147 9.286 -2.210 223 HH TYR 31 HH TYR 31 8.037 6.909 -4.449 224 H ALA 32 H ALA 32 4.455 6.577 2.027 225 HA ALA 32 HA ALA 32 6.375 4.444 2.369 226 1HB ALA 32 1HB ALA 32 5.100 3.523 4.341 227 2HB ALA 32 2HB ALA 32 4.033 4.977 4.316 228 3HB ALA 32 3HB ALA 32 5.775 5.143 4.723 229 H CYS 33 H CYS 33 5.467 2.340 1.965 230 HA CYS 33 HA CYS 33 2.667 2.306 1.202 231 1HB CYS 33 2HB CYS 33 4.117 2.191 -0.904 232 2HB CYS 33 1HB CYS 33 4.739 0.642 -0.309 233 H ASN 34 H ASN 34 1.572 0.946 2.497 234 HA ASN 34 HA ASN 34 3.159 -1.030 3.948 235 1HB ASN 34 2HB ASN 34 1.776 0.766 5.179 236 2HB ASN 34 1HB ASN 34 0.313 -0.101 4.598 237 1HD2 ASN 34 1HD2 ASN 34 0.172 -0.135 7.182 238 2HD2 ASN 34 2HD2 ASN 34 0.864 -1.548 7.910 239 H CYS 35 H CYS 35 2.437 -3.185 4.082 240 HA CYS 35 HA CYS 35 0.456 -4.005 2.073 241 1HB CYS 35 2HB CYS 35 3.299 -4.927 2.482 242 2HB CYS 35 1HB CYS 35 2.114 -6.206 2.155 243 H VAL 36 H VAL 36 -0.204 -6.325 2.529 244 HA VAL 36 HA VAL 36 -0.774 -6.621 5.360 245 HB VAL 36 HB VAL 36 -2.184 -8.597 4.258 246 1HG1 VAL 36 1HG1 VAL 36 -3.065 -6.745 5.649 247 2HG1 VAL 36 2HG1 VAL 36 -4.075 -6.970 4.178 248 3HG1 VAL 36 3HG1 VAL 36 -2.907 -5.600 4.262 249 1HG2 VAL 36 1HG2 VAL 36 -2.153 -6.469 2.015 250 2HG2 VAL 36 2HG2 VAL 36 -3.012 -8.038 2.059 251 3HG2 VAL 36 3HG2 VAL 36 -1.223 -8.014 1.904 252 H VAL 37 H VAL 37 -0.764 -8.949 6.175 253 HA VAL 37 HA VAL 37 1.960 -9.736 5.857 254 HB VAL 37 HB VAL 37 -0.053 -10.879 7.783 255 1HG1 VAL 37 1HG1 VAL 37 2.098 -12.181 7.489 256 2HG1 VAL 37 2HG1 VAL 37 2.069 -11.328 9.063 257 3HG1 VAL 37 3HG1 VAL 37 3.045 -10.658 7.715 258 1HG2 VAL 37 1HG2 VAL 37 1.758 -8.380 7.964 259 2HG2 VAL 37 2HG2 VAL 37 0.987 -9.191 9.371 260 3HG2 VAL 37 3HG2 VAL 37 -0.042 -8.423 8.120 261 H GLY 38 H GLY 38 2.715 -11.481 4.843 262 1HA GLY 38 2HA GLY 38 2.671 -13.614 4.017 263 2HA GLY 38 1HA GLY 38 0.873 -13.585 3.963 264 H TYR 39 H TYR 39 2.726 -10.886 2.790 265 HA TYR 39 HA TYR 39 2.274 -11.667 0.018 266 1HB TYR 39 2HB TYR 39 1.384 -9.024 1.339 267 2HB TYR 39 1HB TYR 39 1.483 -9.283 -0.438 268 HD1 TYR 39 1HD TYR 39 -0.173 -10.481 -1.581 269 HD2 TYR 39 2HD TYR 39 -0.232 -10.347 2.657 270 HE1 TYR 39 1HE TYR 39 -2.505 -11.268 -1.584 271 HE2 TYR 39 2HE TYR 39 -2.529 -11.174 2.670 272 HH TYR 39 HH TYR 39 -4.353 -11.564 1.414 273 H ILE 40 H ILE 40 4.082 -11.271 -1.145 274 HA ILE 40 HA ILE 40 6.039 -9.404 -0.011 275 HB ILE 40 HB ILE 40 7.865 -10.879 -0.569 276 1HG1 ILE 40 2HG1 ILE 40 5.678 -12.972 -1.088 277 2HG1 ILE 40 1HG1 ILE 40 6.755 -12.234 -2.326 278 1HG2 ILE 40 1HG2 ILE 40 5.851 -12.151 1.383 279 2HG2 ILE 40 2HG2 ILE 40 6.875 -10.708 1.738 280 3HG2 ILE 40 3HG2 ILE 40 7.644 -12.289 1.408 281 1HD1 ILE 40 1HD1 ILE 40 7.698 -14.412 -1.746 282 2HD1 ILE 40 2HD1 ILE 40 7.641 -14.044 0.012 283 3HD1 ILE 40 3HD1 ILE 40 8.772 -13.143 -1.063 284 H GLY 41 H GLY 41 7.839 -9.018 -1.662 285 1HA GLY 41 2HA GLY 41 8.312 -8.226 -3.710 286 2HA GLY 41 1HA GLY 41 6.661 -8.624 -4.296 287 H GLU 42 H GLU 42 8.162 -6.181 -4.695 288 HA GLU 42 HA GLU 42 7.581 -4.185 -2.927 289 1HB GLU 42 2HB GLU 42 9.191 -4.254 -4.928 290 2HB GLU 42 1HB GLU 42 7.800 -3.902 -5.976 291 1HG GLU 42 2HG GLU 42 8.975 -1.813 -5.527 292 2HG GLU 42 1HG GLU 42 7.423 -1.725 -4.628 293 H ARG 43 H ARG 43 5.691 -5.336 -5.673 294 HA ARG 43 HA ARG 43 3.603 -3.366 -5.122 295 1HB ARG 43 2HB ARG 43 2.750 -4.150 -7.401 296 2HB ARG 43 1HB ARG 43 4.194 -3.129 -7.265 297 1HG ARG 43 2HG ARG 43 5.668 -5.153 -7.533 298 2HG ARG 43 1HG ARG 43 4.204 -6.122 -7.914 299 1HD ARG 43 2HD ARG 43 3.788 -4.674 -9.917 300 2HD ARG 43 1HD ARG 43 5.068 -3.521 -9.361 301 HE ARG 43 HE ARG 43 5.838 -6.390 -9.824 302 1HH1 ARG 43 1HH1 ARG 43 6.324 -3.006 -10.888 303 2HH1 ARG 43 2HH1 ARG 43 7.220 -3.488 -12.257 304 1HH2 ARG 43 1HH2 ARG 43 7.336 -6.875 -11.500 305 2HH2 ARG 43 2HH2 ARG 43 7.780 -5.649 -12.627 306 H CYS 44 H CYS 44 4.079 -5.710 -3.407 307 HA CYS 44 HA CYS 44 2.948 -7.087 -2.236 308 1HB CYS 44 2HB CYS 44 1.450 -4.776 -2.500 309 2HB CYS 44 1HB CYS 44 0.231 -6.009 -2.841 310 H GLN 45 H GLN 45 3.460 -7.996 -4.800 311 HA GLN 45 HA GLN 45 1.123 -8.933 -6.062 312 1HB GLN 45 2HB GLN 45 3.151 -7.997 -7.145 313 2HB GLN 45 1HB GLN 45 4.143 -9.301 -6.488 314 1HG GLN 45 2HG GLN 45 3.736 -9.740 -8.843 315 2HG GLN 45 1HG GLN 45 2.881 -11.009 -7.907 316 1HE2 GLN 45 1HE2 GLN 45 2.248 -7.637 -8.784 317 2HE2 GLN 45 2HE2 GLN 45 0.690 -7.870 -9.573 318 H TYR 46 H TYR 46 3.802 -10.588 -4.361 319 HA TYR 46 HA TYR 46 2.804 -13.165 -5.285 320 1HB TYR 46 2HB TYR 46 5.334 -12.327 -3.762 321 2HB TYR 46 1HB TYR 46 4.967 -14.013 -4.285 322 HD1 TYR 46 1HD TYR 46 5.320 -14.672 -6.506 323 HD2 TYR 46 2HD TYR 46 5.657 -10.555 -5.488 324 HE1 TYR 46 1HE TYR 46 6.439 -14.234 -8.635 325 HE2 TYR 46 2HE TYR 46 6.808 -10.118 -7.565 326 HH TYR 46 HH TYR 46 7.928 -11.109 -9.298 327 H ARG 47 H ARG 47 1.912 -14.700 -3.883 328 HA ARG 47 HA ARG 47 1.414 -13.693 -1.162 329 1HB ARG 47 2HB ARG 47 0.056 -15.870 -2.805 330 2HB ARG 47 1HB ARG 47 -0.217 -15.604 -1.059 331 1HG ARG 47 2HG ARG 47 -1.728 -14.073 -1.445 332 2HG ARG 47 1HG ARG 47 -0.519 -13.017 -2.202 333 1HD ARG 47 2HD ARG 47 -2.145 -15.169 -3.733 334 2HD ARG 47 1HD ARG 47 -2.643 -13.450 -3.555 335 HE ARG 47 HE ARG 47 -0.566 -12.754 -4.755 336 1HH1 ARG 47 1HH1 ARG 47 -1.185 -16.318 -5.025 337 2HH1 ARG 47 2HH1 ARG 47 -0.006 -16.480 -6.243 338 1HH2 ARG 47 1HH2 ARG 47 0.774 -13.024 -6.445 339 2HH2 ARG 47 2HH2 ARG 47 1.208 -14.625 -6.974 340 H ASP 48 H ASP 48 2.166 -14.739 0.586 341 HA ASP 48 HA ASP 48 4.121 -16.869 0.093 342 1HB ASP 48 2HB ASP 48 4.715 -14.461 0.986 343 2HB ASP 48 1HB ASP 48 3.956 -14.988 2.523 344 H LEU 49 H LEU 49 2.795 -18.628 0.118 345 HA LEU 49 HA LEU 49 0.518 -18.578 1.846 346 1HB LEU 49 2HB LEU 49 1.438 -20.480 -0.350 347 2HB LEU 49 1HB LEU 49 -0.131 -20.613 0.500 348 HG LEU 49 HG LEU 49 0.751 -18.159 -1.121 349 1HD1 LEU 49 1HD1 LEU 49 -1.138 -20.473 -1.888 350 2HD1 LEU 49 2HD1 LEU 49 0.501 -20.157 -2.574 351 3HD1 LEU 49 3HD1 LEU 49 -0.836 -18.980 -2.854 352 1HD2 LEU 49 1HD2 LEU 49 -1.718 -17.600 -1.035 353 2HD2 LEU 49 2HD2 LEU 49 -0.948 -17.546 0.587 354 3HD2 LEU 49 3HD2 LEU 49 -1.966 -18.962 0.116 355 H LYS 50 H LYS 50 3.321 -19.129 2.878 356 HA LYS 50 HA LYS 50 3.286 -21.819 3.784 357 1HB LYS 50 2HB LYS 50 4.971 -19.396 4.630 358 2HB LYS 50 1HB LYS 50 5.164 -21.048 5.281 359 1HG LYS 50 2HG LYS 50 6.816 -20.939 3.746 360 2HG LYS 50 1HG LYS 50 5.570 -21.877 2.888 361 1HD LYS 50 2HD LYS 50 5.027 -19.947 1.472 362 2HD LYS 50 1HD LYS 50 5.911 -18.836 2.577 363 1HE LYS 50 2HE LYS 50 8.074 -19.920 2.006 364 2HE LYS 50 1HE LYS 50 7.239 -21.013 0.826 365 1HZ LYS 50 1HZ LYS 50 6.763 -19.184 -0.567 366 2HZ LYS 50 2HZ LYS 50 8.303 -18.858 -0.007 367 3HZ LYS 50 3HZ LYS 50 6.983 -18.051 0.654 368 H TRP 51 H TRP 51 2.384 -18.714 5.299 369 HA TRP 51 HA TRP 51 1.824 -20.039 7.766 370 1HB TRP 51 2HB TRP 51 1.293 -18.005 8.695 371 2HB TRP 51 1HB TRP 51 2.626 -17.664 7.555 372 HD1 TRP 51 HD TRP 51 2.033 -15.779 5.664 373 HE1 TRP 51 1HE TRP 51 -0.034 -14.242 5.335 374 HE3 TRP 51 3HE TRP 51 -1.147 -17.950 8.975 375 HZ2 TRP 51 2HZ TRP 51 -2.666 -14.111 6.224 376 HZ3 TRP 51 3HZ TRP 51 -3.418 -17.074 9.184 377 HH2 TRP 51 HH TRP 51 -4.173 -15.194 7.836 378 H TRP 52 H TRP 52 -0.018 -19.089 4.989 379 HA TRP 52 HA TRP 52 -2.577 -19.185 5.964 380 1HB TRP 52 2HB TRP 52 -1.480 -19.925 3.202 381 2HB TRP 52 1HB TRP 52 -3.218 -19.722 3.552 382 HD1 TRP 52 HD TRP 52 -0.001 -17.419 3.688 383 HE1 TRP 52 1HE TRP 52 -0.745 -15.138 2.771 384 HE3 TRP 52 3HE TRP 52 -4.993 -18.305 3.361 385 HZ2 TRP 52 2HZ TRP 52 -3.165 -13.865 2.113 386 HZ3 TRP 52 3HZ TRP 52 -6.465 -16.499 2.638 387 HH2 TRP 52 HH TRP 52 -5.573 -14.320 2.007 388 H GLU 53 H GLU 53 -0.679 -21.875 4.615 389 HA GLU 53 HA GLU 53 -2.636 -23.731 5.811 390 1HB GLU 53 2HB GLU 53 -0.879 -24.048 3.343 391 2HB GLU 53 1HB GLU 53 -1.701 -25.408 4.173 392 1HG GLU 53 2HG GLU 53 -3.918 -24.299 3.848 393 2HG GLU 53 1HG GLU 53 -3.122 -22.989 2.899 394 H LEU 54 H LEU 54 -1.098 -22.737 7.642 395 HA LEU 54 HA LEU 54 1.053 -24.675 8.031 396 1HB LEU 54 2HB LEU 54 1.671 -22.299 8.198 397 2HB LEU 54 1HB LEU 54 0.428 -22.039 9.449 398 HG LEU 54 HG LEU 54 1.654 -23.395 11.049 399 1HD1 LEU 54 1HD1 LEU 54 3.862 -24.465 10.512 400 2HD1 LEU 54 2HD1 LEU 54 3.603 -24.121 8.765 401 3HD1 LEU 54 3HD1 LEU 54 2.502 -25.253 9.640 402 1HD2 LEU 54 1HD2 LEU 54 3.573 -21.573 9.441 403 2HD2 LEU 54 2HD2 LEU 54 3.827 -22.106 11.140 404 3HD2 LEU 54 3HD2 LEU 54 2.427 -21.040 10.730 Start of MODEL 22 1 1H VAL 1 1HT VAL 1 5.221 18.977 7.445 2 2H VAL 1 2HT VAL 1 5.366 17.607 6.475 3 3H VAL 1 3HT VAL 1 6.686 18.179 7.359 4 HA VAL 1 HA VAL 1 5.911 16.352 8.557 5 HB VAL 1 HB VAL 1 4.568 18.753 9.863 6 1HG1 VAL 1 1HG1 VAL 1 4.215 16.614 11.104 7 2HG1 VAL 1 2HG1 VAL 1 5.423 17.623 11.955 8 3HG1 VAL 1 3HG1 VAL 1 5.976 16.226 10.975 9 1HG2 VAL 1 1HG2 VAL 1 6.848 19.149 10.894 10 2HG2 VAL 1 2HG2 VAL 1 6.804 19.529 9.150 11 3HG2 VAL 1 3HG2 VAL 1 7.556 17.987 9.727 12 H VAL 2 H VAL 2 4.112 14.893 9.275 13 HA VAL 2 HA VAL 2 1.747 15.350 7.739 14 HB VAL 2 HB VAL 2 1.086 13.146 8.479 15 1HG1 VAL 2 1HG1 VAL 2 2.449 13.568 6.395 16 2HG1 VAL 2 2HG1 VAL 2 2.761 11.955 7.132 17 3HG1 VAL 2 3HG1 VAL 2 3.955 13.274 7.349 18 1HG2 VAL 2 1HG2 VAL 2 3.821 13.113 9.941 19 2HG2 VAL 2 2HG2 VAL 2 2.809 11.680 9.596 20 3HG2 VAL 2 3HG2 VAL 2 2.191 12.951 10.703 21 H SER 3 H SER 3 -0.070 16.189 8.424 22 HA SER 3 HA SER 3 -0.465 16.503 11.328 23 1HB SER 3 2HB SER 3 -1.429 18.380 9.109 24 2HB SER 3 1HB SER 3 -1.671 18.575 10.881 25 HG SER 3 HG SER 3 0.037 19.799 10.225 26 H HIS 4 H HIS 4 -2.172 16.232 8.178 27 HA HIS 4 HA HIS 4 -4.207 14.670 9.581 28 1HB HIS 4 2HB HIS 4 -4.723 16.926 7.578 29 2HB HIS 4 1HB HIS 4 -5.893 15.600 7.873 30 HD1 HIS 4 1HD HIS 4 -4.571 18.712 9.658 31 HD2 HIS 4 2HD HIS 4 -7.273 15.538 10.254 32 HE1 HIS 4 1HE HIS 4 -5.931 19.295 11.626 33 HE2 HIS 4 2HE HIS 4 -7.554 17.416 11.991 34 H PHE 5 H PHE 5 -5.216 13.044 8.347 35 HA PHE 5 HA PHE 5 -3.423 12.035 6.295 36 1HB PHE 5 2HB PHE 5 -3.961 10.642 8.276 37 2HB PHE 5 1HB PHE 5 -5.705 10.794 7.917 38 HD1 PHE 5 1HD PHE 5 -2.661 9.947 5.834 39 HD2 PHE 5 2HD PHE 5 -6.504 8.795 7.253 40 HE1 PHE 5 1HE PHE 5 -2.534 7.901 4.517 41 HE2 PHE 5 2HE PHE 5 -6.358 6.722 5.957 42 HZ PHE 5 HZ PHE 5 -4.370 6.267 4.593 43 H ASN 6 H ASN 6 -3.914 12.021 4.167 44 HA ASN 6 HA ASN 6 -6.544 13.093 3.440 45 1HB ASN 6 2HB ASN 6 -3.847 13.171 1.979 46 2HB ASN 6 1HB ASN 6 -5.378 13.913 1.384 47 1HD2 ASN 6 1HD2 ASN 6 -2.681 15.159 2.242 48 2HD2 ASN 6 2HD2 ASN 6 -3.069 16.239 3.540 49 H ASP 7 H ASP 7 -7.343 12.456 1.218 50 HA ASP 7 HA ASP 7 -7.437 9.623 1.230 51 1HB ASP 7 2HB ASP 7 -9.295 9.941 -0.405 52 2HB ASP 7 1HB ASP 7 -9.526 10.603 1.240 53 H CYS 8 H CYS 8 -5.799 8.618 0.337 54 HA CYS 8 HA CYS 8 -4.674 9.631 -2.089 55 1HB CYS 8 2HB CYS 8 -3.265 8.878 -0.214 56 2HB CYS 8 1HB CYS 8 -3.749 7.203 -0.524 57 HA PRO 9 HA PRO 9 -5.351 5.714 -4.140 58 1HB PRO 9 2HB PRO 9 -6.592 3.493 -3.185 59 2HB PRO 9 1HB PRO 9 -5.080 4.096 -2.420 60 1HG PRO 9 2HG PRO 9 -7.957 4.692 -1.504 61 2HG PRO 9 1HG PRO 9 -6.607 3.997 -0.516 62 1HD PRO 9 2HD PRO 9 -7.160 6.757 -0.629 63 2HD PRO 9 1HD PRO 9 -5.473 6.100 -0.425 64 H LEU 10 H LEU 10 -7.171 7.800 -4.438 65 HA LEU 10 HA LEU 10 -9.763 6.803 -5.047 66 1HB LEU 10 2HB LEU 10 -8.383 9.340 -6.061 67 2HB LEU 10 1HB LEU 10 -10.138 8.998 -6.071 68 HG LEU 10 HG LEU 10 -8.355 9.403 -3.603 69 1HD1 LEU 10 1HD1 LEU 10 -10.654 11.101 -4.749 70 2HD1 LEU 10 2HD1 LEU 10 -8.899 11.482 -4.883 71 3HD1 LEU 10 3HD1 LEU 10 -9.696 11.453 -3.265 72 1HD2 LEU 10 1HD2 LEU 10 -11.382 8.820 -3.759 73 2HD2 LEU 10 2HD2 LEU 10 -10.499 9.369 -2.288 74 3HD2 LEU 10 3HD2 LEU 10 -10.125 7.758 -3.004 75 H SER 11 H SER 11 -6.779 7.257 -6.844 76 HA SER 11 HA SER 11 -7.924 6.442 -9.353 77 1HB SER 11 2HB SER 11 -5.491 6.805 -10.112 78 2HB SER 11 1HB SER 11 -6.330 8.221 -9.420 79 HG SER 11 HG SER 11 -4.320 6.640 -8.234 80 H HIS 12 H HIS 12 -6.849 4.744 -10.644 81 HA HIS 12 HA HIS 12 -6.536 2.356 -9.181 82 1HB HIS 12 2HB HIS 12 -7.514 2.446 -11.456 83 2HB HIS 12 1HB HIS 12 -5.950 2.994 -12.120 84 HD1 HIS 12 1HD HIS 12 -4.665 1.045 -13.120 85 HD2 HIS 12 2HD HIS 12 -7.199 -0.225 -10.028 86 HE1 HIS 12 1HE HIS 12 -4.297 -1.413 -12.858 87 HE2 HIS 12 2HE HIS 12 -5.890 -2.167 -11.014 88 H ASP 13 H ASP 13 -4.719 0.996 -8.953 89 HA ASP 13 HA ASP 13 -2.429 2.369 -8.283 90 1HB ASP 13 2HB ASP 13 -3.619 0.008 -7.579 91 2HB ASP 13 1HB ASP 13 -2.312 -0.647 -8.608 92 H GLY 14 H GLY 14 -0.251 1.691 -8.791 93 1HA GLY 14 2HA GLY 14 0.148 1.458 -11.720 94 2HA GLY 14 1HA GLY 14 0.996 2.652 -10.679 95 H TYR 15 H TYR 15 2.387 1.758 -8.951 96 HA TYR 15 HA TYR 15 4.038 -0.208 -10.205 97 1HB TYR 15 2HB TYR 15 4.605 2.126 -9.028 98 2HB TYR 15 1HB TYR 15 4.645 1.154 -7.523 99 HD1 TYR 15 1HD TYR 15 6.145 -0.991 -7.619 100 HD2 TYR 15 2HD TYR 15 6.389 2.198 -10.416 101 HE1 TYR 15 1HE TYR 15 8.337 -1.770 -8.292 102 HE2 TYR 15 2HE TYR 15 8.640 1.475 -11.045 103 HH TYR 15 HH TYR 15 10.252 -1.206 -9.434 104 H CYS 16 H CYS 16 2.153 0.094 -7.188 105 HA CYS 16 HA CYS 16 3.350 -2.296 -6.120 106 1HB CYS 16 2HB CYS 16 1.073 -0.514 -5.097 107 2HB CYS 16 1HB CYS 16 1.905 -1.786 -4.145 108 H LEU 17 H LEU 17 2.318 -4.327 -5.794 109 HA LEU 17 HA LEU 17 -0.242 -4.594 -7.199 110 1HB LEU 17 2HB LEU 17 1.905 -6.639 -6.547 111 2HB LEU 17 1HB LEU 17 0.248 -7.058 -7.070 112 HG LEU 17 HG LEU 17 0.656 -5.472 -9.098 113 1HD1 LEU 17 1HD1 LEU 17 3.547 -6.103 -8.223 114 2HD1 LEU 17 2HD1 LEU 17 2.838 -4.479 -8.507 115 3HD1 LEU 17 3HD1 LEU 17 3.086 -5.589 -9.895 116 1HD2 LEU 17 1HD2 LEU 17 0.225 -7.872 -9.220 117 2HD2 LEU 17 2HD2 LEU 17 1.938 -8.256 -8.808 118 3HD2 LEU 17 3HD2 LEU 17 1.544 -7.433 -10.372 119 H HIS 18 H HIS 18 -1.780 -5.991 -6.400 120 HA HIS 18 HA HIS 18 -3.338 -6.459 -4.995 121 1HB HIS 18 2HB HIS 18 -1.131 -7.117 -2.999 122 2HB HIS 18 1HB HIS 18 -2.860 -7.571 -2.840 123 HD1 HIS 18 1HD HIS 18 0.238 -8.504 -4.748 124 HD2 HIS 18 2HD HIS 18 -3.784 -9.655 -4.477 125 HE1 HIS 18 1HE HIS 18 -0.044 -10.561 -6.191 126 HE2 HIS 18 2HE HIS 18 -2.386 -11.319 -5.894 127 H ASP 19 H ASP 19 -3.137 -3.831 -5.260 128 HA ASP 19 HA ASP 19 -4.119 -2.079 -4.534 129 1HB ASP 19 2HB ASP 19 -5.803 -3.868 -4.044 130 2HB ASP 19 1HB ASP 19 -5.287 -3.841 -2.329 131 H GLY 20 H GLY 20 -2.087 -1.087 -4.175 132 1HA GLY 20 2HA GLY 20 -0.866 -1.364 -1.608 133 2HA GLY 20 1HA GLY 20 -0.326 -0.421 -3.040 134 H VAL 21 H VAL 21 -0.802 0.034 0.047 135 HA VAL 21 HA VAL 21 -2.686 2.193 0.019 136 HB VAL 21 HB VAL 21 -0.862 1.207 2.231 137 1HG1 VAL 21 1HG1 VAL 21 -3.319 3.094 2.210 138 2HG1 VAL 21 2HG1 VAL 21 -1.613 3.586 2.579 139 3HG1 VAL 21 3HG1 VAL 21 -2.491 2.471 3.679 140 1HG2 VAL 21 1HG2 VAL 21 -2.474 -0.564 1.509 141 2HG2 VAL 21 2HG2 VAL 21 -3.821 0.632 1.543 142 3HG2 VAL 21 3HG2 VAL 21 -3.003 0.158 3.070 143 H CYS 22 H CYS 22 -1.979 3.889 -1.162 144 HA CYS 22 HA CYS 22 0.757 4.744 -1.005 145 1HB CYS 22 2HB CYS 22 0.113 6.433 -2.663 146 2HB CYS 22 1HB CYS 22 -0.324 4.776 -3.133 147 H MET 23 H MET 23 1.592 6.601 -0.125 148 HA MET 23 HA MET 23 -0.319 8.424 1.163 149 1HB MET 23 2HB MET 23 2.327 7.410 2.320 150 2HB MET 23 1HB MET 23 1.440 8.853 2.923 151 1HG MET 23 2HG MET 23 -0.541 7.438 3.435 152 2HG MET 23 1HG MET 23 0.347 5.989 2.894 153 1HE MET 23 1HE MET 23 -0.271 4.841 4.995 154 2HE MET 23 2HE MET 23 -1.131 6.284 5.636 155 3HE MET 23 3HE MET 23 0.045 5.401 6.670 156 H TYR 24 H TYR 24 -0.260 10.134 -0.126 157 HA TYR 24 HA TYR 24 2.398 11.273 -0.742 158 1HB TYR 24 2HB TYR 24 1.338 10.579 -2.842 159 2HB TYR 24 1HB TYR 24 -0.230 11.277 -2.306 160 HD1 TYR 24 1HD TYR 24 2.649 13.560 -1.782 161 HD2 TYR 24 2HD TYR 24 -0.245 11.990 -4.485 162 HE1 TYR 24 1HE TYR 24 2.700 15.628 -3.039 163 HE2 TYR 24 2HE TYR 24 -0.138 14.010 -5.794 164 HH TYR 24 HH TYR 24 1.452 16.894 -4.553 165 H ILE 25 H ILE 25 2.710 12.747 0.917 166 HA ILE 25 HA ILE 25 0.401 14.373 1.676 167 HB ILE 25 HB ILE 25 2.991 13.807 3.130 168 1HG1 ILE 25 2HG1 ILE 25 0.968 13.002 4.777 169 2HG1 ILE 25 1HG1 ILE 25 0.215 12.582 3.220 170 1HG2 ILE 25 1HG2 ILE 25 0.471 15.477 3.771 171 2HG2 ILE 25 2HG2 ILE 25 2.150 16.106 3.523 172 3HG2 ILE 25 3HG2 ILE 25 1.772 15.092 4.960 173 1HD1 ILE 25 1HD1 ILE 25 2.226 11.147 2.660 174 2HD1 ILE 25 2HD1 ILE 25 1.516 10.675 4.247 175 3HD1 ILE 25 3HD1 ILE 25 3.019 11.660 4.195 176 H GLU 26 H GLU 26 0.344 16.265 0.687 177 HA GLU 26 HA GLU 26 2.303 17.280 -0.937 178 1HB GLU 26 2HB GLU 26 -0.153 18.399 0.444 179 2HB GLU 26 1HB GLU 26 0.837 19.472 -0.577 180 1HG GLU 26 2HG GLU 26 -0.140 16.807 -1.750 181 2HG GLU 26 1HG GLU 26 -1.270 18.189 -1.562 182 H ALA 27 H ALA 27 1.699 18.139 2.489 183 HA ALA 27 HA ALA 27 3.493 20.171 2.685 184 1HB ALA 27 1HB ALA 27 1.857 19.497 4.429 185 2HB ALA 27 2HB ALA 27 3.502 19.638 5.127 186 3HB ALA 27 3HB ALA 27 2.806 18.010 4.767 187 H LEU 28 H LEU 28 4.279 16.715 2.672 188 HA LEU 28 HA LEU 28 7.060 17.256 3.259 189 1HB LEU 28 2HB LEU 28 5.493 14.691 2.708 190 2HB LEU 28 1HB LEU 28 7.277 14.771 2.877 191 HG LEU 28 HG LEU 28 6.854 16.004 5.115 192 1HD1 LEU 28 1HD1 LEU 28 4.201 14.456 4.808 193 2HD1 LEU 28 2HD1 LEU 28 4.380 16.246 5.020 194 3HD1 LEU 28 3HD1 LEU 28 4.844 15.099 6.350 195 1HD2 LEU 28 1HD2 LEU 28 6.338 12.971 4.774 196 2HD2 LEU 28 2HD2 LEU 28 6.921 13.785 6.272 197 3HD2 LEU 28 3HD2 LEU 28 7.953 13.775 4.797 198 H ASP 29 H ASP 29 5.004 16.625 0.499 199 HA ASP 29 HA ASP 29 5.270 16.511 -1.617 200 1HB ASP 29 2HB ASP 29 8.181 17.365 -1.255 201 2HB ASP 29 1HB ASP 29 7.345 17.196 -2.830 202 H LYS 30 H LYS 30 6.170 14.315 0.370 203 HA LYS 30 HA LYS 30 7.658 12.611 -1.461 204 1HB LYS 30 2HB LYS 30 6.903 12.253 1.501 205 2HB LYS 30 1HB LYS 30 8.021 11.198 0.591 206 1HG LYS 30 2HG LYS 30 8.532 14.145 1.319 207 2HG LYS 30 1HG LYS 30 9.145 12.686 2.157 208 1HD LYS 30 2HD LYS 30 10.216 12.018 -0.120 209 2HD LYS 30 1HD LYS 30 9.742 13.652 -0.684 210 1HE LYS 30 2HE LYS 30 12.128 13.606 0.021 211 2HE LYS 30 1HE LYS 30 11.184 14.686 1.122 212 1HZ LYS 30 1HZ LYS 30 11.237 13.094 2.800 213 2HZ LYS 30 2HZ LYS 30 12.788 13.023 2.183 214 3HZ LYS 30 3HZ LYS 30 11.665 11.825 1.785 215 H TYR 31 H TYR 31 7.245 10.488 -1.831 216 HA TYR 31 HA TYR 31 4.477 9.595 -1.552 217 1HB TYR 31 2HB TYR 31 6.705 9.298 -3.597 218 2HB TYR 31 1HB TYR 31 5.730 7.831 -3.306 219 HD1 TYR 31 1HD TYR 31 5.068 11.519 -3.760 220 HD2 TYR 31 2HD TYR 31 4.080 7.501 -4.713 221 HE1 TYR 31 1HE TYR 31 3.346 12.310 -5.318 222 HE2 TYR 31 2HE TYR 31 2.369 8.276 -6.274 223 HH TYR 31 HH TYR 31 1.629 10.017 -7.417 224 H ALA 32 H ALA 32 4.023 7.575 -0.727 225 HA ALA 32 HA ALA 32 6.141 5.739 -0.305 226 1HB ALA 32 1HB ALA 32 4.661 6.840 2.157 227 2HB ALA 32 2HB ALA 32 6.406 7.075 1.780 228 3HB ALA 32 3HB ALA 32 5.792 5.428 2.161 229 H CYS 33 H CYS 33 5.122 4.267 -1.524 230 HA CYS 33 HA CYS 33 2.505 3.315 -0.839 231 1HB CYS 33 2HB CYS 33 3.470 3.251 -3.156 232 2HB CYS 33 1HB CYS 33 4.670 2.067 -2.600 233 H ASN 34 H ASN 34 1.965 1.782 0.622 234 HA ASN 34 HA ASN 34 4.021 -0.160 1.366 235 1HB ASN 34 2HB ASN 34 3.436 1.486 3.245 236 2HB ASN 34 1HB ASN 34 1.762 0.846 3.187 237 1HD2 ASN 34 1HD2 ASN 34 1.860 0.008 5.317 238 2HD2 ASN 34 2HD2 ASN 34 2.952 -1.242 5.820 239 H CYS 35 H CYS 35 3.172 -2.279 1.867 240 HA CYS 35 HA CYS 35 0.830 -2.874 0.196 241 1HB CYS 35 2HB CYS 35 3.137 -4.644 1.148 242 2HB CYS 35 1HB CYS 35 1.793 -5.173 0.080 243 H VAL 36 H VAL 36 -0.272 -4.968 0.882 244 HA VAL 36 HA VAL 36 -0.981 -4.913 3.666 245 HB VAL 36 HB VAL 36 -2.238 -7.080 2.883 246 1HG1 VAL 36 1HG1 VAL 36 -3.265 -4.905 3.577 247 2HG1 VAL 36 2HG1 VAL 36 -4.094 -5.597 2.135 248 3HG1 VAL 36 3HG1 VAL 36 -2.948 -4.224 1.935 249 1HG2 VAL 36 1HG2 VAL 36 -2.720 -7.198 0.536 250 2HG2 VAL 36 2HG2 VAL 36 -0.920 -7.052 0.605 251 3HG2 VAL 36 3HG2 VAL 36 -1.952 -5.629 0.184 252 H VAL 37 H VAL 37 -0.970 -6.891 4.984 253 HA VAL 37 HA VAL 37 1.721 -7.815 5.066 254 HB VAL 37 HB VAL 37 -0.657 -8.279 6.881 255 1HG1 VAL 37 1HG1 VAL 37 0.977 -10.125 7.236 256 2HG1 VAL 37 2HG1 VAL 37 1.117 -8.931 8.565 257 3HG1 VAL 37 3HG1 VAL 37 2.345 -8.940 7.252 258 1HG2 VAL 37 1HG2 VAL 37 1.783 -6.387 7.034 259 2HG2 VAL 37 2HG2 VAL 37 0.560 -6.624 8.328 260 3HG2 VAL 37 3HG2 VAL 37 0.070 -5.884 6.767 261 H GLY 38 H GLY 38 2.505 -9.787 4.640 262 1HA GLY 38 2HA GLY 38 2.447 -12.067 4.609 263 2HA GLY 38 1HA GLY 38 0.675 -12.050 4.280 264 H TYR 39 H TYR 39 3.386 -10.305 2.761 265 HA TYR 39 HA TYR 39 2.855 -11.642 0.229 266 1HB TYR 39 2HB TYR 39 2.693 -8.644 0.829 267 2HB TYR 39 1HB TYR 39 3.269 -9.204 -0.786 268 HD1 TYR 39 1HD TYR 39 1.891 -10.439 -2.256 269 HD2 TYR 39 2HD TYR 39 0.356 -9.071 1.464 270 HE1 TYR 39 1HE TYR 39 -0.386 -10.931 -3.014 271 HE2 TYR 39 2HE TYR 39 -1.913 -9.507 0.689 272 HH TYR 39 HH TYR 39 -3.205 -10.352 -0.917 273 H ILE 40 H ILE 40 4.552 -11.924 -1.060 274 HA ILE 40 HA ILE 40 7.168 -11.043 -0.094 275 HB ILE 40 HB ILE 40 8.010 -13.247 -1.043 276 1HG1 ILE 40 2HG1 ILE 40 5.112 -14.120 -0.531 277 2HG1 ILE 40 1HG1 ILE 40 5.715 -13.707 -2.169 278 1HG2 ILE 40 1HG2 ILE 40 6.234 -13.278 1.479 279 2HG2 ILE 40 2HG2 ILE 40 7.924 -12.647 1.396 280 3HG2 ILE 40 3HG2 ILE 40 7.585 -14.395 1.112 281 1HD1 ILE 40 1HD1 ILE 40 5.821 -16.164 -1.805 282 2HD1 ILE 40 2HD1 ILE 40 6.838 -15.935 -0.345 283 3HD1 ILE 40 3HD1 ILE 40 7.488 -15.496 -1.971 284 H GLY 41 H GLY 41 8.792 -11.126 -1.807 285 1HA GLY 41 2HA GLY 41 9.424 -10.652 -3.929 286 2HA GLY 41 1HA GLY 41 7.715 -10.581 -4.466 287 H GLU 42 H GLU 42 9.654 -8.735 -5.213 288 HA GLU 42 HA GLU 42 10.211 -6.652 -3.567 289 1HB GLU 42 2HB GLU 42 11.299 -7.279 -5.726 290 2HB GLU 42 1HB GLU 42 9.856 -6.739 -6.611 291 1HG GLU 42 2HG GLU 42 10.284 -4.351 -5.658 292 2HG GLU 42 1HG GLU 42 11.823 -5.001 -4.982 293 H ARG 43 H ARG 43 7.657 -6.737 -6.018 294 HA ARG 43 HA ARG 43 6.463 -4.301 -4.887 295 1HB ARG 43 2HB ARG 43 5.310 -4.200 -7.148 296 2HB ARG 43 1HB ARG 43 7.066 -3.959 -7.125 297 1HG ARG 43 2HG ARG 43 6.542 -6.815 -7.516 298 2HG ARG 43 1HG ARG 43 5.572 -5.882 -8.661 299 1HD ARG 43 2HD ARG 43 8.594 -5.405 -8.301 300 2HD ARG 43 1HD ARG 43 7.879 -6.526 -9.535 301 HE ARG 43 HE ARG 43 6.439 -4.262 -10.049 302 1HH1 ARG 43 1HH1 ARG 43 9.988 -4.436 -9.559 303 2HH1 ARG 43 2HH1 ARG 43 10.309 -3.500 -10.960 304 1HH2 ARG 43 1HH2 ARG 43 6.892 -2.893 -11.728 305 2HH2 ARG 43 2HH2 ARG 43 8.529 -2.481 -12.117 306 H CYS 44 H CYS 44 6.171 -7.013 -3.727 307 HA CYS 44 HA CYS 44 4.645 -8.109 -2.690 308 1HB CYS 44 2HB CYS 44 2.812 -5.750 -3.243 309 2HB CYS 44 1HB CYS 44 2.621 -6.953 -1.935 310 H GLN 45 H GLN 45 4.920 -9.170 -5.082 311 HA GLN 45 HA GLN 45 2.399 -9.433 -6.365 312 1HB GLN 45 2HB GLN 45 4.985 -10.970 -6.872 313 2HB GLN 45 1HB GLN 45 3.544 -10.876 -7.931 314 1HG GLN 45 2HG GLN 45 3.882 -8.260 -7.856 315 2HG GLN 45 1HG GLN 45 5.489 -8.616 -7.142 316 1HE2 GLN 45 1HE2 GLN 45 3.467 -9.826 -9.926 317 2HE2 GLN 45 2HE2 GLN 45 4.735 -9.627 -11.104 318 H TYR 46 H TYR 46 4.318 -11.784 -4.340 319 HA TYR 46 HA TYR 46 2.083 -13.638 -4.815 320 1HB TYR 46 2HB TYR 46 4.742 -14.578 -3.738 321 2HB TYR 46 1HB TYR 46 3.532 -15.441 -4.726 322 HD1 TYR 46 1HD TYR 46 3.276 -14.618 -7.182 323 HD2 TYR 46 2HD TYR 46 6.564 -13.609 -4.686 324 HE1 TYR 46 1HE TYR 46 4.630 -14.128 -9.163 325 HE2 TYR 46 2HE TYR 46 7.918 -13.108 -6.656 326 HH TYR 46 HH TYR 46 7.944 -12.896 -8.876 327 H ARG 47 H ARG 47 1.250 -14.827 -2.949 328 HA ARG 47 HA ARG 47 1.924 -13.451 -0.432 329 1HB ARG 47 2HB ARG 47 -0.204 -13.866 0.442 330 2HB ARG 47 1HB ARG 47 -0.358 -12.943 -1.069 331 1HG ARG 47 2HG ARG 47 -1.335 -14.809 -2.230 332 2HG ARG 47 1HG ARG 47 -0.756 -15.990 -1.009 333 1HD ARG 47 2HD ARG 47 -2.227 -14.992 0.735 334 2HD ARG 47 1HD ARG 47 -2.868 -13.804 -0.475 335 HE ARG 47 HE ARG 47 -3.222 -16.387 -1.647 336 1HH1 ARG 47 1HH1 ARG 47 -4.400 -14.901 1.416 337 2HH1 ARG 47 2HH1 ARG 47 -6.048 -15.274 1.023 338 1HH2 ARG 47 1HH2 ARG 47 -5.220 -17.183 -1.837 339 2HH2 ARG 47 2HH2 ARG 47 -6.474 -16.881 -0.639 340 H ASP 48 H ASP 48 2.048 -14.549 1.480 341 HA ASP 48 HA ASP 48 2.934 -17.293 1.237 342 1HB ASP 48 2HB ASP 48 2.838 -15.275 3.556 343 2HB ASP 48 1HB ASP 48 3.340 -16.990 3.767 344 H LEU 49 H LEU 49 1.632 -18.978 1.476 345 HA LEU 49 HA LEU 49 -0.935 -18.660 2.800 346 1HB LEU 49 2HB LEU 49 0.274 -20.845 1.043 347 2HB LEU 49 1HB LEU 49 -1.254 -21.050 1.938 348 HG LEU 49 HG LEU 49 -1.771 -20.573 -0.299 349 1HD1 LEU 49 1HD1 LEU 49 -3.324 -18.702 -0.070 350 2HD1 LEU 49 2HD1 LEU 49 -2.389 -18.007 1.298 351 3HD1 LEU 49 3HD1 LEU 49 -3.248 -19.587 1.497 352 1HD2 LEU 49 1HD2 LEU 49 -1.208 -18.578 -1.568 353 2HD2 LEU 49 2HD2 LEU 49 0.330 -19.324 -0.972 354 3HD2 LEU 49 3HD2 LEU 49 -0.340 -17.864 -0.160 355 H LYS 50 H LYS 50 2.205 -20.050 3.276 356 HA LYS 50 HA LYS 50 1.576 -22.295 4.596 357 1HB LYS 50 2HB LYS 50 3.958 -22.397 5.133 358 2HB LYS 50 1HB LYS 50 3.566 -21.960 3.460 359 1HG LYS 50 2HG LYS 50 5.311 -20.501 3.880 360 2HG LYS 50 1HG LYS 50 3.901 -19.460 4.154 361 1HD LYS 50 2HD LYS 50 5.129 -18.954 6.036 362 2HD LYS 50 1HD LYS 50 4.134 -20.320 6.666 363 1HE LYS 50 2HE LYS 50 6.073 -21.902 6.259 364 2HE LYS 50 1HE LYS 50 7.037 -20.531 5.581 365 1HZ LYS 50 1HZ LYS 50 6.589 -21.261 8.300 366 2HZ LYS 50 2HZ LYS 50 6.176 -19.641 8.043 367 3HZ LYS 50 3HZ LYS 50 7.712 -20.200 7.628 368 H TRP 51 H TRP 51 1.422 -19.215 6.221 369 HA TRP 51 HA TRP 51 1.530 -20.637 8.759 370 1HB TRP 51 2HB TRP 51 1.795 -18.728 9.841 371 2HB TRP 51 1HB TRP 51 2.583 -18.336 8.287 372 HD1 TRP 51 HD TRP 51 -0.831 -17.690 10.140 373 HE1 TRP 51 1HE TRP 51 -1.488 -15.257 9.696 374 HE3 TRP 51 3HE TRP 51 2.873 -16.480 6.878 375 HZ2 TRP 51 2HZ TRP 51 -0.442 -13.058 8.266 376 HZ3 TRP 51 3HZ TRP 51 3.029 -14.184 6.070 377 HH2 TRP 51 HH TRP 51 1.414 -12.489 6.768 378 H TRP 52 H TRP 52 -0.760 -19.381 6.513 379 HA TRP 52 HA TRP 52 -2.958 -19.250 8.273 380 1HB TRP 52 2HB TRP 52 -2.904 -19.412 5.213 381 2HB TRP 52 1HB TRP 52 -4.325 -18.964 6.214 382 HD1 TRP 52 HD TRP 52 -1.065 -17.475 4.820 383 HE1 TRP 52 1HE TRP 52 -1.069 -14.959 5.275 384 HE3 TRP 52 3HE TRP 52 -5.109 -17.257 7.867 385 HZ2 TRP 52 2HZ TRP 52 -2.754 -13.083 6.577 386 HZ3 TRP 52 3HZ TRP 52 -5.864 -15.080 8.685 387 HH2 TRP 52 HH TRP 52 -4.715 -13.028 8.047 388 H GLU 53 H GLU 53 -1.977 -21.601 5.796 389 HA GLU 53 HA GLU 53 -4.027 -23.473 6.771 390 1HB GLU 53 2HB GLU 53 -2.421 -23.399 4.185 391 2HB GLU 53 1HB GLU 53 -3.405 -24.804 4.711 392 1HG GLU 53 2HG GLU 53 -5.452 -23.352 4.807 393 2HG GLU 53 1HG GLU 53 -4.494 -21.976 4.158 394 H LEU 54 H LEU 54 -2.666 -23.543 8.713 395 HA LEU 54 HA LEU 54 -0.735 -25.744 8.438 396 1HB LEU 54 2HB LEU 54 0.347 -23.617 9.108 397 2HB LEU 54 1HB LEU 54 -0.827 -23.439 10.439 398 HG LEU 54 HG LEU 54 0.076 -25.533 11.501 399 1HD1 LEU 54 1HD1 LEU 54 0.964 -26.739 9.521 400 2HD1 LEU 54 2HD1 LEU 54 2.272 -26.455 10.721 401 3HD1 LEU 54 3HD1 LEU 54 2.177 -25.432 9.239 402 1HD2 LEU 54 1HD2 LEU 54 2.219 -24.519 12.273 403 2HD2 LEU 54 2HD2 LEU 54 0.918 -23.273 12.159 404 3HD2 LEU 54 3HD2 LEU 54 2.189 -23.371 10.885 Start of MODEL 23 1 1H VAL 1 1HT VAL 1 6.530 20.474 4.314 2 2H VAL 1 2HT VAL 1 5.531 19.151 4.186 3 3H VAL 1 3HT VAL 1 6.183 19.535 5.669 4 HA VAL 1 HA VAL 1 4.890 21.735 5.406 5 HB VAL 1 HB VAL 1 3.538 19.916 3.356 6 1HG1 VAL 1 1HG1 VAL 1 2.769 22.774 4.211 7 2HG1 VAL 1 2HG1 VAL 1 1.803 21.274 4.522 8 3HG1 VAL 1 3HG1 VAL 1 2.077 21.841 2.852 9 1HG2 VAL 1 1HG2 VAL 1 4.166 21.764 1.761 10 2HG2 VAL 1 2HG2 VAL 1 5.594 20.907 2.396 11 3HG2 VAL 1 3HG2 VAL 1 5.150 22.539 3.049 12 H VAL 2 H VAL 2 2.960 21.908 6.800 13 HA VAL 2 HA VAL 2 2.569 19.479 8.302 14 HB VAL 2 HB VAL 2 1.486 22.263 8.775 15 1HG1 VAL 2 1HG1 VAL 2 1.174 21.350 11.104 16 2HG1 VAL 2 2HG1 VAL 2 1.694 19.724 10.545 17 3HG1 VAL 2 3HG1 VAL 2 0.156 20.452 9.930 18 1HG2 VAL 2 1HG2 VAL 2 3.967 22.290 8.835 19 2HG2 VAL 2 2HG2 VAL 2 3.982 20.790 9.848 20 3HG2 VAL 2 3HG2 VAL 2 3.320 22.325 10.508 21 H SER 3 H SER 3 1.258 18.099 7.236 22 HA SER 3 HA SER 3 -1.377 19.077 6.384 23 1HB SER 3 2HB SER 3 0.230 16.875 5.006 24 2HB SER 3 1HB SER 3 -1.318 17.599 4.447 25 HG SER 3 HG SER 3 -0.158 19.549 4.123 26 H HIS 4 H HIS 4 -2.911 17.112 5.994 27 HA HIS 4 HA HIS 4 -2.805 15.444 8.367 28 1HB HIS 4 2HB HIS 4 -4.954 15.505 6.187 29 2HB HIS 4 1HB HIS 4 -5.064 14.747 7.801 30 HD1 HIS 4 1HD HIS 4 -5.060 18.087 6.094 31 HD2 HIS 4 2HD HIS 4 -5.874 16.484 9.875 32 HE1 HIS 4 1HE HIS 4 -6.231 19.904 7.429 33 HE2 HIS 4 2HE HIS 4 -6.666 18.923 9.699 34 H PHE 5 H PHE 5 -3.138 13.082 8.168 35 HA PHE 5 HA PHE 5 -2.184 12.010 5.615 36 1HB PHE 5 2HB PHE 5 -0.718 11.717 7.662 37 2HB PHE 5 1HB PHE 5 -2.062 10.831 8.447 38 HD1 PHE 5 1HD PHE 5 -0.482 10.732 5.009 39 HD2 PHE 5 2HD PHE 5 -1.467 8.643 8.577 40 HE1 PHE 5 1HE PHE 5 0.479 8.699 4.078 41 HE2 PHE 5 2HE PHE 5 -0.466 6.606 7.659 42 HZ PHE 5 HZ PHE 5 0.511 6.627 5.407 43 H ASN 6 H ASN 6 -3.712 11.079 4.402 44 HA ASN 6 HA ASN 6 -6.026 9.884 5.750 45 1HB ASN 6 2HB ASN 6 -6.058 11.460 3.123 46 2HB ASN 6 1HB ASN 6 -7.489 10.812 4.007 47 1HD2 ASN 6 1HD2 ASN 6 -8.189 11.932 5.984 48 2HD2 ASN 6 2HD2 ASN 6 -7.625 13.550 6.281 49 H ASP 7 H ASP 7 -7.350 8.698 3.832 50 HA ASP 7 HA ASP 7 -5.534 6.707 2.773 51 1HB ASP 7 2HB ASP 7 -7.632 6.154 4.110 52 2HB ASP 7 1HB ASP 7 -8.608 6.967 2.844 53 H CYS 8 H CYS 8 -5.289 6.398 0.540 54 HA CYS 8 HA CYS 8 -4.863 8.581 -0.887 55 1HB CYS 8 2HB CYS 8 -5.269 5.733 -1.827 56 2HB CYS 8 1HB CYS 8 -4.658 7.038 -2.886 57 HA PRO 9 HA PRO 9 -9.081 8.962 -2.381 58 1HB PRO 9 2HB PRO 9 -9.342 11.697 -2.492 59 2HB PRO 9 1HB PRO 9 -9.337 10.755 -0.959 60 1HG PRO 9 2HG PRO 9 -7.085 12.450 -2.092 61 2HG PRO 9 1HG PRO 9 -7.549 12.137 -0.379 62 1HD PRO 9 2HD PRO 9 -5.517 10.763 -1.950 63 2HD PRO 9 1HD PRO 9 -6.104 10.327 -0.296 64 H LEU 10 H LEU 10 -6.911 11.390 -3.846 65 HA LEU 10 HA LEU 10 -8.000 11.109 -6.427 66 1HB LEU 10 2HB LEU 10 -5.420 12.402 -5.418 67 2HB LEU 10 1HB LEU 10 -5.952 12.434 -7.123 68 HG LEU 10 HG LEU 10 -8.077 13.589 -6.415 69 1HD1 LEU 10 1HD1 LEU 10 -7.889 14.979 -4.281 70 2HD1 LEU 10 2HD1 LEU 10 -6.536 13.920 -3.757 71 3HD1 LEU 10 3HD1 LEU 10 -8.203 13.235 -3.985 72 1HD2 LEU 10 1HD2 LEU 10 -6.931 15.811 -6.262 73 2HD2 LEU 10 2HD2 LEU 10 -6.161 14.745 -7.497 74 3HD2 LEU 10 3HD2 LEU 10 -5.375 14.980 -5.889 75 H SER 11 H SER 11 -5.281 9.568 -4.790 76 HA SER 11 HA SER 11 -3.839 9.087 -7.059 77 1HB SER 11 2HB SER 11 -3.422 7.361 -4.611 78 2HB SER 11 1HB SER 11 -2.217 8.160 -5.670 79 HG SER 11 HG SER 11 -2.898 10.144 -4.715 80 H HIS 12 H HIS 12 -3.256 7.215 -8.207 81 HA HIS 12 HA HIS 12 -5.070 4.920 -7.865 82 1HB HIS 12 2HB HIS 12 -4.103 6.084 -10.525 83 2HB HIS 12 1HB HIS 12 -5.076 4.593 -10.316 84 HD1 HIS 12 1HD HIS 12 -5.377 8.347 -10.205 85 HD2 HIS 12 2HD HIS 12 -7.839 4.973 -9.762 86 HE1 HIS 12 1HE HIS 12 -7.732 9.162 -10.264 87 HE2 HIS 12 2HE HIS 12 -9.206 7.132 -10.039 88 H ASP 13 H ASP 13 -4.315 2.904 -8.708 89 HA ASP 13 HA ASP 13 -1.682 2.428 -7.821 90 1HB ASP 13 2HB ASP 13 -3.776 0.594 -9.147 91 2HB ASP 13 1HB ASP 13 -2.286 0.025 -8.298 92 H GLY 14 H GLY 14 -0.046 1.157 -8.939 93 1HA GLY 14 2HA GLY 14 -0.120 0.570 -11.621 94 2HA GLY 14 1HA GLY 14 0.612 2.212 -11.440 95 H TYR 15 H TYR 15 2.382 2.331 -9.716 96 HA TYR 15 HA TYR 15 4.353 0.542 -10.504 97 1HB TYR 15 2HB TYR 15 4.652 2.996 -9.775 98 2HB TYR 15 1HB TYR 15 4.525 2.426 -8.077 99 HD1 TYR 15 1HD TYR 15 6.420 1.397 -7.084 100 HD2 TYR 15 2HD TYR 15 6.303 1.892 -11.300 101 HE1 TYR 15 1HE TYR 15 8.684 0.494 -7.245 102 HE2 TYR 15 2HE TYR 15 8.572 0.998 -11.477 103 HH TYR 15 HH TYR 15 10.396 0.000 -8.588 104 H CYS 16 H CYS 16 2.564 0.857 -7.447 105 HA CYS 16 HA CYS 16 3.551 -1.785 -6.618 106 1HB CYS 16 2HB CYS 16 2.020 0.354 -5.044 107 2HB CYS 16 1HB CYS 16 2.586 -1.229 -4.390 108 H LEU 17 H LEU 17 2.211 -3.477 -7.018 109 HA LEU 17 HA LEU 17 -0.516 -2.814 -7.834 110 1HB LEU 17 2HB LEU 17 -0.245 -4.320 -9.754 111 2HB LEU 17 1HB LEU 17 0.704 -2.829 -9.821 112 HG LEU 17 HG LEU 17 1.771 -4.796 -10.787 113 1HD1 LEU 17 1HD1 LEU 17 3.110 -2.816 -10.029 114 2HD1 LEU 17 2HD1 LEU 17 4.032 -4.363 -10.092 115 3HD1 LEU 17 3HD1 LEU 17 3.512 -3.700 -8.512 116 1HD2 LEU 17 1HD2 LEU 17 2.203 -5.888 -7.950 117 2HD2 LEU 17 2HD2 LEU 17 2.878 -6.532 -9.490 118 3HD2 LEU 17 3HD2 LEU 17 1.096 -6.580 -9.212 119 H HIS 18 H HIS 18 -1.786 -4.823 -8.280 120 HA HIS 18 HA HIS 18 -2.734 -6.630 -7.653 121 1HB HIS 18 2HB HIS 18 -0.399 -7.576 -8.000 122 2HB HIS 18 1HB HIS 18 -0.235 -7.579 -6.218 123 HD1 HIS 18 1HD HIS 18 -0.370 -10.093 -5.764 124 HD2 HIS 18 2HD HIS 18 -3.461 -8.808 -8.305 125 HE1 HIS 18 1HE HIS 18 -1.891 -12.042 -6.106 126 HE2 HIS 18 2HE HIS 18 -3.781 -11.239 -7.562 127 H ASP 19 H ASP 19 -2.988 -4.380 -5.936 128 HA ASP 19 HA ASP 19 -4.118 -3.818 -4.214 129 1HB ASP 19 2HB ASP 19 -5.475 -5.871 -4.500 130 2HB ASP 19 1HB ASP 19 -4.395 -6.714 -3.329 131 H GLY 20 H GLY 20 -2.333 -2.662 -3.652 132 1HA GLY 20 2HA GLY 20 -0.724 -3.720 -1.426 133 2HA GLY 20 1HA GLY 20 -0.298 -2.399 -2.578 134 H VAL 21 H VAL 21 0.028 -1.850 0.122 135 HA VAL 21 HA VAL 21 -2.360 -0.413 0.873 136 HB VAL 21 HB VAL 21 0.237 -0.601 2.376 137 1HG1 VAL 21 1HG1 VAL 21 -2.635 0.318 3.095 138 2HG1 VAL 21 2HG1 VAL 21 -1.193 1.392 2.949 139 3HG1 VAL 21 3HG1 VAL 21 -1.266 0.157 4.248 140 1HG2 VAL 21 1HG2 VAL 21 -1.046 -2.270 3.763 141 2HG2 VAL 21 2HG2 VAL 21 -0.764 -2.876 2.101 142 3HG2 VAL 21 3HG2 VAL 21 -2.386 -2.236 2.560 143 H CYS 22 H CYS 22 -2.667 1.488 -0.067 144 HA CYS 22 HA CYS 22 -0.503 2.884 -1.308 145 1HB CYS 22 2HB CYS 22 -2.677 2.635 -2.395 146 2HB CYS 22 1HB CYS 22 -3.485 3.477 -1.054 147 H MET 23 H MET 23 0.720 4.440 -0.426 148 HA MET 23 HA MET 23 -0.576 6.185 1.546 149 1HB MET 23 2HB MET 23 2.334 5.253 1.515 150 2HB MET 23 1HB MET 23 1.655 6.509 2.607 151 1HG MET 23 2HG MET 23 0.092 4.828 3.573 152 2HG MET 23 1HG MET 23 0.740 3.570 2.485 153 1HE MET 23 1HE MET 23 0.855 2.108 4.445 154 2HE MET 23 2HE MET 23 0.363 3.402 5.590 155 3HE MET 23 3HE MET 23 1.799 2.383 5.947 156 H TYR 24 H TYR 24 -0.676 8.254 0.910 157 HA TYR 24 HA TYR 24 1.385 9.217 -0.932 158 1HB TYR 24 2HB TYR 24 -0.618 8.981 -2.364 159 2HB TYR 24 1HB TYR 24 -1.656 9.721 -1.072 160 HD1 TYR 24 1HD TYR 24 -2.165 11.863 -1.248 161 HD2 TYR 24 2HD TYR 24 1.446 10.505 -3.061 162 HE1 TYR 24 1HE TYR 24 -1.757 14.086 -2.063 163 HE2 TYR 24 2HE TYR 24 1.865 12.753 -3.903 164 HH TYR 24 HH TYR 24 -0.494 15.398 -3.335 165 H ILE 25 H ILE 25 2.362 11.077 -0.138 166 HA ILE 25 HA ILE 25 1.338 11.948 2.455 167 HB ILE 25 HB ILE 25 4.156 11.872 1.357 168 1HG1 ILE 25 2HG1 ILE 25 4.218 10.250 3.495 169 2HG1 ILE 25 1HG1 ILE 25 2.530 9.917 3.026 170 1HG2 ILE 25 1HG2 ILE 25 2.892 12.566 4.090 171 2HG2 ILE 25 2HG2 ILE 25 3.732 13.712 2.966 172 3HG2 ILE 25 3HG2 ILE 25 4.667 12.398 3.780 173 1HD1 ILE 25 1HD1 ILE 25 3.368 9.177 0.735 174 2HD1 ILE 25 2HD1 ILE 25 4.182 8.272 2.055 175 3HD1 ILE 25 3HD1 ILE 25 5.045 9.614 1.227 176 H GLU 26 H GLU 26 0.126 13.715 1.962 177 HA GLU 26 HA GLU 26 0.719 15.622 0.031 178 1HB GLU 26 2HB GLU 26 -1.005 15.692 2.556 179 2HB GLU 26 1HB GLU 26 -0.921 17.045 1.388 180 1HG GLU 26 2HG GLU 26 -1.691 15.559 -0.453 181 2HG GLU 26 1HG GLU 26 -1.841 14.189 0.705 182 H ALA 27 H ALA 27 1.734 15.321 3.385 183 HA ALA 27 HA ALA 27 2.788 17.797 3.827 184 1HB ALA 27 1HB ALA 27 4.222 16.603 5.514 185 2HB ALA 27 2HB ALA 27 3.821 15.037 4.735 186 3HB ALA 27 3HB ALA 27 2.529 16.000 5.532 187 H LEU 28 H LEU 28 4.131 15.256 1.816 188 HA LEU 28 HA LEU 28 6.644 16.790 1.594 189 1HB LEU 28 2HB LEU 28 6.203 13.779 1.362 190 2HB LEU 28 1HB LEU 28 7.771 14.639 1.230 191 HG LEU 28 HG LEU 28 6.025 14.473 3.745 192 1HD1 LEU 28 1HD1 LEU 28 8.687 13.091 3.028 193 2HD1 LEU 28 2HD1 LEU 28 7.073 12.292 3.117 194 3HD1 LEU 28 3HD1 LEU 28 7.822 12.985 4.604 195 1HD2 LEU 28 1HD2 LEU 28 8.019 15.421 4.925 196 2HD2 LEU 28 2HD2 LEU 28 7.315 16.594 3.762 197 3HD2 LEU 28 3HD2 LEU 28 8.830 15.699 3.340 198 H ASP 29 H ASP 29 3.974 15.597 -0.181 199 HA ASP 29 HA ASP 29 3.402 15.723 -2.222 200 1HB ASP 29 2HB ASP 29 4.978 17.756 -2.370 201 2HB ASP 29 1HB ASP 29 6.137 16.660 -3.183 202 H LYS 30 H LYS 30 4.799 13.440 -0.879 203 HA LYS 30 HA LYS 30 5.883 12.064 -3.240 204 1HB LYS 30 2HB LYS 30 6.627 11.619 -0.320 205 2HB LYS 30 1HB LYS 30 7.385 10.857 -1.748 206 1HG LYS 30 2HG LYS 30 7.516 13.801 -0.924 207 2HG LYS 30 1HG LYS 30 8.828 12.584 -0.854 208 1HD LYS 30 2HD LYS 30 8.838 12.456 -3.354 209 2HD LYS 30 1HD LYS 30 7.437 13.548 -3.432 210 1HE LYS 30 2HE LYS 30 9.426 14.807 -3.996 211 2HE LYS 30 1HE LYS 30 8.745 15.434 -2.447 212 1HZ LYS 30 1HZ LYS 30 10.516 14.436 -1.241 213 2HZ LYS 30 2HZ LYS 30 11.229 15.039 -2.652 214 3HZ LYS 30 3HZ LYS 30 10.880 13.389 -2.504 215 H TYR 31 H TYR 31 5.945 9.761 -3.182 216 HA TYR 31 HA TYR 31 3.399 8.636 -2.225 217 1HB TYR 31 2HB TYR 31 5.186 8.207 -4.677 218 2HB TYR 31 1HB TYR 31 4.188 6.843 -4.093 219 HD1 TYR 31 1HD TYR 31 3.920 10.406 -5.197 220 HD2 TYR 31 2HD TYR 31 2.019 6.668 -4.581 221 HE1 TYR 31 1HE TYR 31 1.941 11.232 -6.382 222 HE2 TYR 31 2HE TYR 31 0.037 7.468 -5.799 223 HH TYR 31 HH TYR 31 -0.256 10.812 -6.885 224 H ALA 32 H ALA 32 3.387 6.551 -1.240 225 HA ALA 32 HA ALA 32 5.843 5.112 -1.301 226 1HB ALA 32 1HB ALA 32 5.954 4.745 1.194 227 2HB ALA 32 2HB ALA 32 4.547 5.859 1.406 228 3HB ALA 32 3HB ALA 32 6.120 6.492 0.812 229 H CYS 33 H CYS 33 5.593 2.861 -0.439 230 HA CYS 33 HA CYS 33 2.776 2.006 -0.539 231 1HB CYS 33 2HB CYS 33 5.189 0.513 -1.696 232 2HB CYS 33 1HB CYS 33 3.479 -0.027 -1.727 233 H ASN 34 H ASN 34 2.190 0.512 1.037 234 HA ASN 34 HA ASN 34 4.437 -0.816 2.341 235 1HB ASN 34 2HB ASN 34 3.210 1.005 3.798 236 2HB ASN 34 1HB ASN 34 1.892 -0.210 3.923 237 1HD2 ASN 34 1HD2 ASN 34 2.141 -1.396 5.828 238 2HD2 ASN 34 2HD2 ASN 34 3.670 -1.761 6.587 239 H CYS 35 H CYS 35 3.684 -2.932 3.404 240 HA CYS 35 HA CYS 35 1.568 -4.134 1.758 241 1HB CYS 35 2HB CYS 35 4.198 -5.411 2.668 242 2HB CYS 35 1HB CYS 35 2.875 -6.260 1.803 243 H VAL 36 H VAL 36 0.400 -5.829 2.736 244 HA VAL 36 HA VAL 36 0.102 -5.626 5.560 245 HB VAL 36 HB VAL 36 -1.460 -7.705 4.919 246 1HG1 VAL 36 1HG1 VAL 36 -2.016 -4.763 4.153 247 2HG1 VAL 36 2HG1 VAL 36 -2.188 -5.464 5.810 248 3HG1 VAL 36 3HG1 VAL 36 -3.247 -6.034 4.469 249 1HG2 VAL 36 1HG2 VAL 36 -0.442 -7.745 2.538 250 2HG2 VAL 36 2HG2 VAL 36 -1.319 -6.187 2.243 251 3HG2 VAL 36 3HG2 VAL 36 -2.241 -7.660 2.657 252 H VAL 37 H VAL 37 0.019 -7.616 6.935 253 HA VAL 37 HA VAL 37 2.546 -8.878 6.740 254 HB VAL 37 HB VAL 37 0.247 -9.278 8.660 255 1HG1 VAL 37 1HG1 VAL 37 3.198 -10.222 8.763 256 2HG1 VAL 37 2HG1 VAL 37 1.742 -11.291 8.686 257 3HG1 VAL 37 3HG1 VAL 37 2.034 -10.276 10.135 258 1HG2 VAL 37 1HG2 VAL 37 1.199 -6.953 8.693 259 2HG2 VAL 37 2HG2 VAL 37 2.864 -7.632 8.797 260 3HG2 VAL 37 3HG2 VAL 37 1.701 -7.870 10.151 261 H GLY 38 H GLY 38 3.093 -10.736 5.825 262 1HA GLY 38 2HA GLY 38 2.843 -12.914 5.236 263 2HA GLY 38 1HA GLY 38 1.051 -12.752 5.274 264 H TYR 39 H TYR 39 2.807 -10.232 3.794 265 HA TYR 39 HA TYR 39 2.579 -11.398 1.110 266 1HB TYR 39 2HB TYR 39 1.841 -8.606 2.141 267 2HB TYR 39 1HB TYR 39 2.485 -8.786 0.475 268 HD1 TYR 39 1HD TYR 39 -0.172 -10.246 2.716 269 HD2 TYR 39 2HD TYR 39 1.092 -9.201 -1.206 270 HE1 TYR 39 1HE TYR 39 -2.403 -10.753 1.860 271 HE2 TYR 39 2HE TYR 39 -1.152 -9.590 -2.045 272 HH TYR 39 HH TYR 39 -3.255 -10.125 -1.531 273 H ILE 40 H ILE 40 4.311 -11.124 -0.186 274 HA ILE 40 HA ILE 40 6.623 -9.713 0.884 275 HB ILE 40 HB ILE 40 8.059 -11.629 0.069 276 1HG1 ILE 40 2HG1 ILE 40 5.368 -13.117 0.286 277 2HG1 ILE 40 1HG1 ILE 40 6.311 -12.828 -1.216 278 1HG2 ILE 40 1HG2 ILE 40 6.258 -12.089 2.514 279 2HG2 ILE 40 2HG2 ILE 40 7.640 -10.937 2.452 280 3HG2 ILE 40 3HG2 ILE 40 7.934 -12.699 2.255 281 1HD1 ILE 40 1HD1 ILE 40 6.731 -15.113 -0.438 282 2HD1 ILE 40 2HD1 ILE 40 7.171 -14.542 1.203 283 3HD1 ILE 40 3HD1 ILE 40 8.238 -14.156 -0.197 284 H GLY 41 H GLY 41 8.400 -9.690 -0.818 285 1HA GLY 41 2HA GLY 41 8.982 -9.229 -2.962 286 2HA GLY 41 1HA GLY 41 7.252 -9.028 -3.424 287 H GLU 42 H GLU 42 9.656 -7.234 -3.767 288 HA GLU 42 HA GLU 42 9.241 -4.952 -2.111 289 1HB GLU 42 2HB GLU 42 11.410 -5.297 -3.137 290 2HB GLU 42 1HB GLU 42 10.655 -5.582 -4.725 291 1HG GLU 42 2HG GLU 42 9.978 -3.169 -4.878 292 2HG GLU 42 1HG GLU 42 10.770 -2.864 -3.284 293 H ARG 43 H ARG 43 8.080 -6.162 -5.192 294 HA ARG 43 HA ARG 43 6.484 -3.833 -5.712 295 1HB ARG 43 2HB ARG 43 5.923 -4.902 -7.762 296 2HB ARG 43 1HB ARG 43 7.661 -5.104 -7.436 297 1HG ARG 43 2HG ARG 43 6.752 -7.454 -6.365 298 2HG ARG 43 1HG ARG 43 5.463 -7.158 -7.570 299 1HD ARG 43 2HD ARG 43 8.494 -7.493 -8.046 300 2HD ARG 43 1HD ARG 43 7.160 -8.599 -8.571 301 HE ARG 43 HE ARG 43 7.050 -5.794 -9.605 302 1HH1 ARG 43 1HH1 ARG 43 8.688 -8.945 -10.241 303 2HH1 ARG 43 2HH1 ARG 43 9.344 -8.287 -11.672 304 1HH2 ARG 43 1HH2 ARG 43 7.706 -5.226 -11.577 305 2HH2 ARG 43 2HH2 ARG 43 8.676 -6.285 -12.566 306 H CYS 44 H CYS 44 6.067 -5.924 -3.359 307 HA CYS 44 HA CYS 44 4.491 -6.477 -2.063 308 1HB CYS 44 2HB CYS 44 4.148 -3.934 -2.559 309 2HB CYS 44 1HB CYS 44 2.649 -4.447 -3.368 310 H GLN 45 H GLN 45 4.536 -8.117 -4.397 311 HA GLN 45 HA GLN 45 1.801 -8.226 -5.297 312 1HB GLN 45 2HB GLN 45 3.927 -8.171 -6.698 313 2HB GLN 45 1HB GLN 45 4.175 -9.887 -6.254 314 1HG GLN 45 2HG GLN 45 1.747 -10.271 -7.219 315 2HG GLN 45 1HG GLN 45 1.867 -8.575 -7.830 316 1HE2 GLN 45 1HE2 GLN 45 4.308 -8.301 -8.920 317 2HE2 GLN 45 2HE2 GLN 45 4.581 -9.490 -10.161 318 H TYR 46 H TYR 46 4.003 -10.421 -3.508 319 HA TYR 46 HA TYR 46 2.298 -12.632 -4.266 320 1HB TYR 46 2HB TYR 46 4.922 -12.855 -2.738 321 2HB TYR 46 1HB TYR 46 4.132 -14.070 -3.790 322 HD1 TYR 46 1HD TYR 46 3.909 -13.354 -6.309 323 HD2 TYR 46 2HD TYR 46 6.620 -11.629 -3.538 324 HE1 TYR 46 1HE TYR 46 5.304 -12.580 -8.164 325 HE2 TYR 46 2HE TYR 46 8.011 -10.825 -5.382 326 HH TYR 46 HH TYR 46 7.149 -11.442 -8.769 327 H ARG 47 H ARG 47 1.034 -13.766 -2.817 328 HA ARG 47 HA ARG 47 1.292 -12.979 0.002 329 1HB ARG 47 2HB ARG 47 -0.892 -13.884 0.397 330 2HB ARG 47 1HB ARG 47 -0.887 -12.614 -0.857 331 1HG ARG 47 2HG ARG 47 -0.966 -14.400 -2.645 332 2HG ARG 47 1HG ARG 47 -1.133 -15.634 -1.360 333 1HD ARG 47 2HD ARG 47 -3.247 -14.489 -0.572 334 2HD ARG 47 1HD ARG 47 -3.081 -13.265 -1.883 335 HE ARG 47 HE ARG 47 -4.068 -15.999 -2.139 336 1HH1 ARG 47 1HH1 ARG 47 -2.557 -13.317 -3.980 337 2HH1 ARG 47 2HH1 ARG 47 -2.970 -14.029 -5.493 338 1HH2 ARG 47 1HH2 ARG 47 -4.457 -16.915 -4.275 339 2HH2 ARG 47 2HH2 ARG 47 -4.433 -15.775 -5.596 340 H ASP 48 H ASP 48 1.674 -14.448 1.615 341 HA ASP 48 HA ASP 48 2.876 -16.931 0.742 342 1HB ASP 48 2HB ASP 48 4.053 -15.293 2.270 343 2HB ASP 48 1HB ASP 48 2.773 -15.577 3.497 344 H LEU 49 H LEU 49 1.495 -18.642 0.514 345 HA LEU 49 HA LEU 49 -0.930 -18.663 2.052 346 1HB LEU 49 2HB LEU 49 0.156 -20.647 -0.006 347 2HB LEU 49 1HB LEU 49 -1.496 -20.642 0.689 348 HG LEU 49 HG LEU 49 -0.270 -18.463 -1.088 349 1HD1 LEU 49 1HD1 LEU 49 -2.047 -19.211 -2.701 350 2HD1 LEU 49 2HD1 LEU 49 -2.558 -20.484 -1.540 351 3HD1 LEU 49 3HD1 LEU 49 -0.923 -20.566 -2.281 352 1HD2 LEU 49 1HD2 LEU 49 -2.599 -17.486 -1.087 353 2HD2 LEU 49 2HD2 LEU 49 -1.793 -17.347 0.514 354 3HD2 LEU 49 3HD2 LEU 49 -3.056 -18.616 0.237 355 H LYS 50 H LYS 50 2.207 -19.920 2.731 356 HA LYS 50 HA LYS 50 1.638 -22.435 3.615 357 1HB LYS 50 2HB LYS 50 3.697 -21.617 2.771 358 2HB LYS 50 1HB LYS 50 3.717 -20.222 3.867 359 1HG LYS 50 2HG LYS 50 4.040 -23.103 4.888 360 2HG LYS 50 1HG LYS 50 5.378 -22.069 4.246 361 1HD LYS 50 2HD LYS 50 4.383 -20.238 5.854 362 2HD LYS 50 1HD LYS 50 3.716 -21.628 6.758 363 1HE LYS 50 2HE LYS 50 6.049 -22.534 7.110 364 2HE LYS 50 1HE LYS 50 6.723 -21.186 6.102 365 1HZ LYS 50 1HZ LYS 50 6.787 -20.659 8.511 366 2HZ LYS 50 2HZ LYS 50 5.116 -20.881 8.583 367 3HZ LYS 50 3HZ LYS 50 5.759 -19.620 7.646 368 H TRP 51 H TRP 51 1.429 -19.345 5.331 369 HA TRP 51 HA TRP 51 0.982 -20.721 7.837 370 1HB TRP 51 2HB TRP 51 0.954 -18.577 8.877 371 2HB TRP 51 1HB TRP 51 2.359 -18.693 7.767 372 HD1 TRP 51 HD TRP 51 2.127 -17.151 5.405 373 HE1 TRP 51 1HE TRP 51 0.634 -15.153 4.884 374 HE3 TRP 51 3HE TRP 51 -0.986 -17.359 9.410 375 HZ2 TRP 51 2HZ TRP 51 -1.223 -13.517 6.280 376 HZ3 TRP 51 3HZ TRP 51 -2.621 -15.568 9.733 377 HH2 TRP 51 HH TRP 51 -2.736 -13.681 8.204 378 H TRP 52 H TRP 52 -0.919 -19.166 5.356 379 HA TRP 52 HA TRP 52 -3.354 -19.109 6.766 380 1HB TRP 52 2HB TRP 52 -2.714 -19.319 3.770 381 2HB TRP 52 1HB TRP 52 -4.384 -19.218 4.407 382 HD1 TRP 52 HD TRP 52 -1.853 -16.883 3.108 383 HE1 TRP 52 1HE TRP 52 -2.539 -14.477 3.724 384 HE3 TRP 52 3HE TRP 52 -5.416 -17.933 6.567 385 HZ2 TRP 52 2HZ TRP 52 -4.503 -13.223 5.302 386 HZ3 TRP 52 3HZ TRP 52 -6.652 -16.094 7.590 387 HH2 TRP 52 HH TRP 52 -6.201 -13.780 6.981 388 H GLU 53 H GLU 53 -1.974 -21.570 4.590 389 HA GLU 53 HA GLU 53 -4.107 -23.402 5.172 390 1HB GLU 53 2HB GLU 53 -1.514 -23.681 3.601 391 2HB GLU 53 1HB GLU 53 -2.776 -24.945 3.675 392 1HG GLU 53 2HG GLU 53 -3.311 -22.103 2.597 393 2HG GLU 53 1HG GLU 53 -2.732 -23.462 1.589 394 H LEU 54 H LEU 54 -3.248 -22.837 7.566 395 HA LEU 54 HA LEU 54 -1.952 -25.325 8.409 396 1HB LEU 54 2HB LEU 54 -0.644 -23.112 8.737 397 2HB LEU 54 1HB LEU 54 -1.876 -22.678 9.945 398 HG LEU 54 HG LEU 54 -0.144 -25.231 10.008 399 1HD1 LEU 54 1HD1 LEU 54 1.263 -24.058 11.698 400 2HD1 LEU 54 2HD1 LEU 54 0.291 -22.555 11.476 401 3HD1 LEU 54 3HD1 LEU 54 1.286 -23.196 10.111 402 1HD2 LEU 54 1HD2 LEU 54 -0.721 -25.287 12.456 403 2HD2 LEU 54 2HD2 LEU 54 -2.183 -25.468 11.421 404 3HD2 LEU 54 3HD2 LEU 54 -1.834 -23.888 12.221 Start of MODEL 24 1 1H VAL 1 1HT VAL 1 6.647 18.927 8.365 2 2H VAL 1 2HT VAL 1 6.598 18.413 6.779 3 3H VAL 1 3HT VAL 1 7.927 18.103 7.707 4 HA VAL 1 HA VAL 1 6.354 16.160 7.413 5 HB VAL 1 HB VAL 1 6.916 16.987 10.282 6 1HG1 VAL 1 1HG1 VAL 1 7.031 14.495 10.625 7 2HG1 VAL 1 2HG1 VAL 1 6.464 14.221 8.948 8 3HG1 VAL 1 3HG1 VAL 1 5.385 15.002 10.167 9 1HG2 VAL 1 1HG2 VAL 1 9.036 17.089 9.042 10 2HG2 VAL 1 2HG2 VAL 1 8.675 15.542 8.177 11 3HG2 VAL 1 3HG2 VAL 1 8.980 15.553 9.944 12 H VAL 2 H VAL 2 4.190 15.663 7.170 13 HA VAL 2 HA VAL 2 2.506 16.328 9.399 14 HB VAL 2 HB VAL 2 1.732 16.660 6.468 15 1HG1 VAL 2 1HG1 VAL 2 -0.106 15.448 7.651 16 2HG1 VAL 2 2HG1 VAL 2 -0.565 17.165 7.380 17 3HG1 VAL 2 3HG1 VAL 2 -0.031 16.634 9.011 18 1HG2 VAL 2 1HG2 VAL 2 1.672 18.612 8.867 19 2HG2 VAL 2 2HG2 VAL 2 1.046 18.947 7.216 20 3HG2 VAL 2 3HG2 VAL 2 2.804 18.695 7.463 21 H SER 3 H SER 3 1.380 14.458 9.977 22 HA SER 3 HA SER 3 1.630 12.192 8.093 23 1HB SER 3 2HB SER 3 2.984 11.829 10.177 24 2HB SER 3 1HB SER 3 1.473 11.942 11.137 25 HG SER 3 HG SER 3 1.613 9.834 10.681 26 H HIS 4 H HIS 4 -0.341 12.438 7.042 27 HA HIS 4 HA HIS 4 -2.574 11.728 8.773 28 1HB HIS 4 2HB HIS 4 -2.615 13.897 6.632 29 2HB HIS 4 1HB HIS 4 -4.104 13.034 7.156 30 HD1 HIS 4 1HD HIS 4 -3.687 16.123 7.764 31 HD2 HIS 4 2HD HIS 4 -3.068 12.956 10.459 32 HE1 HIS 4 1HE HIS 4 -3.972 17.053 10.058 33 HE2 HIS 4 2HE HIS 4 -3.631 15.149 11.663 34 H PHE 5 H PHE 5 -3.645 9.995 8.187 35 HA PHE 5 HA PHE 5 -2.745 8.673 5.777 36 1HB PHE 5 2HB PHE 5 -4.662 7.714 7.959 37 2HB PHE 5 1HB PHE 5 -3.926 6.705 6.661 38 HD1 PHE 5 1HD PHE 5 -1.112 7.570 6.682 39 HD2 PHE 5 2HD PHE 5 -3.820 6.887 9.886 40 HE1 PHE 5 1HE PHE 5 0.758 7.038 8.139 41 HE2 PHE 5 2HE PHE 5 -1.941 6.337 11.355 42 HZ PHE 5 HZ PHE 5 0.359 6.421 10.486 43 H ASN 6 H ASN 6 -3.794 8.792 3.906 44 HA ASN 6 HA ASN 6 -6.612 9.649 3.967 45 1HB ASN 6 2HB ASN 6 -4.540 10.108 1.761 46 2HB ASN 6 1HB ASN 6 -6.216 10.766 1.826 47 1HD2 ASN 6 1HD2 ASN 6 -6.451 11.813 4.394 48 2HD2 ASN 6 2HD2 ASN 6 -5.315 13.127 4.512 49 H ASP 7 H ASP 7 -7.600 9.220 1.641 50 HA ASP 7 HA ASP 7 -7.395 6.392 1.117 51 1HB ASP 7 2HB ASP 7 -9.573 6.866 -0.133 52 2HB ASP 7 1HB ASP 7 -9.608 7.096 1.638 53 H CYS 8 H CYS 8 -7.857 5.931 -1.372 54 HA CYS 8 HA CYS 8 -5.959 7.649 -2.844 55 1HB CYS 8 2HB CYS 8 -6.235 4.635 -3.123 56 2HB CYS 8 1HB CYS 8 -4.964 5.698 -3.805 57 HA PRO 9 HA PRO 9 -9.674 6.420 -5.307 58 1HB PRO 9 2HB PRO 9 -11.293 8.631 -5.523 59 2HB PRO 9 1HB PRO 9 -11.298 7.558 -4.077 60 1HG PRO 9 2HG PRO 9 -9.795 10.222 -4.381 61 2HG PRO 9 1HG PRO 9 -10.850 9.669 -3.017 62 1HD PRO 9 2HD PRO 9 -8.061 9.369 -2.969 63 2HD PRO 9 1HD PRO 9 -9.217 8.184 -2.206 64 H LEU 10 H LEU 10 -8.259 9.672 -5.659 65 HA LEU 10 HA LEU 10 -8.689 9.724 -8.464 66 1HB LEU 10 2HB LEU 10 -6.987 11.485 -6.635 67 2HB LEU 10 1HB LEU 10 -7.357 11.862 -8.348 68 HG LEU 10 HG LEU 10 -9.496 11.524 -6.167 69 1HD1 LEU 10 1HD1 LEU 10 -8.278 14.112 -7.301 70 2HD1 LEU 10 2HD1 LEU 10 -7.980 13.447 -5.649 71 3HD1 LEU 10 3HD1 LEU 10 -9.635 13.988 -6.123 72 1HD2 LEU 10 1HD2 LEU 10 -10.386 11.156 -8.475 73 2HD2 LEU 10 2HD2 LEU 10 -9.625 12.700 -9.018 74 3HD2 LEU 10 3HD2 LEU 10 -10.957 12.726 -7.809 75 H SER 11 H SER 11 -5.826 9.246 -6.448 76 HA SER 11 HA SER 11 -4.123 8.915 -8.725 77 1HB SER 11 2HB SER 11 -3.477 10.031 -6.572 78 2HB SER 11 1HB SER 11 -3.529 8.436 -5.760 79 HG SER 11 HG SER 11 -1.495 9.372 -6.709 80 H HIS 12 H HIS 12 -4.495 7.090 -9.922 81 HA HIS 12 HA HIS 12 -4.664 4.521 -8.542 82 1HB HIS 12 2HB HIS 12 -4.731 5.107 -11.539 83 2HB HIS 12 1HB HIS 12 -5.066 3.544 -10.722 84 HD1 HIS 12 1HD HIS 12 -7.125 3.883 -12.306 85 HD2 HIS 12 2HD HIS 12 -7.119 6.313 -8.898 86 HE1 HIS 12 1HE HIS 12 -9.482 4.828 -12.058 87 HE2 HIS 12 2HE HIS 12 -9.451 6.199 -9.960 88 H ASP 13 H ASP 13 -2.703 3.573 -7.986 89 HA ASP 13 HA ASP 13 -0.371 4.323 -9.450 90 1HB ASP 13 2HB ASP 13 0.872 3.063 -7.785 91 2HB ASP 13 1HB ASP 13 -0.291 4.176 -6.995 92 H GLY 14 H GLY 14 1.163 2.713 -10.236 93 1HA GLY 14 2HA GLY 14 -0.248 0.456 -11.528 94 2HA GLY 14 1HA GLY 14 1.213 1.315 -12.129 95 H TYR 15 H TYR 15 1.705 1.124 -8.924 96 HA TYR 15 HA TYR 15 3.622 -0.997 -9.436 97 1HB TYR 15 2HB TYR 15 4.200 1.331 -8.540 98 2HB TYR 15 1HB TYR 15 3.432 0.853 -6.989 99 HD1 TYR 15 1HD TYR 15 6.246 0.320 -9.286 100 HD2 TYR 15 2HD TYR 15 4.434 -0.917 -5.646 101 HE1 TYR 15 1HE TYR 15 8.290 -0.868 -8.670 102 HE2 TYR 15 2HE TYR 15 6.469 -2.116 -5.030 103 HH TYR 15 HH TYR 15 8.436 -2.967 -5.856 104 H CYS 16 H CYS 16 1.093 -0.273 -6.891 105 HA CYS 16 HA CYS 16 1.936 -2.745 -5.622 106 1HB CYS 16 2HB CYS 16 0.178 -0.413 -4.773 107 2HB CYS 16 1HB CYS 16 0.351 -1.912 -3.790 108 H LEU 17 H LEU 17 0.731 -4.543 -5.443 109 HA LEU 17 HA LEU 17 -1.818 -4.546 -6.867 110 1HB LEU 17 2HB LEU 17 -0.035 -6.882 -6.028 111 2HB LEU 17 1HB LEU 17 -1.590 -6.999 -6.894 112 HG LEU 17 HG LEU 17 -0.010 -7.355 -8.505 113 1HD1 LEU 17 1HD1 LEU 17 -0.193 -5.550 -10.142 114 2HD1 LEU 17 2HD1 LEU 17 -0.576 -4.353 -8.863 115 3HD1 LEU 17 3HD1 LEU 17 -1.743 -5.682 -9.234 116 1HD2 LEU 17 1HD2 LEU 17 2.022 -6.081 -8.978 117 2HD2 LEU 17 2HD2 LEU 17 2.034 -6.596 -7.244 118 3HD2 LEU 17 3HD2 LEU 17 1.659 -4.898 -7.689 119 H HIS 18 H HIS 18 -3.552 -5.667 -6.077 120 HA HIS 18 HA HIS 18 -5.191 -5.800 -4.685 121 1HB HIS 18 2HB HIS 18 -3.098 -7.357 -3.233 122 2HB HIS 18 1HB HIS 18 -4.613 -7.008 -2.353 123 HD1 HIS 18 1HD HIS 18 -6.747 -8.007 -3.086 124 HD2 HIS 18 2HD HIS 18 -3.586 -9.085 -5.611 125 HE1 HIS 18 1HE HIS 18 -7.632 -9.789 -4.644 126 HE2 HIS 18 2HE HIS 18 -5.728 -10.398 -6.165 127 H ASP 19 H ASP 19 -4.974 -3.441 -4.829 128 HA ASP 19 HA ASP 19 -5.380 -1.496 -3.983 129 1HB ASP 19 2HB ASP 19 -6.505 -3.259 -1.783 130 2HB ASP 19 1HB ASP 19 -6.550 -1.467 -1.613 131 H GLY 20 H GLY 20 -3.197 -0.841 -4.080 132 1HA GLY 20 2HA GLY 20 -1.495 -1.015 -1.850 133 2HA GLY 20 1HA GLY 20 -1.381 0.056 -3.288 134 H VAL 21 H VAL 21 -1.528 0.128 0.030 135 HA VAL 21 HA VAL 21 -3.310 2.354 0.230 136 HB VAL 21 HB VAL 21 -1.502 1.040 2.258 137 1HG1 VAL 21 1HG1 VAL 21 -1.833 3.446 2.887 138 2HG1 VAL 21 2HG1 VAL 21 -2.855 2.392 3.912 139 3HG1 VAL 21 3HG1 VAL 21 -3.603 3.303 2.556 140 1HG2 VAL 21 1HG2 VAL 21 -3.732 0.242 3.127 141 2HG2 VAL 21 2HG2 VAL 21 -3.446 -0.352 1.452 142 3HG2 VAL 21 3HG2 VAL 21 -4.560 1.034 1.740 143 H CYS 22 H CYS 22 -2.803 4.268 -0.458 144 HA CYS 22 HA CYS 22 -0.103 4.929 -1.052 145 1HB CYS 22 2HB CYS 22 -1.084 6.983 -2.012 146 2HB CYS 22 1HB CYS 22 -1.864 5.495 -2.616 147 H MET 23 H MET 23 1.319 6.229 0.060 148 HA MET 23 HA MET 23 0.028 8.203 1.786 149 1HB MET 23 2HB MET 23 1.662 8.240 3.433 150 2HB MET 23 1HB MET 23 0.937 6.624 3.302 151 1HG MET 23 2HG MET 23 3.026 5.911 3.540 152 2HG MET 23 1HG MET 23 3.083 6.112 1.770 153 1HE MET 23 1HE MET 23 3.254 8.390 5.033 154 2HE MET 23 2HE MET 23 5.030 8.573 5.189 155 3HE MET 23 3HE MET 23 4.295 6.941 5.236 156 H TYR 24 H TYR 24 -0.086 9.827 0.541 157 HA TYR 24 HA TYR 24 2.464 10.977 -0.323 158 1HB TYR 24 2HB TYR 24 1.433 10.286 -2.441 159 2HB TYR 24 1HB TYR 24 -0.183 10.901 -1.890 160 HD1 TYR 24 1HD TYR 24 3.302 12.339 -2.063 161 HD2 TYR 24 2HD TYR 24 -0.830 12.661 -3.034 162 HE1 TYR 24 1HE TYR 24 3.709 14.527 -3.037 163 HE2 TYR 24 2HE TYR 24 -0.443 14.829 -4.024 164 HH TYR 24 HH TYR 24 2.765 16.412 -3.861 165 H ILE 25 H ILE 25 2.777 12.557 1.191 166 HA ILE 25 HA ILE 25 0.390 14.033 2.057 167 HB ILE 25 HB ILE 25 3.072 13.634 3.415 168 1HG1 ILE 25 2HG1 ILE 25 1.350 12.718 5.203 169 2HG1 ILE 25 1HG1 ILE 25 0.313 12.369 3.793 170 1HG2 ILE 25 1HG2 ILE 25 0.484 15.163 4.130 171 2HG2 ILE 25 2HG2 ILE 25 2.107 15.890 3.793 172 3HG2 ILE 25 3HG2 ILE 25 1.861 14.871 5.261 173 1HD1 ILE 25 1HD1 ILE 25 3.210 11.338 4.239 174 2HD1 ILE 25 2HD1 ILE 25 2.129 10.852 2.881 175 3HD1 ILE 25 3HD1 ILE 25 1.709 10.406 4.567 176 H GLU 26 H GLU 26 0.173 15.886 1.021 177 HA GLU 26 HA GLU 26 2.016 16.806 -0.786 178 1HB GLU 26 2HB GLU 26 -0.473 18.128 0.403 179 2HB GLU 26 1HB GLU 26 0.412 18.697 -1.051 180 1HG GLU 26 2HG GLU 26 0.094 16.408 -2.085 181 2HG GLU 26 1HG GLU 26 -1.005 15.961 -0.734 182 H ALA 27 H ALA 27 1.496 17.865 2.533 183 HA ALA 27 HA ALA 27 2.988 20.138 2.590 184 1HB ALA 27 1HB ALA 27 1.634 19.172 4.477 185 2HB ALA 27 2HB ALA 27 3.296 19.601 5.015 186 3HB ALA 27 3HB ALA 27 2.863 17.878 4.685 187 H LEU 28 H LEU 28 4.182 16.826 2.621 188 HA LEU 28 HA LEU 28 6.946 17.667 2.973 189 1HB LEU 28 2HB LEU 28 5.562 14.962 2.683 190 2HB LEU 28 1HB LEU 28 7.343 15.151 2.709 191 HG LEU 28 HG LEU 28 6.245 16.597 4.973 192 1HD1 LEU 28 1HD1 LEU 28 5.281 13.683 4.636 193 2HD1 LEU 28 2HD1 LEU 28 4.281 15.163 4.921 194 3HD1 LEU 28 3HD1 LEU 28 5.365 14.517 6.220 195 1HD2 LEU 28 1HD2 LEU 28 7.789 15.010 6.205 196 2HD2 LEU 28 2HD2 LEU 28 8.566 15.776 4.767 197 3HD2 LEU 28 3HD2 LEU 28 7.994 14.070 4.689 198 H ASP 29 H ASP 29 4.750 16.208 0.655 199 HA ASP 29 HA ASP 29 4.607 15.946 -1.402 200 1HB ASP 29 2HB ASP 29 5.613 18.282 -1.484 201 2HB ASP 29 1HB ASP 29 7.139 17.519 -2.026 202 H LYS 30 H LYS 30 6.000 14.072 0.311 203 HA LYS 30 HA LYS 30 7.501 12.600 -1.719 204 1HB LYS 30 2HB LYS 30 8.682 11.445 -0.065 205 2HB LYS 30 1HB LYS 30 8.816 13.206 0.157 206 1HG LYS 30 2HG LYS 30 8.681 12.425 2.317 207 2HG LYS 30 1HG LYS 30 7.016 13.003 1.999 208 1HD LYS 30 2HD LYS 30 6.311 10.668 1.526 209 2HD LYS 30 1HD LYS 30 7.955 10.058 1.821 210 1HE LYS 30 2HE LYS 30 6.363 11.631 3.968 211 2HE LYS 30 1HE LYS 30 6.104 9.870 3.705 212 1HZ LYS 30 1HZ LYS 30 8.328 9.408 4.323 213 2HZ LYS 30 2HZ LYS 30 7.622 10.398 5.464 214 3HZ LYS 30 3HZ LYS 30 8.755 11.062 4.427 215 H TYR 31 H TYR 31 7.180 10.498 -2.112 216 HA TYR 31 HA TYR 31 4.462 9.535 -1.612 217 1HB TYR 31 2HB TYR 31 6.476 9.451 -3.894 218 2HB TYR 31 1HB TYR 31 5.417 8.028 -3.728 219 HD1 TYR 31 1HD TYR 31 3.257 8.014 -4.415 220 HD2 TYR 31 2HD TYR 31 5.372 11.694 -4.265 221 HE1 TYR 31 1HE TYR 31 1.562 9.035 -5.846 222 HE2 TYR 31 2HE TYR 31 3.649 12.740 -5.662 223 HH TYR 31 HH TYR 31 1.285 10.840 -7.326 224 H ALA 32 H ALA 32 4.073 7.511 -0.817 225 HA ALA 32 HA ALA 32 5.890 5.515 -1.667 226 1HB ALA 32 1HB ALA 32 6.884 6.045 0.589 227 2HB ALA 32 2HB ALA 32 6.257 4.369 0.495 228 3HB ALA 32 3HB ALA 32 5.308 5.638 1.350 229 H CYS 33 H CYS 33 5.004 3.275 -0.890 230 HA CYS 33 HA CYS 33 2.078 3.274 -0.760 231 1HB CYS 33 2HB CYS 33 2.805 2.595 -3.057 232 2HB CYS 33 1HB CYS 33 3.967 1.450 -2.345 233 H ASN 34 H ASN 34 1.318 1.939 0.879 234 HA ASN 34 HA ASN 34 3.296 0.178 2.151 235 1HB ASN 34 2HB ASN 34 2.076 2.093 3.513 236 2HB ASN 34 1HB ASN 34 0.658 1.004 3.470 237 1HD2 ASN 34 1HD2 ASN 34 1.184 -1.373 4.328 238 2HD2 ASN 34 2HD2 ASN 34 2.323 -1.438 5.646 239 H CYS 35 H CYS 35 2.805 -2.002 2.229 240 HA CYS 35 HA CYS 35 0.630 -2.768 0.433 241 1HB CYS 35 2HB CYS 35 3.097 -4.287 1.428 242 2HB CYS 35 1HB CYS 35 1.889 -4.902 0.251 243 H VAL 36 H VAL 36 -0.231 -5.083 0.978 244 HA VAL 36 HA VAL 36 -1.430 -4.941 3.529 245 HB VAL 36 HB VAL 36 -1.431 -7.251 1.586 246 1HG1 VAL 36 1HG1 VAL 36 -3.767 -7.587 2.544 247 2HG1 VAL 36 2HG1 VAL 36 -3.393 -6.378 3.819 248 3HG1 VAL 36 3HG1 VAL 36 -2.464 -7.939 3.712 249 1HG2 VAL 36 1HG2 VAL 36 -3.156 -4.699 1.675 250 2HG2 VAL 36 2HG2 VAL 36 -3.592 -6.188 0.762 251 3HG2 VAL 36 3HG2 VAL 36 -2.126 -5.280 0.309 252 H VAL 37 H VAL 37 -1.410 -6.655 5.139 253 HA VAL 37 HA VAL 37 1.300 -7.286 5.800 254 HB VAL 37 HB VAL 37 -1.257 -7.834 7.325 255 1HG1 VAL 37 1HG1 VAL 37 0.347 -8.015 9.270 256 2HG1 VAL 37 2HG1 VAL 37 1.735 -7.933 8.129 257 3HG1 VAL 37 3HG1 VAL 37 0.593 -9.336 8.084 258 1HG2 VAL 37 1HG2 VAL 37 -0.459 -5.827 8.651 259 2HG2 VAL 37 2HG2 VAL 37 -0.893 -5.387 6.964 260 3HG2 VAL 37 3HG2 VAL 37 0.839 -5.559 7.437 261 H GLY 38 H GLY 38 2.301 -9.066 5.403 262 1HA GLY 38 2HA GLY 38 2.629 -11.321 5.407 263 2HA GLY 38 1HA GLY 38 0.890 -11.604 5.066 264 H TYR 39 H TYR 39 2.700 -9.196 3.269 265 HA TYR 39 HA TYR 39 2.658 -10.985 0.939 266 1HB TYR 39 2HB TYR 39 1.889 -8.035 1.150 267 2HB TYR 39 1HB TYR 39 2.329 -8.822 -0.413 268 HD1 TYR 39 1HD TYR 39 0.761 -10.031 -1.590 269 HD2 TYR 39 2HD TYR 39 0.008 -9.149 2.495 270 HE1 TYR 39 1HE TYR 39 -1.527 -10.865 -1.832 271 HE2 TYR 39 2HE TYR 39 -2.250 -10.020 2.281 272 HH TYR 39 HH TYR 39 -3.624 -11.223 0.998 273 H ILE 40 H ILE 40 4.276 -10.942 -0.464 274 HA ILE 40 HA ILE 40 6.727 -9.573 0.325 275 HB ILE 40 HB ILE 40 7.899 -11.772 -0.202 276 1HG1 ILE 40 2HG1 ILE 40 5.114 -12.923 0.413 277 2HG1 ILE 40 1HG1 ILE 40 5.786 -12.803 -1.242 278 1HG2 ILE 40 1HG2 ILE 40 7.662 -12.523 2.122 279 2HG2 ILE 40 2HG2 ILE 40 6.097 -11.665 2.297 280 3HG2 ILE 40 3HG2 ILE 40 7.625 -10.726 2.084 281 1HD1 ILE 40 1HD1 ILE 40 6.157 -15.077 -0.347 282 2HD1 ILE 40 2HD1 ILE 40 6.992 -14.421 1.099 283 3HD1 ILE 40 3HD1 ILE 40 7.747 -14.242 -0.526 284 H GLY 41 H GLY 41 8.436 -10.115 -1.514 285 1HA GLY 41 2HA GLY 41 8.821 -10.278 -3.746 286 2HA GLY 41 1HA GLY 41 7.084 -10.026 -4.110 287 H GLU 42 H GLU 42 8.945 -8.697 -5.590 288 HA GLU 42 HA GLU 42 9.927 -6.354 -4.563 289 1HB GLU 42 2HB GLU 42 9.188 -7.141 -7.432 290 2HB GLU 42 1HB GLU 42 10.208 -5.737 -6.997 291 1HG GLU 42 2HG GLU 42 10.898 -8.686 -6.359 292 2HG GLU 42 1HG GLU 42 11.565 -7.716 -7.712 293 H ARG 43 H ARG 43 6.866 -6.900 -6.295 294 HA ARG 43 HA ARG 43 6.033 -4.219 -5.385 295 1HB ARG 43 2HB ARG 43 4.401 -4.250 -7.262 296 2HB ARG 43 1HB ARG 43 6.117 -4.139 -7.726 297 1HG ARG 43 2HG ARG 43 6.150 -6.580 -8.254 298 2HG ARG 43 1HG ARG 43 4.380 -6.670 -7.949 299 1HD ARG 43 2HD ARG 43 3.920 -5.127 -9.801 300 2HD ARG 43 1HD ARG 43 5.675 -4.716 -9.974 301 HE ARG 43 HE ARG 43 5.869 -7.358 -10.340 302 1HH1 ARG 43 1HH1 ARG 43 3.998 -4.816 -12.000 303 2HH1 ARG 43 2HH1 ARG 43 3.908 -5.732 -13.461 304 1HH2 ARG 43 1HH2 ARG 43 5.628 -8.544 -12.254 305 2HH2 ARG 43 2HH2 ARG 43 4.847 -7.831 -13.626 306 H CYS 44 H CYS 44 6.029 -6.528 -3.733 307 HA CYS 44 HA CYS 44 4.773 -7.509 -2.260 308 1HB CYS 44 2HB CYS 44 2.790 -5.271 -2.864 309 2HB CYS 44 1HB CYS 44 2.759 -6.317 -1.414 310 H GLN 45 H GLN 45 4.487 -8.590 -4.893 311 HA GLN 45 HA GLN 45 1.688 -8.912 -5.362 312 1HB GLN 45 2HB GLN 45 3.590 -8.603 -7.082 313 2HB GLN 45 1HB GLN 45 3.976 -10.323 -6.806 314 1HG GLN 45 2HG GLN 45 1.456 -10.810 -7.399 315 2HG GLN 45 1HG GLN 45 1.358 -9.060 -7.833 316 1HE2 GLN 45 1HE2 GLN 45 2.392 -8.334 -9.706 317 2HE2 GLN 45 2HE2 GLN 45 3.015 -9.432 -10.925 318 H TYR 46 H TYR 46 4.164 -10.919 -3.810 319 HA TYR 46 HA TYR 46 2.440 -13.253 -4.206 320 1HB TYR 46 2HB TYR 46 5.121 -13.682 -3.009 321 2HB TYR 46 1HB TYR 46 4.215 -14.645 -4.209 322 HD1 TYR 46 1HD TYR 46 7.083 -13.049 -3.725 323 HD2 TYR 46 2HD TYR 46 3.917 -13.031 -6.566 324 HE1 TYR 46 1HE TYR 46 8.610 -12.188 -5.417 325 HE2 TYR 46 2HE TYR 46 5.430 -12.147 -8.245 326 HH TYR 46 HH TYR 46 8.869 -11.565 -7.537 327 H ARG 47 H ARG 47 1.970 -14.617 -2.349 328 HA ARG 47 HA ARG 47 1.856 -12.999 0.100 329 1HB ARG 47 2HB ARG 47 -0.251 -13.626 -0.902 330 2HB ARG 47 1HB ARG 47 0.178 -15.355 -0.839 331 1HG ARG 47 2HG ARG 47 -0.090 -15.451 1.530 332 2HG ARG 47 1HG ARG 47 0.209 -13.699 1.728 333 1HD ARG 47 2HD ARG 47 -2.169 -14.318 2.190 334 2HD ARG 47 1HD ARG 47 -1.962 -13.078 0.884 335 HE ARG 47 HE ARG 47 -2.008 -15.600 -0.440 336 1HH1 ARG 47 1HH1 ARG 47 -4.307 -13.530 1.418 337 2HH1 ARG 47 2HH1 ARG 47 -5.638 -14.090 0.477 338 1HH2 ARG 47 1HH2 ARG 47 -3.797 -16.498 -1.313 339 2HH2 ARG 47 2HH2 ARG 47 -5.404 -15.996 -0.850 340 H ASP 48 H ASP 48 2.519 -13.761 2.073 341 HA ASP 48 HA ASP 48 4.477 -15.869 1.985 342 1HB ASP 48 2HB ASP 48 4.656 -13.450 3.004 343 2HB ASP 48 1HB ASP 48 3.692 -14.100 4.370 344 H LEU 49 H LEU 49 3.862 -17.897 2.382 345 HA LEU 49 HA LEU 49 1.140 -18.277 3.172 346 1HB LEU 49 2HB LEU 49 3.184 -20.309 2.210 347 2HB LEU 49 1HB LEU 49 1.404 -20.508 2.256 348 HG LEU 49 HG LEU 49 2.931 -18.494 0.502 349 1HD1 LEU 49 1HD1 LEU 49 3.318 -20.871 -0.176 350 2HD1 LEU 49 2HD1 LEU 49 2.322 -19.977 -1.382 351 3HD1 LEU 49 3HD1 LEU 49 1.536 -21.135 -0.246 352 1HD2 LEU 49 1HD2 LEU 49 -0.064 -19.245 0.548 353 2HD2 LEU 49 2HD2 LEU 49 0.747 -18.200 -0.675 354 3HD2 LEU 49 3HD2 LEU 49 0.648 -17.655 1.032 355 H LYS 50 H LYS 50 4.085 -18.679 4.888 356 HA LYS 50 HA LYS 50 3.879 -21.235 5.598 357 1HB LYS 50 2HB LYS 50 5.329 -18.960 7.022 358 2HB LYS 50 1HB LYS 50 5.536 -20.681 7.455 359 1HG LYS 50 2HG LYS 50 7.350 -20.154 6.141 360 2HG LYS 50 1HG LYS 50 6.310 -21.194 5.123 361 1HD LYS 50 2HD LYS 50 5.630 -19.300 3.755 362 2HD LYS 50 1HD LYS 50 6.222 -18.127 4.990 363 1HE LYS 50 2HE LYS 50 8.574 -18.794 4.537 364 2HE LYS 50 1HE LYS 50 8.019 -19.966 3.270 365 1HZ LYS 50 1HZ LYS 50 7.352 -17.065 3.242 366 2HZ LYS 50 2HZ LYS 50 7.098 -18.148 2.022 367 3HZ LYS 50 3HZ LYS 50 8.705 -17.731 2.442 368 H TRP 51 H TRP 51 2.311 -18.682 7.508 369 HA TRP 51 HA TRP 51 1.975 -20.578 9.675 370 1HB TRP 51 2HB TRP 51 0.875 -18.813 10.892 371 2HB TRP 51 1HB TRP 51 2.491 -18.345 10.292 372 HD1 TRP 51 HD TRP 51 -1.178 -17.256 10.036 373 HE1 TRP 51 1HE TRP 51 -1.271 -15.086 8.650 374 HE3 TRP 51 3HE TRP 51 3.649 -17.111 8.448 375 HZ2 TRP 51 2HZ TRP 51 0.520 -13.453 7.238 376 HZ3 TRP 51 3HZ TRP 51 4.379 -15.230 7.069 377 HH2 TRP 51 HH TRP 51 2.860 -13.435 6.476 378 H TRP 52 H TRP 52 -0.104 -19.088 7.219 379 HA TRP 52 HA TRP 52 -2.430 -20.167 8.503 380 1HB TRP 52 2HB TRP 52 -3.680 -18.737 6.983 381 2HB TRP 52 1HB TRP 52 -2.390 -17.836 7.823 382 HD1 TRP 52 HD TRP 52 -0.224 -17.041 6.224 383 HE1 TRP 52 1HE TRP 52 -0.050 -16.722 3.715 384 HE3 TRP 52 3HE TRP 52 -4.427 -19.538 4.833 385 HZ2 TRP 52 2HZ TRP 52 -1.618 -17.315 1.409 386 HZ3 TRP 52 3HZ TRP 52 -4.996 -19.664 2.462 387 HH2 TRP 52 HH TRP 52 -3.615 -18.571 0.775 388 H GLU 53 H GLU 53 -0.408 -21.596 6.343 389 HA GLU 53 HA GLU 53 -2.082 -22.345 4.287 390 1HB GLU 53 2HB GLU 53 -0.204 -23.787 3.649 391 2HB GLU 53 1HB GLU 53 0.316 -22.150 4.073 392 1HG GLU 53 2HG GLU 53 1.281 -22.769 6.156 393 2HG GLU 53 1HG GLU 53 0.402 -24.333 6.233 394 H LEU 54 H LEU 54 -3.621 -23.052 6.371 395 HA LEU 54 HA LEU 54 -3.559 -25.922 6.740 396 1HB LEU 54 2HB LEU 54 -5.270 -23.636 7.776 397 2HB LEU 54 1HB LEU 54 -5.783 -25.333 7.974 398 HG LEU 54 HG LEU 54 -4.790 -24.494 9.985 399 1HD1 LEU 54 1HD1 LEU 54 -4.577 -26.926 9.431 400 2HD1 LEU 54 2HD1 LEU 54 -3.247 -26.330 10.492 401 3HD1 LEU 54 3HD1 LEU 54 -2.937 -26.616 8.744 402 1HD2 LEU 54 1HD2 LEU 54 -2.420 -23.944 10.281 403 2HD2 LEU 54 2HD2 LEU 54 -3.163 -22.827 9.077 404 3HD2 LEU 54 3HD2 LEU 54 -2.097 -24.179 8.527 Start of MODEL 25 1 1H VAL 1 1HT VAL 1 6.041 19.789 6.125 2 2H VAL 1 2HT VAL 1 6.414 20.902 7.317 3 3H VAL 1 3HT VAL 1 4.885 20.889 6.656 4 HA VAL 1 HA VAL 1 5.964 18.545 8.057 5 HB VAL 1 HB VAL 1 4.758 19.281 10.117 6 1HG1 VAL 1 1HG1 VAL 1 6.566 20.728 10.894 7 2HG1 VAL 1 2HG1 VAL 1 7.126 21.041 9.219 8 3HG1 VAL 1 3HG1 VAL 1 7.228 19.377 9.913 9 1HG2 VAL 1 1HG2 VAL 1 4.718 22.044 8.715 10 2HG2 VAL 1 2HG2 VAL 1 4.264 21.673 10.407 11 3HG2 VAL 1 3HG2 VAL 1 3.268 21.029 9.064 12 H VAL 2 H VAL 2 4.336 17.042 8.879 13 HA VAL 2 HA VAL 2 2.028 17.036 7.158 14 HB VAL 2 HB VAL 2 3.510 15.107 7.399 15 1HG1 VAL 2 1HG1 VAL 2 4.047 15.331 9.868 16 2HG1 VAL 2 2HG1 VAL 2 3.436 13.702 9.413 17 3HG1 VAL 2 3HG1 VAL 2 2.349 14.852 10.253 18 1HG2 VAL 2 1HG2 VAL 2 1.139 14.871 6.633 19 2HG2 VAL 2 2HG2 VAL 2 0.617 14.590 8.339 20 3HG2 VAL 2 3HG2 VAL 2 1.723 13.433 7.533 21 H SER 3 H SER 3 -0.129 17.094 7.902 22 HA SER 3 HA SER 3 -0.443 17.594 10.792 23 1HB SER 3 2HB SER 3 -2.490 18.871 10.281 24 2HB SER 3 1HB SER 3 -0.993 19.644 9.679 25 HG SER 3 HG SER 3 -2.524 19.728 8.101 26 H HIS 4 H HIS 4 -2.104 16.308 7.895 27 HA HIS 4 HA HIS 4 -3.072 14.118 9.615 28 1HB HIS 4 2HB HIS 4 -4.809 15.915 8.781 29 2HB HIS 4 1HB HIS 4 -4.600 15.167 7.178 30 HD1 HIS 4 1HD HIS 4 -5.582 14.335 10.753 31 HD2 HIS 4 2HD HIS 4 -6.298 12.906 6.871 32 HE1 HIS 4 1HE HIS 4 -7.405 12.613 10.934 33 HE2 HIS 4 2HE HIS 4 -7.854 11.809 8.579 34 H PHE 5 H PHE 5 -3.152 12.027 8.624 35 HA PHE 5 HA PHE 5 -1.506 11.821 6.225 36 1HB PHE 5 2HB PHE 5 -2.360 9.886 8.428 37 2HB PHE 5 1HB PHE 5 -1.805 9.255 6.846 38 HD1 PHE 5 1HD PHE 5 -0.734 11.509 9.642 39 HD2 PHE 5 2HD PHE 5 0.391 9.138 6.305 40 HE1 PHE 5 1HE PHE 5 1.612 11.757 10.264 41 HE2 PHE 5 2HE PHE 5 2.747 9.405 6.900 42 HZ PHE 5 HZ PHE 5 3.366 10.709 8.897 43 H ASN 6 H ASN 6 -2.140 10.598 4.432 44 HA ASN 6 HA ASN 6 -5.050 10.596 4.045 45 1HB ASN 6 2HB ASN 6 -2.802 10.713 1.956 46 2HB ASN 6 1HB ASN 6 -4.568 10.863 1.641 47 1HD2 ASN 6 1HD2 ASN 6 -2.053 12.705 1.393 48 2HD2 ASN 6 2HD2 ASN 6 -2.621 14.215 2.075 49 H ASP 7 H ASP 7 -6.000 8.896 2.846 50 HA ASP 7 HA ASP 7 -4.342 6.519 2.441 51 1HB ASP 7 2HB ASP 7 -6.407 5.249 2.189 52 2HB ASP 7 1HB ASP 7 -6.360 6.067 3.771 53 H CYS 8 H CYS 8 -5.718 5.421 0.270 54 HA CYS 8 HA CYS 8 -4.264 6.640 -1.661 55 1HB CYS 8 2HB CYS 8 -6.552 4.642 -1.751 56 2HB CYS 8 1HB CYS 8 -5.849 5.229 -3.279 57 HA PRO 9 HA PRO 9 -6.877 9.848 -3.002 58 1HB PRO 9 2HB PRO 9 -5.668 10.666 -5.310 59 2HB PRO 9 1HB PRO 9 -4.755 10.671 -3.755 60 1HG PRO 9 2HG PRO 9 -4.748 8.439 -5.882 61 2HG PRO 9 1HG PRO 9 -3.313 9.309 -5.180 62 1HD PRO 9 2HD PRO 9 -4.316 6.902 -4.172 63 2HD PRO 9 1HD PRO 9 -3.548 8.158 -3.091 64 H LEU 10 H LEU 10 -8.050 10.638 -5.091 65 HA LEU 10 HA LEU 10 -10.011 8.829 -5.627 66 1HB LEU 10 2HB LEU 10 -9.224 11.362 -7.166 67 2HB LEU 10 1HB LEU 10 -10.763 10.476 -7.333 68 HG LEU 10 HG LEU 10 -11.103 10.887 -4.789 69 1HD1 LEU 10 1HD1 LEU 10 -10.177 13.126 -4.034 70 2HD1 LEU 10 2HD1 LEU 10 -9.038 13.103 -5.421 71 3HD1 LEU 10 3HD1 LEU 10 -8.914 11.860 -4.110 72 1HD2 LEU 10 1HD2 LEU 10 -11.246 13.178 -6.848 73 2HD2 LEU 10 2HD2 LEU 10 -12.192 13.069 -5.319 74 3HD2 LEU 10 3HD2 LEU 10 -12.463 11.865 -6.629 75 H SER 11 H SER 11 -7.144 9.554 -7.583 76 HA SER 11 HA SER 11 -8.016 7.827 -9.707 77 1HB SER 11 2HB SER 11 -5.207 8.929 -9.227 78 2HB SER 11 1HB SER 11 -5.847 8.196 -10.742 79 HG SER 11 HG SER 11 -6.497 10.622 -9.486 80 H HIS 12 H HIS 12 -7.224 5.807 -10.239 81 HA HIS 12 HA HIS 12 -6.512 4.218 -7.987 82 1HB HIS 12 2HB HIS 12 -8.137 3.678 -9.891 83 2HB HIS 12 1HB HIS 12 -6.722 3.384 -10.931 84 HD1 HIS 12 1HD HIS 12 -5.080 1.287 -9.718 85 HD2 HIS 12 2HD HIS 12 -9.172 1.530 -8.775 86 HE1 HIS 12 1HE HIS 12 -5.759 -0.944 -8.847 87 HE2 HIS 12 2HE HIS 12 -8.201 -0.848 -8.409 88 H ASP 13 H ASP 13 -4.647 2.911 -7.675 89 HA ASP 13 HA ASP 13 -2.238 3.939 -8.647 90 1HB ASP 13 2HB ASP 13 -1.294 2.002 -7.280 91 2HB ASP 13 1HB ASP 13 -2.359 3.140 -6.386 92 H GLY 14 H GLY 14 -0.589 2.815 -9.710 93 1HA GLY 14 2HA GLY 14 -1.376 0.496 -11.323 94 2HA GLY 14 1HA GLY 14 -0.694 1.981 -12.079 95 H TYR 15 H TYR 15 1.202 2.522 -9.947 96 HA TYR 15 HA TYR 15 3.276 0.814 -10.802 97 1HB TYR 15 2HB TYR 15 3.520 3.261 -10.366 98 2HB TYR 15 1HB TYR 15 3.119 2.998 -8.640 99 HD1 TYR 15 1HD TYR 15 4.921 2.952 -7.238 100 HD2 TYR 15 2HD TYR 15 5.455 1.590 -11.229 101 HE1 TYR 15 1HE TYR 15 7.285 2.534 -6.778 102 HE2 TYR 15 2HE TYR 15 7.810 1.153 -10.772 103 HH TYR 15 HH TYR 15 9.432 1.080 -9.158 104 H CYS 16 H CYS 16 1.223 0.898 -7.954 105 HA CYS 16 HA CYS 16 2.946 -1.010 -6.578 106 1HB CYS 16 2HB CYS 16 0.483 0.491 -5.584 107 2HB CYS 16 1HB CYS 16 1.607 -0.508 -4.594 108 H LEU 17 H LEU 17 2.285 -3.138 -6.122 109 HA LEU 17 HA LEU 17 0.307 -3.962 -8.069 110 1HB LEU 17 2HB LEU 17 2.779 -5.169 -6.932 111 2HB LEU 17 1HB LEU 17 1.487 -6.267 -7.479 112 HG LEU 17 HG LEU 17 1.408 -5.199 -9.692 113 1HD1 LEU 17 1HD1 LEU 17 2.176 -2.933 -9.385 114 2HD1 LEU 17 2HD1 LEU 17 3.409 -3.742 -10.399 115 3HD1 LEU 17 3HD1 LEU 17 3.724 -3.462 -8.644 116 1HD2 LEU 17 1HD2 LEU 17 3.540 -6.174 -10.520 117 2HD2 LEU 17 2HD2 LEU 17 2.735 -7.225 -9.295 118 3HD2 LEU 17 3HD2 LEU 17 4.171 -6.237 -8.826 119 H HIS 18 H HIS 18 -0.946 -5.767 -7.824 120 HA HIS 18 HA HIS 18 -2.846 -6.460 -7.161 121 1HB HIS 18 2HB HIS 18 -1.165 -7.961 -6.011 122 2HB HIS 18 1HB HIS 18 -1.563 -7.118 -4.486 123 HD1 HIS 18 1HD HIS 18 -1.930 -10.057 -4.770 124 HD2 HIS 18 2HD HIS 18 -5.054 -7.412 -5.668 125 HE1 HIS 18 1HE HIS 18 -4.076 -11.350 -4.514 126 HE2 HIS 18 2HE HIS 18 -5.922 -9.786 -5.145 127 H ASP 19 H ASP 19 -2.969 -3.831 -7.030 128 HA ASP 19 HA ASP 19 -3.932 -2.074 -6.248 129 1HB ASP 19 2HB ASP 19 -5.891 -3.989 -4.911 130 2HB ASP 19 1HB ASP 19 -6.195 -2.259 -5.337 131 H GLY 20 H GLY 20 -2.305 -1.171 -5.126 132 1HA GLY 20 2HA GLY 20 -1.600 -2.292 -2.580 133 2HA GLY 20 1HA GLY 20 -0.798 -0.969 -3.492 134 H VAL 21 H VAL 21 -1.203 -1.154 -0.598 135 HA VAL 21 HA VAL 21 -3.298 0.721 -0.042 136 HB VAL 21 HB VAL 21 -1.267 -0.567 1.790 137 1HG1 VAL 21 1HG1 VAL 21 -2.254 1.551 2.736 138 2HG1 VAL 21 2HG1 VAL 21 -2.947 0.105 3.552 139 3HG1 VAL 21 3HG1 VAL 21 -3.908 0.973 2.304 140 1HG2 VAL 21 1HG2 VAL 21 -2.707 -2.299 0.715 141 2HG2 VAL 21 2HG2 VAL 21 -4.179 -1.311 1.067 142 3HG2 VAL 21 3HG2 VAL 21 -3.226 -2.029 2.411 143 H CYS 22 H CYS 22 -2.724 2.608 -1.039 144 HA CYS 22 HA CYS 22 -0.018 3.558 -0.724 145 1HB CYS 22 2HB CYS 22 -0.364 4.861 -2.651 146 2HB CYS 22 1HB CYS 22 -0.933 3.204 -2.941 147 H MET 23 H MET 23 0.659 5.531 -0.075 148 HA MET 23 HA MET 23 -1.340 7.426 0.838 149 1HB MET 23 2HB MET 23 -0.149 7.719 3.023 150 2HB MET 23 1HB MET 23 -1.089 6.221 2.827 151 1HG MET 23 2HG MET 23 1.009 4.951 2.284 152 2HG MET 23 1HG MET 23 1.968 6.421 2.620 153 1HE MET 23 1HE MET 23 1.487 7.831 4.829 154 2HE MET 23 2HE MET 23 3.019 6.890 4.784 155 3HE MET 23 3HE MET 23 2.039 6.939 6.291 156 H TYR 24 H TYR 24 -0.910 9.071 -0.422 157 HA TYR 24 HA TYR 24 1.837 9.988 -0.689 158 1HB TYR 24 2HB TYR 24 0.133 9.641 -2.684 159 2HB TYR 24 1HB TYR 24 -0.628 11.164 -2.101 160 HD1 TYR 24 1HD TYR 24 1.055 13.151 -1.766 161 HD2 TYR 24 2HD TYR 24 1.726 9.744 -4.220 162 HE1 TYR 24 1HE TYR 24 2.722 14.393 -3.009 163 HE2 TYR 24 2HE TYR 24 3.388 10.962 -5.483 164 HH TYR 24 HH TYR 24 4.034 14.415 -4.826 165 H ILE 25 H ILE 25 2.590 11.616 0.643 166 HA ILE 25 HA ILE 25 0.533 13.313 1.882 167 HB ILE 25 HB ILE 25 3.365 12.667 2.745 168 1HG1 ILE 25 2HG1 ILE 25 2.044 10.646 3.028 169 2HG1 ILE 25 1HG1 ILE 25 2.395 11.415 4.593 170 1HG2 ILE 25 1HG2 ILE 25 2.583 13.832 4.850 171 2HG2 ILE 25 2HG2 ILE 25 1.040 14.262 4.010 172 3HG2 ILE 25 3HG2 ILE 25 2.615 14.920 3.407 173 1HD1 ILE 25 1HD1 ILE 25 0.061 12.328 4.710 174 2HD1 ILE 25 2HD1 ILE 25 0.071 10.537 4.513 175 3HD1 ILE 25 3HD1 ILE 25 -0.312 11.584 3.105 176 H GLU 26 H GLU 26 0.323 14.954 0.431 177 HA GLU 26 HA GLU 26 2.422 15.872 -1.160 178 1HB GLU 26 2HB GLU 26 -0.233 17.167 -0.424 179 2HB GLU 26 1HB GLU 26 0.904 17.763 -1.682 180 1HG GLU 26 2HG GLU 26 0.617 15.618 -2.964 181 2HG GLU 26 1HG GLU 26 -0.622 15.082 -1.764 182 H ALA 27 H ALA 27 1.411 16.872 2.064 183 HA ALA 27 HA ALA 27 2.719 19.291 2.180 184 1HB ALA 27 1HB ALA 27 2.423 17.181 4.411 185 2HB ALA 27 2HB ALA 27 1.154 18.368 3.928 186 3HB ALA 27 3HB ALA 27 2.708 18.945 4.628 187 H LEU 28 H LEU 28 4.001 16.048 2.789 188 HA LEU 28 HA LEU 28 6.619 17.109 3.403 189 1HB LEU 28 2HB LEU 28 5.613 14.218 3.198 190 2HB LEU 28 1HB LEU 28 7.188 14.750 3.869 191 HG LEU 28 HG LEU 28 4.401 15.340 5.029 192 1HD1 LEU 28 1HD1 LEU 28 6.727 13.570 6.019 193 2HD1 LEU 28 2HD1 LEU 28 5.147 12.998 5.353 194 3HD1 LEU 28 3HD1 LEU 28 5.205 13.891 6.915 195 1HD2 LEU 28 1HD2 LEU 28 7.191 16.270 5.958 196 2HD2 LEU 28 2HD2 LEU 28 5.736 16.227 7.020 197 3HD2 LEU 28 3HD2 LEU 28 5.740 17.277 5.556 198 H ASP 29 H ASP 29 4.893 15.659 0.761 199 HA ASP 29 HA ASP 29 5.227 15.683 -1.325 200 1HB ASP 29 2HB ASP 29 6.507 17.816 -0.784 201 2HB ASP 29 1HB ASP 29 8.011 16.872 -1.029 202 H LYS 30 H LYS 30 5.859 13.344 0.304 203 HA LYS 30 HA LYS 30 6.932 11.923 -1.945 204 1HB LYS 30 2HB LYS 30 8.624 10.821 -0.879 205 2HB LYS 30 1HB LYS 30 8.697 12.430 -0.113 206 1HG LYS 30 2HG LYS 30 7.588 9.834 1.072 207 2HG LYS 30 1HG LYS 30 9.053 10.761 1.556 208 1HD LYS 30 2HD LYS 30 7.339 12.690 2.059 209 2HD LYS 30 1HD LYS 30 6.106 11.393 1.974 210 1HE LYS 30 2HE LYS 30 8.547 11.499 3.906 211 2HE LYS 30 1HE LYS 30 6.836 11.873 4.348 212 1HZ LYS 30 1HZ LYS 30 6.271 9.556 3.785 213 2HZ LYS 30 2HZ LYS 30 7.434 9.672 5.006 214 3HZ LYS 30 3HZ LYS 30 7.881 9.224 3.453 215 H TYR 31 H TYR 31 6.677 9.413 -1.290 216 HA TYR 31 HA TYR 31 4.158 9.056 0.048 217 1HB TYR 31 2HB TYR 31 2.817 8.231 -1.631 218 2HB TYR 31 1HB TYR 31 3.577 9.705 -2.303 219 HD1 TYR 31 1HD TYR 31 3.028 6.225 -2.648 220 HD2 TYR 31 2HD TYR 31 5.520 9.412 -3.887 221 HE1 TYR 31 1HE TYR 31 3.596 4.965 -4.682 222 HE2 TYR 31 2HE TYR 31 6.137 8.155 -5.915 223 HH TYR 31 HH TYR 31 5.337 6.459 -7.312 224 H ALA 32 H ALA 32 3.427 6.802 0.206 225 HA ALA 32 HA ALA 32 5.536 4.857 -0.257 226 1HB ALA 32 1HB ALA 32 5.744 5.496 2.162 227 2HB ALA 32 2HB ALA 32 5.158 3.808 1.976 228 3HB ALA 32 3HB ALA 32 3.998 5.125 2.397 229 H CYS 33 H CYS 33 4.799 2.754 -0.557 230 HA CYS 33 HA CYS 33 1.881 2.368 -0.659 231 1HB CYS 33 2HB CYS 33 4.054 1.428 -2.585 232 2HB CYS 33 1HB CYS 33 2.573 0.454 -2.352 233 H ASN 34 H ASN 34 1.308 1.073 0.940 234 HA ASN 34 HA ASN 34 3.197 -0.923 1.947 235 1HB ASN 34 2HB ASN 34 0.523 0.138 3.023 236 2HB ASN 34 1HB ASN 34 1.515 -1.150 3.813 237 1HD2 ASN 34 1HD2 ASN 34 0.780 1.436 4.995 238 2HD2 ASN 34 2HD2 ASN 34 2.267 2.297 5.251 239 H CYS 35 H CYS 35 2.039 -3.071 2.551 240 HA CYS 35 HA CYS 35 0.091 -3.774 0.511 241 1HB CYS 35 2HB CYS 35 1.427 -5.578 -0.412 242 2HB CYS 35 1HB CYS 35 2.281 -4.027 -0.589 243 H VAL 36 H VAL 36 -0.377 -6.217 0.657 244 HA VAL 36 HA VAL 36 -1.527 -6.475 3.178 245 HB VAL 36 HB VAL 36 -1.389 -8.649 1.100 246 1HG1 VAL 36 1HG1 VAL 36 -2.611 -9.283 3.177 247 2HG1 VAL 36 2HG1 VAL 36 -3.778 -8.990 1.858 248 3HG1 VAL 36 3HG1 VAL 36 -3.550 -7.736 3.122 249 1HG2 VAL 36 1HG2 VAL 36 -3.431 -7.528 0.090 250 2HG2 VAL 36 2HG2 VAL 36 -1.911 -6.644 -0.215 251 3HG2 VAL 36 3HG2 VAL 36 -3.061 -6.060 1.062 252 H VAL 37 H VAL 37 -1.398 -8.168 4.665 253 HA VAL 37 HA VAL 37 1.172 -8.968 5.380 254 HB VAL 37 HB VAL 37 -0.462 -8.483 7.002 255 1HG1 VAL 37 1HG1 VAL 37 -2.535 -9.217 5.800 256 2HG1 VAL 37 2HG1 VAL 37 -2.409 -9.927 7.444 257 3HG1 VAL 37 3HG1 VAL 37 -2.033 -10.936 6.002 258 1HG2 VAL 37 1HG2 VAL 37 1.373 -10.155 7.537 259 2HG2 VAL 37 2HG2 VAL 37 0.228 -11.491 7.145 260 3HG2 VAL 37 3HG2 VAL 37 -0.125 -10.382 8.508 261 H GLY 38 H GLY 38 2.396 -10.658 4.953 262 1HA GLY 38 2HA GLY 38 3.038 -12.632 4.179 263 2HA GLY 38 1HA GLY 38 1.325 -13.167 4.155 264 H TYR 39 H TYR 39 2.493 -10.348 2.389 265 HA TYR 39 HA TYR 39 2.717 -11.967 -0.044 266 1HB TYR 39 2HB TYR 39 1.321 -9.249 0.254 267 2HB TYR 39 1HB TYR 39 1.888 -9.910 -1.326 268 HD1 TYR 39 1HD TYR 39 0.747 -11.647 -2.404 269 HD2 TYR 39 2HD TYR 39 -0.384 -10.545 1.530 270 HE1 TYR 39 1HE TYR 39 -1.327 -12.928 -2.649 271 HE2 TYR 39 2HE TYR 39 -2.462 -11.816 1.303 272 HH TYR 39 HH TYR 39 -3.152 -13.789 -1.519 273 H ILE 40 H ILE 40 4.552 -11.663 -1.118 274 HA ILE 40 HA ILE 40 6.507 -9.977 0.276 275 HB ILE 40 HB ILE 40 8.040 -11.912 0.262 276 1HG1 ILE 40 2HG1 ILE 40 5.508 -13.523 -0.431 277 2HG1 ILE 40 1HG1 ILE 40 6.865 -13.194 -1.559 278 1HG2 ILE 40 1HG2 ILE 40 7.091 -12.895 2.278 279 2HG2 ILE 40 2HG2 ILE 40 5.434 -12.346 1.838 280 3HG2 ILE 40 3HG2 ILE 40 6.709 -11.142 2.256 281 1HD1 ILE 40 1HD1 ILE 40 8.440 -14.400 -0.012 282 2HD1 ILE 40 2HD1 ILE 40 7.096 -15.447 -0.594 283 3HD1 ILE 40 3HD1 ILE 40 7.061 -14.784 1.082 284 H GLY 41 H GLY 41 8.725 -10.166 -0.817 285 1HA GLY 41 2HA GLY 41 9.919 -9.925 -2.715 286 2HA GLY 41 1HA GLY 41 8.425 -9.964 -3.715 287 H GLU 42 H GLU 42 10.217 -8.113 -4.326 288 HA GLU 42 HA GLU 42 10.497 -5.858 -2.905 289 1HB GLU 42 2HB GLU 42 10.690 -6.612 -5.796 290 2HB GLU 42 1HB GLU 42 10.637 -4.859 -5.478 291 1HG GLU 42 2HG GLU 42 12.968 -5.685 -5.602 292 2HG GLU 42 1HG GLU 42 12.573 -4.920 -4.029 293 H ARG 43 H ARG 43 7.925 -6.337 -5.288 294 HA ARG 43 HA ARG 43 6.554 -3.988 -4.151 295 1HB ARG 43 2HB ARG 43 5.408 -3.813 -6.355 296 2HB ARG 43 1HB ARG 43 7.159 -3.506 -6.371 297 1HG ARG 43 2HG ARG 43 7.579 -5.839 -7.248 298 2HG ARG 43 1HG ARG 43 5.801 -6.071 -7.341 299 1HD ARG 43 2HD ARG 43 5.690 -4.085 -8.926 300 2HD ARG 43 1HD ARG 43 7.489 -3.923 -8.821 301 HE ARG 43 HE ARG 43 7.014 -6.631 -9.494 302 1HH1 ARG 43 1HH1 ARG 43 6.245 -3.470 -10.995 303 2HH1 ARG 43 2HH1 ARG 43 6.612 -4.047 -12.568 304 1HH2 ARG 43 1HH2 ARG 43 7.342 -7.332 -11.691 305 2HH2 ARG 43 2HH2 ARG 43 6.904 -6.301 -12.998 306 H CYS 44 H CYS 44 6.613 -6.621 -3.020 307 HA CYS 44 HA CYS 44 5.391 -8.124 -2.138 308 1HB CYS 44 2HB CYS 44 3.108 -6.134 -2.245 309 2HB CYS 44 1HB CYS 44 3.343 -7.468 -1.071 310 H GLN 45 H GLN 45 5.385 -8.783 -4.844 311 HA GLN 45 HA GLN 45 2.632 -9.178 -5.591 312 1HB GLN 45 2HB GLN 45 3.667 -10.236 -7.653 313 2HB GLN 45 1HB GLN 45 3.809 -8.475 -7.369 314 1HG GLN 45 2HG GLN 45 6.185 -8.831 -6.501 315 2HG GLN 45 1HG GLN 45 6.042 -10.560 -6.972 316 1HE2 GLN 45 1HE2 GLN 45 4.649 -10.319 -9.463 317 2HE2 GLN 45 2HE2 GLN 45 5.664 -9.440 -10.564 318 H TYR 46 H TYR 46 5.174 -11.328 -4.290 319 HA TYR 46 HA TYR 46 3.661 -13.607 -5.216 320 1HB TYR 46 2HB TYR 46 6.076 -13.722 -3.375 321 2HB TYR 46 1HB TYR 46 5.488 -14.970 -4.518 322 HD1 TYR 46 1HD TYR 46 5.239 -13.529 -7.067 323 HD2 TYR 46 2HD TYR 46 8.112 -13.121 -3.959 324 HE1 TYR 46 1HE TYR 46 6.914 -12.841 -8.703 325 HE2 TYR 46 2HE TYR 46 9.769 -12.367 -5.579 326 HH TYR 46 HH TYR 46 10.200 -11.903 -7.697 327 H ARG 47 H ARG 47 3.149 -15.426 -3.620 328 HA ARG 47 HA ARG 47 1.971 -14.138 -1.257 329 1HB ARG 47 2HB ARG 47 0.318 -15.927 -1.272 330 2HB ARG 47 1HB ARG 47 0.281 -14.913 -2.736 331 1HG ARG 47 2HG ARG 47 1.414 -16.639 -4.061 332 2HG ARG 47 1HG ARG 47 1.659 -17.660 -2.609 333 1HD ARG 47 2HD ARG 47 -0.807 -17.940 -2.347 334 2HD ARG 47 1HD ARG 47 -1.100 -16.895 -3.783 335 HE ARG 47 HE ARG 47 0.427 -19.533 -3.798 336 1HH1 ARG 47 1HH1 ARG 47 -1.188 -16.946 -5.731 337 2HH1 ARG 47 2HH1 ARG 47 -1.128 -17.870 -7.166 338 1HH2 ARG 47 1HH2 ARG 47 0.294 -20.772 -5.730 339 2HH2 ARG 47 2HH2 ARG 47 -0.277 -20.058 -7.181 340 H ASP 48 H ASP 48 2.351 -14.801 0.759 341 HA ASP 48 HA ASP 48 4.058 -17.139 1.152 342 1HB ASP 48 2HB ASP 48 4.742 -14.781 1.933 343 2HB ASP 48 1HB ASP 48 3.348 -14.837 3.061 344 H LEU 49 H LEU 49 2.752 -18.907 1.353 345 HA LEU 49 HA LEU 49 0.084 -18.536 2.292 346 1HB LEU 49 2HB LEU 49 0.956 -19.840 0.259 347 2HB LEU 49 1HB LEU 49 1.446 -21.111 1.401 348 HG LEU 49 HG LEU 49 -0.984 -21.342 2.093 349 1HD1 LEU 49 1HD1 LEU 49 -1.866 -19.066 1.583 350 2HD1 LEU 49 2HD1 LEU 49 -2.747 -20.308 0.621 351 3HD1 LEU 49 3HD1 LEU 49 -1.486 -19.289 -0.164 352 1HD2 LEU 49 1HD2 LEU 49 -0.001 -22.793 0.322 353 2HD2 LEU 49 2HD2 LEU 49 -0.418 -21.566 -0.933 354 3HD2 LEU 49 3HD2 LEU 49 -1.726 -22.413 -0.036 355 H LYS 50 H LYS 50 2.741 -18.797 4.103 356 HA LYS 50 HA LYS 50 2.203 -21.111 5.598 357 1HB LYS 50 2HB LYS 50 4.003 -18.719 6.224 358 2HB LYS 50 1HB LYS 50 4.056 -20.304 7.060 359 1HG LYS 50 2HG LYS 50 4.669 -19.791 4.094 360 2HG LYS 50 1HG LYS 50 5.869 -20.031 5.385 361 1HD LYS 50 2HD LYS 50 3.777 -22.116 4.514 362 2HD LYS 50 1HD LYS 50 5.466 -22.029 3.933 363 1HE LYS 50 2HE LYS 50 6.303 -22.377 6.296 364 2HE LYS 50 1HE LYS 50 4.587 -22.571 6.851 365 1HZ LYS 50 1HZ LYS 50 5.980 -24.199 4.789 366 2HZ LYS 50 2HZ LYS 50 4.364 -24.402 5.288 367 3HZ LYS 50 3HZ LYS 50 5.630 -24.702 6.363 368 H TRP 51 H TRP 51 1.321 -17.741 6.220 369 HA TRP 51 HA TRP 51 0.831 -18.307 8.959 370 1HB TRP 51 2HB TRP 51 0.200 -16.055 9.232 371 2HB TRP 51 1HB TRP 51 1.615 -16.114 8.140 372 HD1 TRP 51 HD TRP 51 1.251 -15.015 5.691 373 HE1 TRP 51 1HE TRP 51 -0.621 -13.429 4.818 374 HE3 TRP 51 3HE TRP 51 -2.259 -15.802 9.282 375 HZ2 TRP 51 2HZ TRP 51 -3.244 -12.806 5.453 376 HZ3 TRP 51 3HZ TRP 51 -4.424 -14.700 9.078 377 HH2 TRP 51 HH TRP 51 -4.923 -13.228 7.199 378 H TRP 52 H TRP 52 -1.173 -18.218 6.139 379 HA TRP 52 HA TRP 52 -3.683 -18.263 7.327 380 1HB TRP 52 2HB TRP 52 -2.765 -19.623 4.731 381 2HB TRP 52 1HB TRP 52 -4.457 -19.248 5.178 382 HD1 TRP 52 HD TRP 52 -1.368 -17.624 3.619 383 HE1 TRP 52 1HE TRP 52 -2.053 -15.319 2.733 384 HE3 TRP 52 3HE TRP 52 -5.887 -17.236 5.896 385 HZ2 TRP 52 2HZ TRP 52 -4.307 -13.620 2.889 386 HZ3 TRP 52 3HZ TRP 52 -7.236 -15.229 5.521 387 HH2 TRP 52 HH TRP 52 -6.468 -13.454 4.045 388 H GLU 53 H GLU 53 -1.502 -20.920 6.468 389 HA GLU 53 HA GLU 53 -3.386 -22.883 7.465 390 1HB GLU 53 2HB GLU 53 -2.137 -23.017 5.270 391 2HB GLU 53 1HB GLU 53 -0.644 -23.324 6.198 392 1HG GLU 53 2HG GLU 53 -1.639 -25.428 7.128 393 2HG GLU 53 1HG GLU 53 -3.233 -25.022 6.397 394 H LEU 54 H LEU 54 -2.974 -21.571 9.586 395 HA LEU 54 HA LEU 54 -1.533 -23.338 11.273 396 1HB LEU 54 2HB LEU 54 0.335 -21.857 10.566 397 2HB LEU 54 1HB LEU 54 -0.646 -20.423 10.945 398 HG LEU 54 HG LEU 54 -0.611 -21.036 13.374 399 1HD1 LEU 54 1HD1 LEU 54 1.250 -23.343 12.491 400 2HD1 LEU 54 2HD1 LEU 54 -0.395 -23.521 13.212 401 3HD1 LEU 54 3HD1 LEU 54 0.939 -22.817 14.193 402 1HD2 LEU 54 1HD2 LEU 54 1.131 -19.523 12.429 403 2HD2 LEU 54 2HD2 LEU 54 2.174 -20.943 12.042 404 3HD2 LEU 54 3HD2 LEU 54 1.808 -20.537 13.761 Start of MODEL 26 1 1H VAL 1 1HT VAL 1 6.615 19.577 6.689 2 2H VAL 1 2HT VAL 1 6.890 21.106 7.302 3 3H VAL 1 3HT VAL 1 5.542 20.838 6.340 4 HA VAL 1 HA VAL 1 6.126 19.573 8.941 5 HB VAL 1 HB VAL 1 4.308 20.905 9.942 6 1HG1 VAL 1 1HG1 VAL 1 5.627 22.873 10.304 7 2HG1 VAL 1 2HG1 VAL 1 6.535 22.667 8.782 8 3HG1 VAL 1 3HG1 VAL 1 6.772 21.498 10.149 9 1HG2 VAL 1 1HG2 VAL 1 3.518 22.936 8.809 10 2HG2 VAL 1 2HG2 VAL 1 3.070 21.514 7.812 11 3HG2 VAL 1 3HG2 VAL 1 4.461 22.564 7.334 12 H VAL 2 H VAL 2 4.567 18.287 9.984 13 HA VAL 2 HA VAL 2 2.716 16.986 8.216 14 HB VAL 2 HB VAL 2 3.509 16.492 11.098 15 1HG1 VAL 2 1HG1 VAL 2 1.768 14.859 9.127 16 2HG1 VAL 2 2HG1 VAL 2 1.228 15.577 10.699 17 3HG1 VAL 2 3HG1 VAL 2 2.423 14.243 10.685 18 1HG2 VAL 2 1HG2 VAL 2 5.381 16.105 9.446 19 2HG2 VAL 2 2HG2 VAL 2 4.280 15.048 8.480 20 3HG2 VAL 2 3HG2 VAL 2 4.765 14.575 10.146 21 H SER 3 H SER 3 0.600 17.630 8.099 22 HA SER 3 HA SER 3 -0.626 18.171 10.731 23 1HB SER 3 2HB SER 3 -1.584 19.455 8.108 24 2HB SER 3 1HB SER 3 -2.334 19.632 9.731 25 HG SER 3 HG SER 3 -0.347 20.616 10.381 26 H HIS 4 H HIS 4 -1.404 17.288 7.304 27 HA HIS 4 HA HIS 4 -3.174 15.219 8.425 28 1HB HIS 4 2HB HIS 4 -4.377 17.252 7.497 29 2HB HIS 4 1HB HIS 4 -3.596 16.942 5.922 30 HD1 HIS 4 1HD HIS 4 -5.449 16.044 4.494 31 HD2 HIS 4 2HD HIS 4 -5.620 14.391 8.349 32 HE1 HIS 4 1HE HIS 4 -7.211 14.247 4.445 33 HE2 HIS 4 2HE HIS 4 -7.296 13.286 6.775 34 H PHE 5 H PHE 5 -3.281 13.205 7.289 35 HA PHE 5 HA PHE 5 -1.272 12.930 5.171 36 1HB PHE 5 2HB PHE 5 -2.439 10.954 7.192 37 2HB PHE 5 1HB PHE 5 -1.662 10.390 5.669 38 HD1 PHE 5 1HD PHE 5 -1.066 11.856 8.950 39 HD2 PHE 5 2HD PHE 5 0.633 10.926 5.175 40 HE1 PHE 5 1HE PHE 5 1.183 12.152 9.889 41 HE2 PHE 5 2HE PHE 5 2.872 11.230 6.089 42 HZ PHE 5 HZ PHE 5 3.158 11.863 8.457 43 H ASN 6 H ASN 6 -1.778 11.842 3.289 44 HA ASN 6 HA ASN 6 -4.590 12.236 2.554 45 1HB ASN 6 2HB ASN 6 -1.983 12.170 0.918 46 2HB ASN 6 1HB ASN 6 -3.622 12.318 0.191 47 1HD2 ASN 6 1HD2 ASN 6 -4.661 14.333 0.206 48 2HD2 ASN 6 2HD2 ASN 6 -4.043 15.733 1.000 49 H ASP 7 H ASP 7 -5.324 10.772 0.749 50 HA ASP 7 HA ASP 7 -4.350 8.027 1.089 51 1HB ASP 7 2HB ASP 7 -7.269 9.006 0.870 52 2HB ASP 7 1HB ASP 7 -6.745 7.294 1.067 53 H CYS 8 H CYS 8 -5.340 6.662 -0.810 54 HA CYS 8 HA CYS 8 -5.707 8.359 -3.188 55 1HB CYS 8 2HB CYS 8 -4.982 6.461 -4.545 56 2HB CYS 8 1HB CYS 8 -3.727 7.156 -3.485 57 HA PRO 9 HA PRO 9 -9.564 6.127 -2.425 58 1HB PRO 9 2HB PRO 9 -11.408 8.166 -2.766 59 2HB PRO 9 1HB PRO 9 -10.514 7.866 -1.232 60 1HG PRO 9 2HG PRO 9 -9.810 9.923 -3.401 61 2HG PRO 9 1HG PRO 9 -9.907 10.154 -1.610 62 1HD PRO 9 2HD PRO 9 -7.494 9.629 -2.903 63 2HD PRO 9 1HD PRO 9 -7.867 8.984 -1.243 64 H LEU 10 H LEU 10 -9.514 8.716 -4.860 65 HA LEU 10 HA LEU 10 -10.974 7.180 -6.729 66 1HB LEU 10 2HB LEU 10 -10.745 9.156 -8.211 67 2HB LEU 10 1HB LEU 10 -11.422 9.457 -6.596 68 HG LEU 10 HG LEU 10 -8.796 10.057 -6.058 69 1HD1 LEU 10 1HD1 LEU 10 -8.084 9.767 -8.481 70 2HD1 LEU 10 2HD1 LEU 10 -7.901 11.457 -7.881 71 3HD1 LEU 10 3HD1 LEU 10 -9.288 11.040 -8.940 72 1HD2 LEU 10 1HD2 LEU 10 -10.962 11.922 -7.209 73 2HD2 LEU 10 2HD2 LEU 10 -9.516 12.438 -6.274 74 3HD2 LEU 10 3HD2 LEU 10 -10.782 11.428 -5.486 75 H SER 11 H SER 11 -7.515 7.969 -6.533 76 HA SER 11 HA SER 11 -7.070 6.761 -9.104 77 1HB SER 11 2HB SER 11 -5.760 8.746 -8.279 78 2HB SER 11 1HB SER 11 -5.021 7.687 -7.040 79 HG SER 11 HG SER 11 -3.648 7.397 -8.577 80 H HIS 12 H HIS 12 -6.164 4.838 -9.575 81 HA HIS 12 HA HIS 12 -5.358 3.076 -7.357 82 1HB HIS 12 2HB HIS 12 -7.146 2.134 -8.722 83 2HB HIS 12 1HB HIS 12 -6.278 2.518 -10.226 84 HD1 HIS 12 1HD HIS 12 -4.397 0.895 -10.950 85 HD2 HIS 12 2HD HIS 12 -6.249 -0.221 -7.348 86 HE1 HIS 12 1HE HIS 12 -3.715 -1.461 -10.493 87 HE2 HIS 12 2HE HIS 12 -4.843 -2.142 -8.361 88 H ASP 13 H ASP 13 -3.202 2.560 -7.205 89 HA ASP 13 HA ASP 13 -1.455 3.743 -9.191 90 1HB ASP 13 2HB ASP 13 -1.128 4.122 -6.693 91 2HB ASP 13 1HB ASP 13 -0.610 2.408 -6.578 92 H GLY 14 H GLY 14 0.221 2.630 -10.112 93 1HA GLY 14 2HA GLY 14 -0.707 0.040 -11.087 94 2HA GLY 14 1HA GLY 14 0.386 1.208 -11.888 95 H TYR 15 H TYR 15 1.914 1.239 -9.160 96 HA TYR 15 HA TYR 15 3.744 -0.799 -9.957 97 1HB TYR 15 2HB TYR 15 4.505 1.422 -9.124 98 2HB TYR 15 1HB TYR 15 3.779 1.079 -7.524 99 HD1 TYR 15 1HD TYR 15 4.986 -0.159 -5.955 100 HD2 TYR 15 2HD TYR 15 6.267 -0.166 -10.004 101 HE1 TYR 15 1HE TYR 15 6.974 -1.422 -5.314 102 HE2 TYR 15 2HE TYR 15 8.273 -1.423 -9.364 103 HH TYR 15 HH TYR 15 9.070 -2.049 -5.997 104 H CYS 16 H CYS 16 1.684 -0.287 -7.061 105 HA CYS 16 HA CYS 16 2.547 -2.830 -5.992 106 1HB CYS 16 2HB CYS 16 0.429 -0.845 -4.991 107 2HB CYS 16 1HB CYS 16 1.043 -2.266 -4.092 108 H LEU 17 H LEU 17 1.366 -4.732 -5.989 109 HA LEU 17 HA LEU 17 -1.016 -4.713 -7.641 110 1HB LEU 17 2HB LEU 17 0.614 -6.978 -6.395 111 2HB LEU 17 1HB LEU 17 -0.859 -7.218 -7.377 112 HG LEU 17 HG LEU 17 0.882 -7.705 -8.782 113 1HD1 LEU 17 1HD1 LEU 17 -0.879 -6.252 -9.838 114 2HD1 LEU 17 2HD1 LEU 17 0.725 -6.120 -10.645 115 3HD1 LEU 17 3HD1 LEU 17 0.171 -4.807 -9.554 116 1HD2 LEU 17 1HD2 LEU 17 2.762 -6.657 -7.494 117 2HD2 LEU 17 2HD2 LEU 17 2.340 -5.057 -8.206 118 3HD2 LEU 17 3HD2 LEU 17 2.863 -6.400 -9.283 119 H HIS 18 H HIS 18 -2.801 -6.189 -6.972 120 HA HIS 18 HA HIS 18 -4.401 -6.797 -5.699 121 1HB HIS 18 2HB HIS 18 -2.265 -7.837 -4.617 122 2HB HIS 18 1HB HIS 18 -2.625 -6.798 -3.222 123 HD1 HIS 18 1HD HIS 18 -2.642 -9.918 -3.532 124 HD2 HIS 18 2HD HIS 18 -6.073 -7.533 -3.353 125 HE1 HIS 18 1HE HIS 18 -4.554 -11.420 -2.753 126 HE2 HIS 18 2HE HIS 18 -6.575 -9.932 -2.583 127 H ASP 19 H ASP 19 -4.102 -3.989 -6.009 128 HA ASP 19 HA ASP 19 -4.716 -2.081 -5.393 129 1HB ASP 19 2HB ASP 19 -6.842 -3.670 -5.498 130 2HB ASP 19 1HB ASP 19 -7.057 -3.158 -3.792 131 H GLY 20 H GLY 20 -2.868 -1.572 -4.290 132 1HA GLY 20 2HA GLY 20 -2.736 -1.983 -1.454 133 2HA GLY 20 1HA GLY 20 -1.521 -1.232 -2.552 134 H VAL 21 H VAL 21 -1.900 -0.203 0.017 135 HA VAL 21 HA VAL 21 -3.692 2.033 -0.296 136 HB VAL 21 HB VAL 21 -2.063 1.117 2.073 137 1HG1 VAL 21 1HG1 VAL 21 -4.322 3.225 1.760 138 2HG1 VAL 21 2HG1 VAL 21 -2.598 3.588 2.148 139 3HG1 VAL 21 3HG1 VAL 21 -3.604 2.673 3.314 140 1HG2 VAL 21 1HG2 VAL 21 -3.790 -0.565 1.463 141 2HG2 VAL 21 2HG2 VAL 21 -5.027 0.736 1.278 142 3HG2 VAL 21 3HG2 VAL 21 -4.338 0.366 2.896 143 H CYS 22 H CYS 22 -2.757 3.405 -1.732 144 HA CYS 22 HA CYS 22 -0.029 4.221 -1.446 145 1HB CYS 22 2HB CYS 22 -0.887 5.691 -3.513 146 2HB CYS 22 1HB CYS 22 -0.448 3.975 -3.629 147 H MET 23 H MET 23 0.759 6.171 -0.794 148 HA MET 23 HA MET 23 -1.030 8.375 -1.049 149 1HB MET 23 2HB MET 23 -0.795 9.366 1.125 150 2HB MET 23 1HB MET 23 -1.574 7.774 1.251 151 1HG MET 23 2HG MET 23 0.544 6.757 2.058 152 2HG MET 23 1HG MET 23 1.385 8.324 1.885 153 1HE MET 23 1HE MET 23 1.585 6.728 4.472 154 2HE MET 23 2HE MET 23 1.470 8.100 5.625 155 3HE MET 23 3HE MET 23 2.335 8.311 4.070 156 H TYR 24 H TYR 24 0.004 9.911 -2.115 157 HA TYR 24 HA TYR 24 2.786 10.446 -1.451 158 1HB TYR 24 2HB TYR 24 1.660 10.344 -3.886 159 2HB TYR 24 1HB TYR 24 1.139 12.023 -3.502 160 HD1 TYR 24 1HD TYR 24 3.543 10.042 -4.943 161 HD2 TYR 24 2HD TYR 24 3.146 13.539 -2.547 162 HE1 TYR 24 1HE TYR 24 5.711 10.772 -5.685 163 HE2 TYR 24 2HE TYR 24 5.343 14.283 -3.258 164 HH TYR 24 HH TYR 24 7.206 12.453 -5.694 165 H ILE 25 H ILE 25 3.278 11.975 0.087 166 HA ILE 25 HA ILE 25 1.240 13.982 0.633 167 HB ILE 25 HB ILE 25 2.581 14.294 2.756 168 1HG1 ILE 25 2HG1 ILE 25 4.343 12.526 2.155 169 2HG1 ILE 25 1HG1 ILE 25 3.618 12.548 3.780 170 1HG2 ILE 25 1HG2 ILE 25 0.965 12.787 3.881 171 2HG2 ILE 25 2HG2 ILE 25 0.559 12.030 2.287 172 3HG2 ILE 25 3HG2 ILE 25 0.206 13.776 2.586 173 1HD1 ILE 25 1HD1 ILE 25 2.173 10.610 3.280 174 2HD1 ILE 25 2HD1 ILE 25 3.901 10.227 2.974 175 3HD1 ILE 25 3HD1 ILE 25 2.795 10.542 1.594 176 H GLU 26 H GLU 26 1.647 15.688 -0.485 177 HA GLU 26 HA GLU 26 4.036 16.228 -1.717 178 1HB GLU 26 2HB GLU 26 1.846 16.829 -2.532 179 2HB GLU 26 1HB GLU 26 1.565 17.946 -1.184 180 1HG GLU 26 2HG GLU 26 3.899 18.324 -3.182 181 2HG GLU 26 1HG GLU 26 2.231 18.868 -3.546 182 H ALA 27 H ALA 27 2.732 17.764 1.249 183 HA ALA 27 HA ALA 27 4.666 19.757 1.339 184 1HB ALA 27 1HB ALA 27 2.966 18.499 3.579 185 2HB ALA 27 2HB ALA 27 2.478 19.874 2.523 186 3HB ALA 27 3HB ALA 27 3.826 20.081 3.690 187 H LEU 28 H LEU 28 4.764 16.439 2.481 188 HA LEU 28 HA LEU 28 7.183 16.946 4.003 189 1HB LEU 28 2HB LEU 28 5.961 14.227 3.323 190 2HB LEU 28 1HB LEU 28 7.135 14.634 4.605 191 HG LEU 28 HG LEU 28 4.150 15.245 4.471 192 1HD1 LEU 28 1HD1 LEU 28 5.905 13.834 6.582 193 2HD1 LEU 28 2HD1 LEU 28 4.997 12.975 5.295 194 3HD1 LEU 28 3HD1 LEU 28 4.104 13.907 6.556 195 1HD2 LEU 28 1HD2 LEU 28 4.333 16.403 6.662 196 2HD2 LEU 28 2HD2 LEU 28 5.168 17.339 5.378 197 3HD2 LEU 28 3HD2 LEU 28 6.131 16.358 6.556 198 H ASP 29 H ASP 29 6.187 16.028 0.859 199 HA ASP 29 HA ASP 29 7.126 15.638 -1.002 200 1HB ASP 29 2HB ASP 29 8.839 17.302 -0.173 201 2HB ASP 29 1HB ASP 29 9.882 15.912 0.280 202 H LYS 30 H LYS 30 6.482 13.547 0.972 203 HA LYS 30 HA LYS 30 8.275 11.401 0.061 204 1HB LYS 30 2HB LYS 30 6.727 11.533 2.694 205 2HB LYS 30 1HB LYS 30 7.879 10.264 2.186 206 1HG LYS 30 2HG LYS 30 8.489 13.170 2.933 207 2HG LYS 30 1HG LYS 30 8.923 11.688 3.827 208 1HD LYS 30 2HD LYS 30 10.401 10.996 1.892 209 2HD LYS 30 1HD LYS 30 9.968 12.506 1.049 210 1HE LYS 30 2HE LYS 30 10.889 13.847 3.036 211 2HE LYS 30 1HE LYS 30 11.543 12.297 3.696 212 1HZ LYS 30 1HZ LYS 30 12.186 13.561 1.073 213 2HZ LYS 30 2HZ LYS 30 12.702 12.044 1.501 214 3HZ LYS 30 3HZ LYS 30 13.213 13.407 2.396 215 H TYR 31 H TYR 31 7.423 9.303 -0.165 216 HA TYR 31 HA TYR 31 4.563 9.106 0.063 217 1HB TYR 31 2HB TYR 31 3.917 8.427 -2.046 218 2HB TYR 31 1HB TYR 31 4.836 9.949 -2.215 219 HD1 TYR 31 1HD TYR 31 7.455 9.542 -2.655 220 HD2 TYR 31 2HD TYR 31 4.259 6.944 -3.634 221 HE1 TYR 31 1HE TYR 31 8.747 8.685 -4.570 222 HE2 TYR 31 2HE TYR 31 5.469 6.131 -5.571 223 HH TYR 31 HH TYR 31 7.427 6.219 -6.750 224 H ALA 32 H ALA 32 3.596 6.982 -0.098 225 HA ALA 32 HA ALA 32 5.448 4.787 0.157 226 1HB ALA 32 1HB ALA 32 5.371 5.719 2.488 227 2HB ALA 32 2HB ALA 32 4.594 4.100 2.409 228 3HB ALA 32 3HB ALA 32 3.581 5.594 2.468 229 H CYS 33 H CYS 33 4.484 2.732 0.183 230 HA CYS 33 HA CYS 33 1.649 2.617 -0.543 231 1HB CYS 33 2HB CYS 33 3.137 2.265 -2.534 232 2HB CYS 33 1HB CYS 33 3.949 0.936 -1.674 233 H ASN 34 H ASN 34 0.655 1.700 1.185 234 HA ASN 34 HA ASN 34 2.213 -0.147 2.827 235 1HB ASN 34 2HB ASN 34 1.156 1.948 3.824 236 2HB ASN 34 1HB ASN 34 -0.449 1.232 3.475 237 1HD2 ASN 34 1HD2 ASN 34 2.734 0.319 5.049 238 2HD2 ASN 34 2HD2 ASN 34 1.992 -0.569 6.346 239 H CYS 35 H CYS 35 1.471 -2.219 3.345 240 HA CYS 35 HA CYS 35 -0.472 -3.229 1.386 241 1HB CYS 35 2HB CYS 35 2.082 -3.512 1.026 242 2HB CYS 35 1HB CYS 35 2.026 -4.692 2.361 243 H VAL 36 H VAL 36 -1.541 -5.165 1.877 244 HA VAL 36 HA VAL 36 -2.403 -5.387 4.558 245 HB VAL 36 HB VAL 36 -2.994 -6.781 1.964 246 1HG1 VAL 36 1HG1 VAL 36 -4.507 -7.214 4.622 247 2HG1 VAL 36 2HG1 VAL 36 -3.654 -8.472 3.620 248 3HG1 VAL 36 3HG1 VAL 36 -5.100 -7.637 2.983 249 1HG2 VAL 36 1HG2 VAL 36 -4.574 -4.811 3.758 250 2HG2 VAL 36 2HG2 VAL 36 -5.098 -5.440 2.161 251 3HG2 VAL 36 3HG2 VAL 36 -3.685 -4.337 2.266 252 H VAL 37 H VAL 37 -2.739 -7.635 5.460 253 HA VAL 37 HA VAL 37 -0.205 -8.554 6.269 254 HB VAL 37 HB VAL 37 -2.962 -9.682 6.835 255 1HG1 VAL 37 1HG1 VAL 37 -1.128 -11.277 7.471 256 2HG1 VAL 37 2HG1 VAL 37 -1.839 -10.517 8.925 257 3HG1 VAL 37 3HG1 VAL 37 -0.253 -9.937 8.319 258 1HG2 VAL 37 1HG2 VAL 37 -2.902 -7.277 7.477 259 2HG2 VAL 37 2HG2 VAL 37 -1.291 -7.512 8.261 260 3HG2 VAL 37 3HG2 VAL 37 -2.758 -8.295 8.941 261 H GLY 38 H GLY 38 0.975 -10.195 5.575 262 1HA GLY 38 2HA GLY 38 1.405 -12.286 4.909 263 2HA GLY 38 1HA GLY 38 -0.299 -12.484 4.386 264 H TYR 39 H TYR 39 1.399 -9.739 3.160 265 HA TYR 39 HA TYR 39 1.897 -11.137 0.621 266 1HB TYR 39 2HB TYR 39 0.981 -8.240 1.155 267 2HB TYR 39 1HB TYR 39 1.470 -8.883 -0.459 268 HD1 TYR 39 1HD TYR 39 0.289 -10.979 -1.285 269 HD2 TYR 39 2HD TYR 39 -1.237 -8.524 1.829 270 HE1 TYR 39 1HE TYR 39 -1.942 -11.907 -1.652 271 HE2 TYR 39 2HE TYR 39 -3.469 -9.441 1.467 272 HH TYR 39 HH TYR 39 -4.755 -10.602 0.030 273 H ILE 40 H ILE 40 3.899 -11.000 -0.196 274 HA ILE 40 HA ILE 40 5.789 -9.161 1.082 275 HB ILE 40 HB ILE 40 7.476 -11.018 0.924 276 1HG1 ILE 40 2HG1 ILE 40 4.954 -12.783 0.837 277 2HG1 ILE 40 1HG1 ILE 40 6.006 -12.447 -0.579 278 1HG2 ILE 40 1HG2 ILE 40 6.501 -10.148 3.047 279 2HG2 ILE 40 2HG2 ILE 40 6.848 -11.909 3.128 280 3HG2 ILE 40 3HG2 ILE 40 5.149 -11.336 2.917 281 1HD1 ILE 40 1HD1 ILE 40 7.971 -13.447 0.680 282 2HD1 ILE 40 2HD1 ILE 40 6.632 -14.621 0.410 283 3HD1 ILE 40 3HD1 ILE 40 6.856 -13.871 2.029 284 H GLY 41 H GLY 41 7.771 -8.896 -0.156 285 1HA GLY 41 2HA GLY 41 8.885 -8.945 -2.174 286 2HA GLY 41 1HA GLY 41 7.335 -9.143 -3.055 287 H GLU 42 H GLU 42 8.935 -7.305 -4.007 288 HA GLU 42 HA GLU 42 9.186 -4.830 -2.806 289 1HB GLU 42 2HB GLU 42 9.049 -5.694 -5.754 290 2HB GLU 42 1HB GLU 42 9.585 -4.078 -5.237 291 1HG GLU 42 2HG GLU 42 10.991 -6.721 -4.502 292 2HG GLU 42 1HG GLU 42 11.449 -5.609 -5.833 293 H ARG 43 H ARG 43 6.808 -6.113 -5.031 294 HA ARG 43 HA ARG 43 5.168 -3.673 -4.829 295 1HB ARG 43 2HB ARG 43 4.338 -4.440 -7.085 296 2HB ARG 43 1HB ARG 43 6.057 -3.984 -7.014 297 1HG ARG 43 2HG ARG 43 6.720 -6.437 -6.900 298 2HG ARG 43 1HG ARG 43 4.992 -6.864 -7.003 299 1HD ARG 43 2HD ARG 43 5.979 -7.118 -9.186 300 2HD ARG 43 1HD ARG 43 4.901 -5.679 -9.268 301 HE ARG 43 HE ARG 43 7.929 -5.685 -9.050 302 1HH1 ARG 43 1HH1 ARG 43 5.059 -3.689 -9.786 303 2HH1 ARG 43 2HH1 ARG 43 5.762 -3.072 -11.259 304 1HH2 ARG 43 1HH2 ARG 43 8.893 -4.615 -10.838 305 2HH2 ARG 43 2HH2 ARG 43 8.102 -3.284 -11.578 306 H CYS 44 H CYS 44 5.223 -6.126 -3.011 307 HA CYS 44 HA CYS 44 3.986 -7.653 -2.152 308 1HB CYS 44 2HB CYS 44 1.809 -5.663 -2.795 309 2HB CYS 44 1HB CYS 44 1.414 -7.240 -2.053 310 H GLN 45 H GLN 45 4.933 -8.872 -3.864 311 HA GLN 45 HA GLN 45 3.169 -9.603 -6.025 312 1HB GLN 45 2HB GLN 45 5.611 -8.850 -6.247 313 2HB GLN 45 1HB GLN 45 6.080 -10.333 -5.403 314 1HG GLN 45 2HG GLN 45 6.493 -10.713 -7.663 315 2HG GLN 45 1HG GLN 45 5.011 -11.680 -7.344 316 1HE2 GLN 45 1HE2 GLN 45 2.873 -10.205 -7.867 317 2HE2 GLN 45 2HE2 GLN 45 2.994 -9.353 -9.389 318 H TYR 46 H TYR 46 4.724 -11.178 -3.186 319 HA TYR 46 HA TYR 46 3.485 -13.691 -4.094 320 1HB TYR 46 2HB TYR 46 5.773 -13.697 -2.118 321 2HB TYR 46 1HB TYR 46 5.220 -14.969 -3.249 322 HD1 TYR 46 1HD TYR 46 5.479 -14.417 -5.779 323 HD2 TYR 46 2HD TYR 46 7.508 -12.339 -2.673 324 HE1 TYR 46 1HE TYR 46 7.145 -13.663 -7.384 325 HE2 TYR 46 2HE TYR 46 9.178 -11.567 -4.273 326 HH TYR 46 HH TYR 46 9.008 -12.477 -7.713 327 H ARG 47 H ARG 47 2.968 -15.216 -2.358 328 HA ARG 47 HA ARG 47 1.685 -13.830 -0.122 329 1HB ARG 47 2HB ARG 47 0.383 -16.039 0.009 330 2HB ARG 47 1HB ARG 47 0.032 -14.949 -1.359 331 1HG ARG 47 2HG ARG 47 1.366 -16.262 -2.914 332 2HG ARG 47 1HG ARG 47 1.952 -17.330 -1.594 333 1HD ARG 47 2HD ARG 47 -0.364 -18.185 -1.250 334 2HD ARG 47 1HD ARG 47 -0.980 -17.081 -2.552 335 HE ARG 47 HE ARG 47 1.274 -18.620 -3.551 336 1HH1 ARG 47 1HH1 ARG 47 -1.940 -19.476 -2.192 337 2HH1 ARG 47 2HH1 ARG 47 -2.040 -20.870 -3.246 338 1HH2 ARG 47 1HH2 ARG 47 0.801 -20.331 -5.125 339 2HH2 ARG 47 2HH2 ARG 47 -0.525 -21.383 -4.746 340 H ASP 48 H ASP 48 2.175 -14.350 1.948 341 HA ASP 48 HA ASP 48 4.567 -15.924 2.320 342 1HB ASP 48 2HB ASP 48 4.111 -13.565 3.247 343 2HB ASP 48 1HB ASP 48 2.943 -14.326 4.376 344 H LEU 49 H LEU 49 4.421 -18.087 2.761 345 HA LEU 49 HA LEU 49 1.741 -19.031 2.796 346 1HB LEU 49 2HB LEU 49 4.417 -20.435 2.431 347 2HB LEU 49 1HB LEU 49 2.832 -21.240 2.243 348 HG LEU 49 HG LEU 49 3.744 -18.856 0.549 349 1HD1 LEU 49 1HD1 LEU 49 3.719 -21.883 -0.067 350 2HD1 LEU 49 2HD1 LEU 49 5.171 -20.847 0.191 351 3HD1 LEU 49 3HD1 LEU 49 4.112 -20.557 -1.237 352 1HD2 LEU 49 1HD2 LEU 49 1.275 -18.997 0.618 353 2HD2 LEU 49 2HD2 LEU 49 1.332 -20.781 0.313 354 3HD2 LEU 49 3HD2 LEU 49 1.868 -19.620 -0.959 355 H LYS 50 H LYS 50 2.878 -18.141 5.476 356 HA LYS 50 HA LYS 50 3.565 -20.435 6.879 357 1HB LYS 50 2HB LYS 50 2.860 -17.604 7.639 358 2HB LYS 50 1HB LYS 50 2.978 -18.845 8.930 359 1HG LYS 50 2HG LYS 50 5.044 -17.641 8.713 360 2HG LYS 50 1HG LYS 50 5.278 -19.369 8.326 361 1HD LYS 50 2HD LYS 50 5.370 -18.883 5.916 362 2HD LYS 50 1HD LYS 50 4.904 -17.169 6.206 363 1HE LYS 50 2HE LYS 50 7.020 -16.743 7.391 364 2HE LYS 50 1HE LYS 50 7.514 -18.484 7.207 365 1HZ LYS 50 1HZ LYS 50 6.935 -16.590 4.974 366 2HZ LYS 50 2HZ LYS 50 7.428 -18.187 4.792 367 3HZ LYS 50 3HZ LYS 50 8.476 -17.052 5.494 368 H TRP 51 H TRP 51 0.397 -18.852 6.709 369 HA TRP 51 HA TRP 51 -0.807 -21.080 8.142 370 1HB TRP 51 2HB TRP 51 -2.912 -19.694 7.847 371 2HB TRP 51 1HB TRP 51 -1.611 -18.937 8.821 372 HD1 TRP 51 HD TRP 51 -3.300 -18.529 5.327 373 HE1 TRP 51 1HE TRP 51 -2.135 -16.605 4.118 374 HE3 TRP 51 3HE TRP 51 0.063 -17.221 8.906 375 HZ2 TRP 51 2HZ TRP 51 -0.278 -14.589 4.714 376 HZ3 TRP 51 3HZ TRP 51 1.515 -15.294 8.511 377 HH2 TRP 51 HH TRP 51 1.366 -13.996 6.467 378 H TRP 52 H TRP 52 -0.473 -19.826 4.879 379 HA TRP 52 HA TRP 52 -2.554 -21.326 3.769 380 1HB TRP 52 2HB TRP 52 0.002 -20.304 2.423 381 2HB TRP 52 1HB TRP 52 -1.439 -20.922 1.564 382 HD1 TRP 52 HD TRP 52 0.017 -17.712 2.126 383 HE1 TRP 52 1HE TRP 52 -1.759 -15.871 1.840 384 HE3 TRP 52 3HE TRP 52 -4.177 -20.566 2.565 385 HZ2 TRP 52 2HZ TRP 52 -4.560 -15.672 1.859 386 HZ3 TRP 52 3HZ TRP 52 -6.352 -19.481 2.438 387 HH2 TRP 52 HH TRP 52 -6.553 -17.080 2.096 388 H GLU 53 H GLU 53 0.884 -22.155 4.221 389 HA GLU 53 HA GLU 53 0.190 -24.876 3.356 390 1HB GLU 53 2HB GLU 53 2.127 -23.784 2.176 391 2HB GLU 53 1HB GLU 53 3.003 -23.793 3.740 392 1HG GLU 53 2HG GLU 53 2.640 -26.314 3.879 393 2HG GLU 53 1HG GLU 53 1.708 -26.237 2.343 394 H LEU 54 H LEU 54 -1.099 -24.820 5.418 395 HA LEU 54 HA LEU 54 0.675 -25.889 7.499 396 1HB LEU 54 2HB LEU 54 -0.685 -23.716 7.958 397 2HB LEU 54 1HB LEU 54 -2.118 -24.778 7.978 398 HG LEU 54 HG LEU 54 -1.009 -26.110 9.845 399 1HD1 LEU 54 1HD1 LEU 54 0.907 -25.030 11.084 400 2HD1 LEU 54 2HD1 LEU 54 1.102 -23.855 9.727 401 3HD1 LEU 54 3HD1 LEU 54 1.395 -25.619 9.461 402 1HD2 LEU 54 1HD2 LEU 54 -2.648 -24.268 10.298 403 2HD2 LEU 54 2HD2 LEU 54 -1.294 -23.073 10.338 404 3HD2 LEU 54 3HD2 LEU 54 -1.397 -24.367 11.592 Start of MODEL 27 1 1H VAL 1 1HT VAL 1 7.857 16.516 9.565 2 2H VAL 1 2HT VAL 1 6.461 17.373 9.205 3 3H VAL 1 3HT VAL 1 7.374 16.677 7.976 4 HA VAL 1 HA VAL 1 5.987 15.017 8.016 5 HB VAL 1 HB VAL 1 6.260 13.294 9.750 6 1HG1 VAL 1 1HG1 VAL 1 8.657 12.899 9.359 7 2HG1 VAL 1 2HG1 VAL 1 8.898 14.580 8.791 8 3HG1 VAL 1 3HG1 VAL 1 7.855 13.443 7.851 9 1HG2 VAL 1 1HG2 VAL 1 7.857 13.646 11.602 10 2HG2 VAL 1 2HG2 VAL 1 6.444 14.732 11.783 11 3HG2 VAL 1 3HG2 VAL 1 8.021 15.385 11.203 12 H VAL 2 H VAL 2 3.822 14.153 8.552 13 HA VAL 2 HA VAL 2 2.598 15.411 10.825 14 HB VAL 2 HB VAL 2 0.538 15.615 9.513 15 1HG1 VAL 2 1HG1 VAL 2 1.171 17.740 8.366 16 2HG1 VAL 2 2HG1 VAL 2 2.906 17.295 8.456 17 3HG1 VAL 2 3HG1 VAL 2 1.992 17.596 9.973 18 1HG2 VAL 2 1HG2 VAL 2 0.675 15.706 7.006 19 2HG2 VAL 2 2HG2 VAL 2 0.970 14.052 7.632 20 3HG2 VAL 2 3HG2 VAL 2 2.351 15.063 7.072 21 H SER 3 H SER 3 1.142 14.084 11.847 22 HA SER 3 HA SER 3 1.140 11.296 10.972 23 1HB SER 3 2HB SER 3 0.277 12.573 13.607 24 2HB SER 3 1HB SER 3 0.310 10.804 13.259 25 HG SER 3 HG SER 3 2.159 11.866 14.355 26 H HIS 4 H HIS 4 -0.450 13.007 9.395 27 HA HIS 4 HA HIS 4 -3.080 11.885 9.989 28 1HB HIS 4 2HB HIS 4 -2.494 14.723 9.007 29 2HB HIS 4 1HB HIS 4 -4.113 13.946 8.907 30 HD1 HIS 4 1HD HIS 4 -3.805 16.498 10.542 31 HD2 HIS 4 2HD HIS 4 -3.514 12.652 12.200 32 HE1 HIS 4 1HE HIS 4 -4.467 16.683 12.958 33 HE2 HIS 4 2HE HIS 4 -4.273 14.356 13.925 34 H PHE 5 H PHE 5 -4.365 11.569 8.021 35 HA PHE 5 HA PHE 5 -2.515 10.454 6.083 36 1HB PHE 5 2HB PHE 5 -4.239 9.174 7.611 37 2HB PHE 5 1HB PHE 5 -5.457 9.686 6.412 38 HD1 PHE 5 1HD PHE 5 -2.472 7.681 7.082 39 HD2 PHE 5 2HD PHE 5 -5.288 8.810 4.111 40 HE1 PHE 5 1HE PHE 5 -1.741 5.811 5.679 41 HE2 PHE 5 2HE PHE 5 -4.565 6.942 2.708 42 HZ PHE 5 HZ PHE 5 -2.803 5.424 3.493 43 H ASN 6 H ASN 6 -2.707 10.636 3.863 44 HA ASN 6 HA ASN 6 -4.734 12.510 2.879 45 1HB ASN 6 2HB ASN 6 -2.152 13.201 3.047 46 2HB ASN 6 1HB ASN 6 -1.984 12.209 1.569 47 1HD2 ASN 6 1HD2 ASN 6 -3.096 13.033 -0.406 48 2HD2 ASN 6 2HD2 ASN 6 -3.747 14.644 -0.460 49 H ASP 7 H ASP 7 -5.269 12.257 0.513 50 HA ASP 7 HA ASP 7 -5.435 9.451 -0.068 51 1HB ASP 7 2HB ASP 7 -7.177 10.026 -1.613 52 2HB ASP 7 1HB ASP 7 -7.475 10.825 -0.052 53 H CYS 8 H CYS 8 -5.687 9.472 -2.768 54 HA CYS 8 HA CYS 8 -2.872 9.561 -3.444 55 1HB CYS 8 2HB CYS 8 -5.155 8.195 -4.947 56 2HB CYS 8 1HB CYS 8 -3.399 7.881 -5.124 57 HA PRO 9 HA PRO 9 -3.798 12.300 -6.888 58 1HB PRO 9 2HB PRO 9 -2.174 10.243 -8.482 59 2HB PRO 9 1HB PRO 9 -2.085 12.049 -8.583 60 1HG PRO 9 2HG PRO 9 -0.188 10.695 -7.170 61 2HG PRO 9 1HG PRO 9 -0.957 12.153 -6.407 62 1HD PRO 9 2HD PRO 9 -1.706 9.189 -5.999 63 2HD PRO 9 1HD PRO 9 -1.420 10.479 -4.738 64 H LEU 10 H LEU 10 -4.520 12.112 -9.313 65 HA LEU 10 HA LEU 10 -7.032 11.137 -9.169 66 1HB LEU 10 2HB LEU 10 -5.406 11.834 -11.669 67 2HB LEU 10 1HB LEU 10 -7.179 11.642 -11.609 68 HG LEU 10 HG LEU 10 -6.788 13.908 -11.686 69 1HD1 LEU 10 1HD1 LEU 10 -8.554 13.235 -10.040 70 2HD1 LEU 10 2HD1 LEU 10 -7.808 14.827 -9.659 71 3HD1 LEU 10 3HD1 LEU 10 -7.347 13.376 -8.704 72 1HD2 LEU 10 1HD2 LEU 10 -4.363 13.936 -11.014 73 2HD2 LEU 10 2HD2 LEU 10 -4.887 13.923 -9.276 74 3HD2 LEU 10 3HD2 LEU 10 -5.356 15.282 -10.347 75 H SER 11 H SER 11 -4.365 9.622 -11.001 76 HA SER 11 HA SER 11 -6.003 7.214 -11.208 77 1HB SER 11 2HB SER 11 -4.077 6.150 -12.360 78 2HB SER 11 1HB SER 11 -4.816 7.539 -13.197 79 HG SER 11 HG SER 11 -2.364 7.509 -11.773 80 H HIS 12 H HIS 12 -6.216 6.095 -9.403 81 HA HIS 12 HA HIS 12 -4.157 6.440 -7.384 82 1HB HIS 12 2HB HIS 12 -5.639 5.874 -5.734 83 2HB HIS 12 1HB HIS 12 -6.591 6.864 -6.866 84 HD1 HIS 12 1HD HIS 12 -8.371 5.433 -8.300 85 HD2 HIS 12 2HD HIS 12 -6.545 3.387 -5.149 86 HE1 HIS 12 1HE HIS 12 -9.703 3.290 -7.946 87 HE2 HIS 12 2HE HIS 12 -8.589 2.110 -6.013 88 H ASP 13 H ASP 13 -5.644 3.753 -9.228 89 HA ASP 13 HA ASP 13 -3.705 1.948 -7.956 90 1HB ASP 13 2HB ASP 13 -6.316 1.553 -9.501 91 2HB ASP 13 1HB ASP 13 -5.126 0.214 -9.376 92 H GLY 14 H GLY 14 -2.257 0.753 -9.120 93 1HA GLY 14 2HA GLY 14 -2.332 0.482 -11.888 94 2HA GLY 14 1HA GLY 14 -1.183 1.799 -11.439 95 H TYR 15 H TYR 15 0.490 1.244 -9.834 96 HA TYR 15 HA TYR 15 1.687 -1.226 -10.676 97 1HB TYR 15 2HB TYR 15 2.817 1.062 -10.671 98 2HB TYR 15 1HB TYR 15 2.791 1.015 -8.881 99 HD1 TYR 15 1HD TYR 15 3.834 -0.985 -11.868 100 HD2 TYR 15 2HD TYR 15 4.643 0.070 -7.835 101 HE1 TYR 15 1HE TYR 15 5.962 -2.170 -11.992 102 HE2 TYR 15 2HE TYR 15 6.785 -1.099 -7.955 103 HH TYR 15 HH TYR 15 8.375 -1.771 -9.549 104 H CYS 16 H CYS 16 0.212 0.054 -7.747 105 HA CYS 16 HA CYS 16 1.420 -2.007 -6.112 106 1HB CYS 16 2HB CYS 16 1.240 0.484 -5.566 107 2HB CYS 16 1HB CYS 16 -0.510 0.238 -5.367 108 H LEU 17 H LEU 17 0.477 -3.965 -6.222 109 HA LEU 17 HA LEU 17 -2.215 -4.217 -7.130 110 1HB LEU 17 2HB LEU 17 0.211 -5.946 -6.845 111 2HB LEU 17 1HB LEU 17 -1.354 -6.782 -6.842 112 HG LEU 17 HG LEU 17 -1.975 -5.835 -9.002 113 1HD1 LEU 17 1HD1 LEU 17 -0.750 -3.656 -9.041 114 2HD1 LEU 17 2HD1 LEU 17 -0.304 -4.673 -10.452 115 3HD1 LEU 17 3HD1 LEU 17 0.825 -4.544 -9.058 116 1HD2 LEU 17 1HD2 LEU 17 -0.352 -7.136 -10.358 117 2HD2 LEU 17 2HD2 LEU 17 -0.734 -8.004 -8.822 118 3HD2 LEU 17 3HD2 LEU 17 0.833 -7.120 -8.993 119 H HIS 18 H HIS 18 -3.442 -6.150 -6.289 120 HA HIS 18 HA HIS 18 -4.966 -6.739 -4.900 121 1HB HIS 18 2HB HIS 18 -2.456 -7.154 -3.329 122 2HB HIS 18 1HB HIS 18 -3.996 -7.371 -2.451 123 HD1 HIS 18 1HD HIS 18 -2.923 -9.798 -2.276 124 HD2 HIS 18 2HD HIS 18 -4.867 -8.761 -5.856 125 HE1 HIS 18 1HE HIS 18 -3.619 -11.930 -3.375 126 HE2 HIS 18 2HE HIS 18 -4.872 -11.289 -5.451 127 H ASP 19 H ASP 19 -5.290 -4.114 -5.199 128 HA ASP 19 HA ASP 19 -6.006 -2.257 -4.353 129 1HB ASP 19 2HB ASP 19 -7.338 -4.285 -2.672 130 2HB ASP 19 1HB ASP 19 -7.209 -2.693 -1.846 131 H GLY 20 H GLY 20 -3.902 -1.569 -4.360 132 1HA GLY 20 2HA GLY 20 -2.388 -1.629 -1.901 133 2HA GLY 20 1HA GLY 20 -1.983 -0.872 -3.484 134 H VAL 21 H VAL 21 -2.317 -0.071 -0.353 135 HA VAL 21 HA VAL 21 -4.135 2.128 -0.632 136 HB VAL 21 HB VAL 21 -2.375 1.391 1.714 137 1HG1 VAL 21 1HG1 VAL 21 -4.083 2.780 2.949 138 2HG1 VAL 21 2HG1 VAL 21 -4.876 3.196 1.390 139 3HG1 VAL 21 3HG1 VAL 21 -3.203 3.775 1.740 140 1HG2 VAL 21 1HG2 VAL 21 -5.287 0.641 1.013 141 2HG2 VAL 21 2HG2 VAL 21 -4.497 0.374 2.611 142 3HG2 VAL 21 3HG2 VAL 21 -3.897 -0.502 1.166 143 H CYS 22 H CYS 22 -3.360 3.676 -1.961 144 HA CYS 22 HA CYS 22 -0.592 4.489 -1.803 145 1HB CYS 22 2HB CYS 22 -1.298 6.048 -3.710 146 2HB CYS 22 1HB CYS 22 -1.348 4.295 -3.997 147 H MET 23 H MET 23 0.084 6.722 -1.553 148 HA MET 23 HA MET 23 -1.862 8.595 -0.619 149 1HB MET 23 2HB MET 23 -0.819 9.001 1.586 150 2HB MET 23 1HB MET 23 -1.528 7.373 1.456 151 1HG MET 23 2HG MET 23 0.915 6.594 0.795 152 2HG MET 23 1HG MET 23 1.428 8.167 1.446 153 1HE MET 23 1HE MET 23 0.806 4.558 1.955 154 2HE MET 23 2HE MET 23 -0.899 5.101 2.064 155 3HE MET 23 3HE MET 23 -0.097 4.349 3.487 156 H TYR 24 H TYR 24 -1.208 10.678 -0.933 157 HA TYR 24 HA TYR 24 1.638 11.140 -1.490 158 1HB TYR 24 2HB TYR 24 0.391 11.350 -3.614 159 2HB TYR 24 1HB TYR 24 -0.847 12.376 -2.797 160 HD1 TYR 24 1HD TYR 24 2.835 12.922 -2.271 161 HD2 TYR 24 2HD TYR 24 -0.727 13.974 -4.359 162 HE1 TYR 24 1HE TYR 24 3.877 14.964 -2.998 163 HE2 TYR 24 2HE TYR 24 0.310 16.008 -5.123 164 HH TYR 24 HH TYR 24 3.665 16.875 -4.184 165 H ILE 25 H ILE 25 2.452 12.147 0.303 166 HA ILE 25 HA ILE 25 0.654 13.945 1.736 167 HB ILE 25 HB ILE 25 2.471 13.693 3.508 168 1HG1 ILE 25 2HG1 ILE 25 3.948 12.221 1.949 169 2HG1 ILE 25 1HG1 ILE 25 3.720 11.791 3.660 170 1HG2 ILE 25 1HG2 ILE 25 0.120 13.157 3.780 171 2HG2 ILE 25 2HG2 ILE 25 1.115 11.833 4.473 172 3HG2 ILE 25 3HG2 ILE 25 0.313 11.605 2.883 173 1HD1 ILE 25 1HD1 ILE 25 3.651 9.787 2.191 174 2HD1 ILE 25 2HD1 ILE 25 2.165 10.413 1.394 175 3HD1 ILE 25 3HD1 ILE 25 2.143 10.000 3.143 176 H GLU 26 H GLU 26 0.846 15.894 0.940 177 HA GLU 26 HA GLU 26 2.997 17.050 -0.274 178 1HB GLU 26 2HB GLU 26 0.578 17.752 -0.304 179 2HB GLU 26 1HB GLU 26 0.756 18.333 1.373 180 1HG GLU 26 2HG GLU 26 2.536 20.005 0.499 181 2HG GLU 26 1HG GLU 26 2.132 19.441 -1.165 182 H ALA 27 H ALA 27 2.158 16.997 3.172 183 HA ALA 27 HA ALA 27 3.941 18.845 4.118 184 1HB ALA 27 1HB ALA 27 2.103 17.846 5.425 185 2HB ALA 27 2HB ALA 27 3.659 17.606 6.290 186 3HB ALA 27 3HB ALA 27 2.903 16.237 5.363 187 H LEU 28 H LEU 28 4.556 15.399 3.496 188 HA LEU 28 HA LEU 28 7.286 15.620 4.359 189 1HB LEU 28 2HB LEU 28 5.586 13.352 3.203 190 2HB LEU 28 1HB LEU 28 7.342 13.209 3.534 191 HG LEU 28 HG LEU 28 6.888 13.981 5.901 192 1HD1 LEU 28 1HD1 LEU 28 3.980 13.243 5.200 193 2HD1 LEU 28 2HD1 LEU 28 4.606 14.801 5.879 194 3HD1 LEU 28 3HD1 LEU 28 4.644 13.291 6.866 195 1HD2 LEU 28 1HD2 LEU 28 7.521 11.653 5.253 196 2HD2 LEU 28 2HD2 LEU 28 5.793 11.247 4.953 197 3HD2 LEU 28 3HD2 LEU 28 6.351 11.634 6.620 198 H ASP 29 H ASP 29 5.430 15.603 1.434 199 HA ASP 29 HA ASP 29 5.753 16.245 -0.554 200 1HB ASP 29 2HB ASP 29 7.756 17.606 0.392 201 2HB ASP 29 1HB ASP 29 8.793 16.323 -0.307 202 H LYS 30 H LYS 30 6.292 13.450 0.722 203 HA LYS 30 HA LYS 30 7.048 12.113 -1.780 204 1HB LYS 30 2HB LYS 30 7.398 11.273 1.162 205 2HB LYS 30 1HB LYS 30 7.806 10.233 -0.233 206 1HG LYS 30 2HG LYS 30 9.199 12.858 0.509 207 2HG LYS 30 1HG LYS 30 9.829 11.181 0.616 208 1HD LYS 30 2HD LYS 30 9.277 11.020 -1.925 209 2HD LYS 30 1HD LYS 30 9.112 12.803 -1.874 210 1HE LYS 30 2HE LYS 30 11.505 13.066 -1.298 211 2HE LYS 30 1HE LYS 30 11.689 11.278 -1.058 212 1HZ LYS 30 1HZ LYS 30 10.807 12.482 -3.636 213 2HZ LYS 30 2HZ LYS 30 11.304 10.907 -3.352 214 3HZ LYS 30 3HZ LYS 30 12.422 12.152 -3.300 215 H TYR 31 H TYR 31 6.417 9.695 -1.563 216 HA TYR 31 HA TYR 31 3.515 9.635 -1.196 217 1HB TYR 31 2HB TYR 31 4.930 7.939 -3.312 218 2HB TYR 31 1HB TYR 31 3.228 8.496 -3.258 219 HD1 TYR 31 1HD TYR 31 2.683 10.709 -4.106 220 HD2 TYR 31 2HD TYR 31 6.681 9.317 -4.015 221 HE1 TYR 31 1HE TYR 31 3.360 12.596 -5.530 222 HE2 TYR 31 2HE TYR 31 7.382 11.206 -5.431 223 HH TYR 31 HH TYR 31 5.068 13.706 -6.460 224 H ALA 32 H ALA 32 2.795 7.262 -1.036 225 HA ALA 32 HA ALA 32 4.887 5.383 -0.873 226 1HB ALA 32 1HB ALA 32 4.930 6.140 1.540 227 2HB ALA 32 2HB ALA 32 4.331 4.451 1.429 228 3HB ALA 32 3HB ALA 32 3.170 5.811 1.670 229 H CYS 33 H CYS 33 3.994 3.109 -0.687 230 HA CYS 33 HA CYS 33 1.103 3.026 -0.807 231 1HB CYS 33 2HB CYS 33 2.031 2.607 -3.149 232 2HB CYS 33 1HB CYS 33 2.796 1.129 -2.501 233 H ASN 34 H ASN 34 0.221 1.584 0.582 234 HA ASN 34 HA ASN 34 2.012 -0.397 1.834 235 1HB ASN 34 2HB ASN 34 -0.472 1.081 2.846 236 2HB ASN 34 1HB ASN 34 0.018 -0.501 3.549 237 1HD2 ASN 34 1HD2 ASN 34 0.897 -0.103 5.485 238 2HD2 ASN 34 2HD2 ASN 34 2.030 1.175 5.842 239 H CYS 35 H CYS 35 1.129 -2.538 2.166 240 HA CYS 35 HA CYS 35 -1.116 -3.131 0.398 241 1HB CYS 35 2HB CYS 35 0.101 -5.092 -0.541 242 2HB CYS 35 1HB CYS 35 0.815 -3.514 -0.984 243 H VAL 36 H VAL 36 -1.675 -5.517 0.568 244 HA VAL 36 HA VAL 36 -2.643 -5.939 3.105 245 HB VAL 36 HB VAL 36 -2.316 -7.981 0.907 246 1HG1 VAL 36 1HG1 VAL 36 -3.213 -9.047 2.949 247 2HG1 VAL 36 2HG1 VAL 36 -4.540 -8.821 1.772 248 3HG1 VAL 36 3HG1 VAL 36 -4.404 -7.694 3.164 249 1HG2 VAL 36 1HG2 VAL 36 -3.342 -5.995 -0.131 250 2HG2 VAL 36 2HG2 VAL 36 -4.410 -5.739 1.305 251 3HG2 VAL 36 3HG2 VAL 36 -4.656 -7.153 0.226 252 H VAL 37 H VAL 37 -2.359 -7.757 4.546 253 HA VAL 37 HA VAL 37 0.444 -8.034 5.119 254 HB VAL 37 HB VAL 37 -1.972 -8.904 6.731 255 1HG1 VAL 37 1HG1 VAL 37 1.018 -8.530 7.456 256 2HG1 VAL 37 2HG1 VAL 37 0.125 -10.099 7.428 257 3HG1 VAL 37 3HG1 VAL 37 -0.308 -8.839 8.624 258 1HG2 VAL 37 1HG2 VAL 37 -0.263 -6.329 6.775 259 2HG2 VAL 37 2HG2 VAL 37 -1.454 -6.806 8.037 260 3HG2 VAL 37 3HG2 VAL 37 -2.019 -6.442 6.372 261 H GLY 38 H GLY 38 1.601 -9.913 5.123 262 1HA GLY 38 2HA GLY 38 2.033 -12.093 4.876 263 2HA GLY 38 1HA GLY 38 0.310 -12.428 4.508 264 H TYR 39 H TYR 39 1.835 -9.849 2.821 265 HA TYR 39 HA TYR 39 2.328 -11.541 0.482 266 1HB TYR 39 2HB TYR 39 0.879 -8.812 0.658 267 2HB TYR 39 1HB TYR 39 1.618 -9.419 -0.858 268 HD1 TYR 39 1HD TYR 39 -1.199 -9.813 1.383 269 HD2 TYR 39 2HD TYR 39 0.997 -11.575 -1.786 270 HE1 TYR 39 1HE TYR 39 -3.162 -11.157 0.781 271 HE2 TYR 39 2HE TYR 39 -0.925 -12.981 -2.348 272 HH TYR 39 HH TYR 39 -4.073 -12.430 -0.906 273 H ILE 40 H ILE 40 4.172 -11.158 -0.620 274 HA ILE 40 HA ILE 40 5.935 -9.059 0.417 275 HB ILE 40 HB ILE 40 7.793 -10.750 0.151 276 1HG1 ILE 40 2HG1 ILE 40 5.430 -12.725 0.285 277 2HG1 ILE 40 1HG1 ILE 40 6.396 -12.375 -1.192 278 1HG2 ILE 40 1HG2 ILE 40 5.678 -11.233 2.338 279 2HG2 ILE 40 2HG2 ILE 40 6.895 -9.894 2.305 280 3HG2 ILE 40 3HG2 ILE 40 7.439 -11.599 2.423 281 1HD1 ILE 40 1HD1 ILE 40 8.475 -13.145 0.047 282 2HD1 ILE 40 2HD1 ILE 40 7.234 -14.439 -0.145 283 3HD1 ILE 40 3HD1 ILE 40 7.436 -13.623 1.440 284 H GLY 41 H GLY 41 7.703 -8.481 -0.856 285 1HA GLY 41 2HA GLY 41 8.900 -8.402 -2.778 286 2HA GLY 41 1HA GLY 41 7.548 -9.132 -3.699 287 H GLU 42 H GLU 42 8.356 -7.242 -5.127 288 HA GLU 42 HA GLU 42 8.295 -4.640 -4.331 289 1HB GLU 42 2HB GLU 42 7.687 -5.774 -7.111 290 2HB GLU 42 1HB GLU 42 8.152 -4.084 -6.777 291 1HG GLU 42 2HG GLU 42 10.405 -4.732 -6.107 292 2HG GLU 42 1HG GLU 42 9.993 -6.485 -6.176 293 H ARG 43 H ARG 43 5.767 -6.424 -6.054 294 HA ARG 43 HA ARG 43 3.906 -4.182 -5.699 295 1HB ARG 43 2HB ARG 43 2.703 -5.154 -7.609 296 2HB ARG 43 1HB ARG 43 4.405 -4.804 -7.978 297 1HG ARG 43 2HG ARG 43 4.708 -7.439 -7.259 298 2HG ARG 43 1HG ARG 43 3.004 -7.462 -7.762 299 1HD ARG 43 2HD ARG 43 4.335 -8.050 -9.699 300 2HD ARG 43 1HD ARG 43 3.757 -6.366 -9.981 301 HE ARG 43 HE ARG 43 6.509 -7.089 -8.869 302 1HH1 ARG 43 1HH1 ARG 43 4.669 -4.882 -11.025 303 2HH1 ARG 43 2HH1 ARG 43 6.064 -4.655 -12.031 304 1HH2 ARG 43 1HH2 ARG 43 8.359 -6.168 -9.979 305 2HH2 ARG 43 2HH2 ARG 43 8.053 -5.366 -11.465 306 H CYS 44 H CYS 44 4.775 -6.473 -3.803 307 HA CYS 44 HA CYS 44 3.981 -7.895 -2.413 308 1HB CYS 44 2HB CYS 44 1.419 -6.271 -2.379 309 2HB CYS 44 1HB CYS 44 2.074 -7.305 -1.073 310 H GLN 45 H GLN 45 3.932 -9.180 -4.637 311 HA GLN 45 HA GLN 45 1.274 -10.192 -5.158 312 1HB GLN 45 2HB GLN 45 3.028 -9.527 -6.907 313 2HB GLN 45 1HB GLN 45 3.860 -11.047 -6.495 314 1HG GLN 45 2HG GLN 45 1.635 -12.279 -7.030 315 2HG GLN 45 1HG GLN 45 0.981 -10.692 -7.583 316 1HE2 GLN 45 1HE2 GLN 45 2.336 -9.564 -9.307 317 2HE2 GLN 45 2HE2 GLN 45 3.064 -10.578 -10.534 318 H TYR 46 H TYR 46 4.353 -11.458 -3.758 319 HA TYR 46 HA TYR 46 3.283 -14.113 -4.100 320 1HB TYR 46 2HB TYR 46 5.938 -13.457 -2.791 321 2HB TYR 46 1HB TYR 46 5.430 -14.978 -3.600 322 HD1 TYR 46 1HD TYR 46 7.647 -12.592 -3.924 323 HD2 TYR 46 2HD TYR 46 4.370 -14.102 -6.183 324 HE1 TYR 46 1HE TYR 46 8.681 -11.769 -5.967 325 HE2 TYR 46 2HE TYR 46 5.394 -13.281 -8.223 326 HH TYR 46 HH TYR 46 8.603 -11.823 -8.265 327 H ARG 47 H ARG 47 3.133 -15.678 -2.434 328 HA ARG 47 HA ARG 47 1.828 -14.415 -0.180 329 1HB ARG 47 2HB ARG 47 1.723 -17.300 -1.156 330 2HB ARG 47 1HB ARG 47 0.586 -16.503 -0.020 331 1HG ARG 47 2HG ARG 47 -0.148 -14.983 -1.896 332 2HG ARG 47 1HG ARG 47 1.016 -15.803 -2.993 333 1HD ARG 47 2HD ARG 47 -0.203 -18.003 -2.538 334 2HD ARG 47 1HD ARG 47 -1.495 -17.032 -1.706 335 HE ARG 47 HE ARG 47 -1.010 -15.782 -4.241 336 1HH1 ARG 47 1HH1 ARG 47 -2.353 -18.888 -3.107 337 2HH1 ARG 47 2HH1 ARG 47 -2.979 -19.281 -4.645 338 1HH2 ARG 47 1HH2 ARG 47 -1.804 -16.386 -6.249 339 2HH2 ARG 47 2HH2 ARG 47 -2.448 -17.974 -6.500 340 H ASP 48 H ASP 48 2.415 -14.593 1.911 341 HA ASP 48 HA ASP 48 4.843 -15.988 2.506 342 1HB ASP 48 2HB ASP 48 4.287 -13.642 3.277 343 2HB ASP 48 1HB ASP 48 2.982 -14.334 4.301 344 H LEU 49 H LEU 49 5.094 -17.711 3.902 345 HA LEU 49 HA LEU 49 2.824 -19.457 3.754 346 1HB LEU 49 2HB LEU 49 4.302 -21.252 3.862 347 2HB LEU 49 1HB LEU 49 5.032 -20.044 2.781 348 HG LEU 49 HG LEU 49 5.848 -20.487 5.717 349 1HD1 LEU 49 1HD1 LEU 49 7.123 -21.536 3.124 350 2HD1 LEU 49 2HD1 LEU 49 6.240 -22.515 4.357 351 3HD1 LEU 49 3HD1 LEU 49 7.798 -21.709 4.785 352 1HD2 LEU 49 1HD2 LEU 49 6.547 -18.220 4.965 353 2HD2 LEU 49 2HD2 LEU 49 7.251 -18.933 3.456 354 3HD2 LEU 49 3HD2 LEU 49 7.963 -19.314 5.063 355 H LYS 50 H LYS 50 3.791 -17.528 6.260 356 HA LYS 50 HA LYS 50 4.275 -19.364 8.244 357 1HB LYS 50 2HB LYS 50 3.291 -16.505 8.607 358 2HB LYS 50 1HB LYS 50 4.186 -17.493 9.802 359 1HG LYS 50 2HG LYS 50 5.248 -16.444 7.116 360 2HG LYS 50 1HG LYS 50 5.631 -15.817 8.733 361 1HD LYS 50 2HD LYS 50 6.313 -18.629 7.686 362 2HD LYS 50 1HD LYS 50 7.430 -17.225 7.745 363 1HE LYS 50 2HE LYS 50 7.231 -17.176 10.269 364 2HE LYS 50 1HE LYS 50 6.145 -18.627 10.190 365 1HZ LYS 50 1HZ LYS 50 7.943 -19.866 9.184 366 2HZ LYS 50 2HZ LYS 50 8.435 -19.177 10.653 367 3HZ LYS 50 3HZ LYS 50 8.949 -18.513 9.183 368 H TRP 51 H TRP 51 1.126 -17.756 7.650 369 HA TRP 51 HA TRP 51 0.017 -19.270 9.845 370 1HB TRP 51 2HB TRP 51 -2.193 -18.415 9.031 371 2HB TRP 51 1HB TRP 51 -0.996 -17.234 9.662 372 HD1 TRP 51 HD TRP 51 -2.070 -18.468 6.063 373 HE1 TRP 51 1HE TRP 51 -2.127 -16.341 4.567 374 HE3 TRP 51 3HE TRP 51 -0.851 -15.000 9.559 375 HZ2 TRP 51 2HZ TRP 51 -2.002 -13.574 4.946 376 HZ3 TRP 51 3HZ TRP 51 -0.922 -12.640 8.957 377 HH2 TRP 51 HH TRP 51 -1.487 -11.925 6.703 378 H TRP 52 H TRP 52 0.392 -19.762 6.451 379 HA TRP 52 HA TRP 52 -1.666 -21.711 6.227 380 1HB TRP 52 2HB TRP 52 0.777 -21.132 4.458 381 2HB TRP 52 1HB TRP 52 -0.546 -22.267 4.027 382 HD1 TRP 52 HD TRP 52 0.394 -18.772 3.373 383 HE1 TRP 52 1HE TRP 52 -1.673 -17.443 2.563 384 HE3 TRP 52 3HE TRP 52 -3.250 -22.114 4.537 385 HZ2 TRP 52 2HZ TRP 52 -4.399 -17.934 2.120 386 HZ3 TRP 52 3HZ TRP 52 -5.552 -21.624 3.895 387 HH2 TRP 52 HH TRP 52 -6.123 -19.579 2.701 388 H GLU 53 H GLU 53 1.889 -22.101 6.193 389 HA GLU 53 HA GLU 53 1.418 -24.986 6.241 390 1HB GLU 53 2HB GLU 53 2.770 -23.608 4.444 391 2HB GLU 53 1HB GLU 53 4.080 -23.666 5.633 392 1HG GLU 53 2HG GLU 53 4.433 -25.552 4.179 393 2HG GLU 53 1HG GLU 53 3.713 -26.278 5.658 394 H LEU 54 H LEU 54 0.847 -24.475 8.608 395 HA LEU 54 HA LEU 54 3.287 -24.679 10.227 396 1HB LEU 54 2HB LEU 54 1.735 -22.485 10.135 397 2HB LEU 54 1HB LEU 54 0.742 -23.414 11.280 398 HG LEU 54 HG LEU 54 2.232 -21.870 12.409 399 1HD1 LEU 54 1HD1 LEU 54 3.339 -24.702 12.883 400 2HD1 LEU 54 2HD1 LEU 54 1.814 -24.024 13.587 401 3HD1 LEU 54 3HD1 LEU 54 3.407 -23.306 14.018 402 1HD2 LEU 54 1HD2 LEU 54 4.646 -23.288 11.118 403 2HD2 LEU 54 2HD2 LEU 54 4.690 -21.943 12.310 404 3HD2 LEU 54 3HD2 LEU 54 4.002 -21.665 10.663 Start of MODEL 28 1 1H VAL 1 1HT VAL 1 8.172 18.381 7.613 2 2H VAL 1 2HT VAL 1 8.000 20.048 7.654 3 3H VAL 1 3HT VAL 1 7.056 19.171 6.619 4 HA VAL 1 HA VAL 1 6.834 18.180 9.253 5 HB VAL 1 HB VAL 1 5.659 20.035 10.339 6 1HG1 VAL 1 1HG1 VAL 1 8.045 19.507 10.821 7 2HG1 VAL 1 2HG1 VAL 1 7.669 21.251 10.988 8 3HG1 VAL 1 3HG1 VAL 1 8.570 20.678 9.548 9 1HG2 VAL 1 1HG2 VAL 1 4.973 21.375 8.334 10 2HG2 VAL 1 2HG2 VAL 1 6.697 21.743 7.971 11 3HG2 VAL 1 3HG2 VAL 1 5.947 22.345 9.484 12 H VAL 2 H VAL 2 4.694 17.545 9.880 13 HA VAL 2 HA VAL 2 3.062 17.290 7.527 14 HB VAL 2 HB VAL 2 3.725 15.305 8.529 15 1HG1 VAL 2 1HG1 VAL 2 2.233 16.180 11.083 16 2HG1 VAL 2 2HG1 VAL 2 4.021 15.975 10.912 17 3HG1 VAL 2 3HG1 VAL 2 2.936 14.562 10.751 18 1HG2 VAL 2 1HG2 VAL 2 1.549 14.229 8.613 19 2HG2 VAL 2 2HG2 VAL 2 1.467 15.557 7.401 20 3HG2 VAL 2 3HG2 VAL 2 0.713 15.764 9.034 21 H SER 3 H SER 3 1.364 18.476 7.098 22 HA SER 3 HA SER 3 0.109 19.952 9.285 23 1HB SER 3 2HB SER 3 -0.196 20.267 6.255 24 2HB SER 3 1HB SER 3 -0.896 21.341 7.516 25 HG SER 3 HG SER 3 1.146 21.963 8.078 26 H HIS 4 H HIS 4 -0.942 17.985 6.396 27 HA HIS 4 HA HIS 4 -3.142 17.034 8.089 28 1HB HIS 4 2HB HIS 4 -3.151 17.440 5.041 29 2HB HIS 4 1HB HIS 4 -4.415 16.585 5.981 30 HD1 HIS 4 1HD HIS 4 -3.150 20.087 5.295 31 HD2 HIS 4 2HD HIS 4 -6.379 18.121 7.116 32 HE1 HIS 4 1HE HIS 4 -4.844 21.824 5.780 33 HE2 HIS 4 2HE HIS 4 -6.787 20.659 6.894 34 H PHE 5 H PHE 5 -3.766 14.806 7.604 35 HA PHE 5 HA PHE 5 -1.725 13.366 6.062 36 1HB PHE 5 2HB PHE 5 -2.306 12.867 8.747 37 2HB PHE 5 1HB PHE 5 -3.428 11.729 7.939 38 HD1 PHE 5 1HD PHE 5 -2.434 10.108 6.255 39 HD2 PHE 5 2HD PHE 5 -0.007 12.563 8.734 40 HE1 PHE 5 1HE PHE 5 -0.519 8.671 5.791 41 HE2 PHE 5 2HE PHE 5 1.934 11.143 8.225 42 HZ PHE 5 HZ PHE 5 1.674 9.192 6.766 43 H ASN 6 H ASN 6 -2.476 11.994 4.434 44 HA ASN 6 HA ASN 6 -5.368 11.991 4.028 45 1HB ASN 6 2HB ASN 6 -3.315 12.515 1.800 46 2HB ASN 6 1HB ASN 6 -5.098 12.476 1.629 47 1HD2 ASN 6 1HD2 ASN 6 -5.833 14.184 3.870 48 2HD2 ASN 6 2HD2 ASN 6 -5.367 15.774 3.352 49 H ASP 7 H ASP 7 -6.046 10.234 2.641 50 HA ASP 7 HA ASP 7 -4.037 8.133 2.243 51 1HB ASP 7 2HB ASP 7 -7.107 8.144 2.038 52 2HB ASP 7 1HB ASP 7 -6.069 6.746 1.563 53 H CYS 8 H CYS 8 -4.281 7.060 0.047 54 HA CYS 8 HA CYS 8 -3.954 9.113 -1.941 55 1HB CYS 8 2HB CYS 8 -2.391 7.230 -1.460 56 2HB CYS 8 1HB CYS 8 -3.675 6.066 -1.861 57 HA PRO 9 HA PRO 9 -7.976 8.274 -3.509 58 1HB PRO 9 2HB PRO 9 -7.775 8.781 -6.255 59 2HB PRO 9 1HB PRO 9 -7.775 10.057 -4.981 60 1HG PRO 9 2HG PRO 9 -5.310 8.746 -6.268 61 2HG PRO 9 1HG PRO 9 -5.670 10.525 -6.099 62 1HD PRO 9 2HD PRO 9 -4.084 9.256 -4.265 63 2HD PRO 9 1HD PRO 9 -5.366 10.410 -3.679 64 H LEU 10 H LEU 10 -9.273 6.847 -4.772 65 HA LEU 10 HA LEU 10 -8.767 4.382 -4.154 66 1HB LEU 10 2HB LEU 10 -10.940 5.361 -4.777 67 2HB LEU 10 1HB LEU 10 -10.466 5.381 -6.492 68 HG LEU 10 HG LEU 10 -10.415 2.873 -6.511 69 1HD1 LEU 10 1HD1 LEU 10 -9.842 2.361 -4.148 70 2HD1 LEU 10 2HD1 LEU 10 -11.434 1.632 -4.555 71 3HD1 LEU 10 3HD1 LEU 10 -11.364 3.147 -3.587 72 1HD2 LEU 10 1HD2 LEU 10 -12.480 4.107 -7.144 73 2HD2 LEU 10 2HD2 LEU 10 -13.027 4.097 -5.422 74 3HD2 LEU 10 3HD2 LEU 10 -12.872 2.547 -6.331 75 H SER 11 H SER 11 -8.464 5.326 -7.574 76 HA SER 11 HA SER 11 -6.367 3.298 -7.871 77 1HB SER 11 2HB SER 11 -8.440 2.137 -8.602 78 2HB SER 11 1HB SER 11 -8.833 3.505 -9.679 79 HG SER 11 HG SER 11 -6.402 2.054 -9.901 80 H HIS 12 H HIS 12 -4.660 4.547 -8.409 81 HA HIS 12 HA HIS 12 -5.039 6.373 -10.642 82 1HB HIS 12 2HB HIS 12 -5.594 7.568 -8.399 83 2HB HIS 12 1HB HIS 12 -3.859 7.444 -8.020 84 HD1 HIS 12 1HD HIS 12 -6.328 9.553 -9.680 85 HD2 HIS 12 2HD HIS 12 -2.238 8.809 -10.260 86 HE1 HIS 12 1HE HIS 12 -5.422 11.485 -10.982 87 HE2 HIS 12 2HE HIS 12 -2.969 11.024 -11.334 88 H ASP 13 H ASP 13 -2.776 4.874 -8.305 89 HA ASP 13 HA ASP 13 -0.636 5.299 -10.247 90 1HB ASP 13 2HB ASP 13 -0.543 6.118 -7.759 91 2HB ASP 13 1HB ASP 13 -0.356 4.386 -7.331 92 H GLY 14 H GLY 14 0.774 3.350 -10.579 93 1HA GLY 14 2HA GLY 14 -0.759 0.854 -10.288 94 2HA GLY 14 1HA GLY 14 -0.145 1.457 -11.862 95 H TYR 15 H TYR 15 1.972 2.161 -9.304 96 HA TYR 15 HA TYR 15 3.810 0.185 -10.230 97 1HB TYR 15 2HB TYR 15 4.454 2.568 -9.696 98 2HB TYR 15 1HB TYR 15 4.048 2.260 -7.979 99 HD1 TYR 15 1HD TYR 15 5.957 0.293 -10.591 100 HD2 TYR 15 2HD TYR 15 6.012 2.256 -6.820 101 HE1 TYR 15 1HE TYR 15 8.213 -0.537 -10.190 102 HE2 TYR 15 2HE TYR 15 8.262 1.393 -6.405 103 HH TYR 15 HH TYR 15 9.886 -0.019 -7.115 104 H CYS 16 H CYS 16 1.633 0.542 -7.499 105 HA CYS 16 HA CYS 16 2.758 -1.858 -6.274 106 1HB CYS 16 2HB CYS 16 2.034 0.241 -4.999 107 2HB CYS 16 1HB CYS 16 0.345 -0.200 -5.385 108 H LEU 17 H LEU 17 1.910 -3.879 -6.598 109 HA LEU 17 HA LEU 17 -0.290 -4.013 -8.495 110 1HB LEU 17 2HB LEU 17 1.821 -6.030 -7.611 111 2HB LEU 17 1HB LEU 17 0.457 -6.438 -8.688 112 HG LEU 17 HG LEU 17 2.317 -6.205 -10.042 113 1HD1 LEU 17 1HD1 LEU 17 0.747 -3.582 -10.408 114 2HD1 LEU 17 2HD1 LEU 17 0.216 -5.216 -10.982 115 3HD1 LEU 17 3HD1 LEU 17 1.706 -4.458 -11.650 116 1HD2 LEU 17 1HD2 LEU 17 3.809 -4.868 -8.549 117 2HD2 LEU 17 2HD2 LEU 17 2.894 -3.369 -8.999 118 3HD2 LEU 17 3HD2 LEU 17 3.796 -4.280 -10.253 119 H HIS 18 H HIS 18 -1.619 -6.014 -8.281 120 HA HIS 18 HA HIS 18 -3.304 -6.971 -7.332 121 1HB HIS 18 2HB HIS 18 -1.229 -8.125 -6.317 122 2HB HIS 18 1HB HIS 18 -1.660 -7.330 -4.794 123 HD1 HIS 18 1HD HIS 18 -4.181 -8.114 -3.908 124 HD2 HIS 18 2HD HIS 18 -2.513 -10.421 -6.975 125 HE1 HIS 18 1HE HIS 18 -5.342 -10.359 -3.844 126 HE2 HIS 18 2HE HIS 18 -4.343 -11.707 -5.729 127 H ASP 19 H ASP 19 -3.366 -4.178 -7.085 128 HA ASP 19 HA ASP 19 -4.197 -2.481 -6.083 129 1HB ASP 19 2HB ASP 19 -6.206 -3.737 -6.809 130 2HB ASP 19 1HB ASP 19 -6.377 -4.408 -5.152 131 H GLY 20 H GLY 20 -2.346 -2.199 -4.777 132 1HA GLY 20 2HA GLY 20 -2.643 -2.912 -1.973 133 2HA GLY 20 1HA GLY 20 -1.247 -2.156 -2.811 134 H VAL 21 H VAL 21 -2.126 -1.260 -0.295 135 HA VAL 21 HA VAL 21 -3.890 0.962 -0.737 136 HB VAL 21 HB VAL 21 -2.491 0.049 1.781 137 1HG1 VAL 21 1HG1 VAL 21 -3.125 2.494 1.844 138 2HG1 VAL 21 2HG1 VAL 21 -4.224 1.516 2.873 139 3HG1 VAL 21 3HG1 VAL 21 -4.778 2.076 1.256 140 1HG2 VAL 21 1HG2 VAL 21 -5.347 -0.411 0.691 141 2HG2 VAL 21 2HG2 VAL 21 -4.791 -0.815 2.350 142 3HG2 VAL 21 3HG2 VAL 21 -4.087 -1.678 0.940 143 H CYS 22 H CYS 22 -2.997 2.549 -1.821 144 HA CYS 22 HA CYS 22 -0.252 3.290 -1.627 145 1HB CYS 22 2HB CYS 22 -1.364 3.431 -3.731 146 2HB CYS 22 1HB CYS 22 -2.755 4.268 -3.033 147 H MET 23 H MET 23 0.707 4.971 -0.518 148 HA MET 23 HA MET 23 -1.106 7.052 0.443 149 1HB MET 23 2HB MET 23 1.304 6.124 2.068 150 2HB MET 23 1HB MET 23 0.173 7.467 2.453 151 1HG MET 23 2HG MET 23 -1.679 5.648 2.519 152 2HG MET 23 1HG MET 23 -0.352 4.463 2.527 153 1HE MET 23 1HE MET 23 1.644 5.791 5.813 154 2HE MET 23 2HE MET 23 1.705 6.831 4.357 155 3HE MET 23 3HE MET 23 1.843 5.043 4.195 156 H TYR 24 H TYR 24 -0.590 8.792 -0.803 157 HA TYR 24 HA TYR 24 2.243 9.513 -0.744 158 1HB TYR 24 2HB TYR 24 1.811 9.046 -3.131 159 2HB TYR 24 1HB TYR 24 0.290 10.038 -3.063 160 HD1 TYR 24 1HD TYR 24 3.859 10.502 -1.964 161 HD2 TYR 24 2HD TYR 24 0.502 11.984 -4.121 162 HE1 TYR 24 1HE TYR 24 5.066 12.542 -2.411 163 HE2 TYR 24 2HE TYR 24 1.695 14.029 -4.594 164 HH TYR 24 HH TYR 24 5.030 14.575 -3.381 165 H ILE 25 H ILE 25 2.498 11.202 0.588 166 HA ILE 25 HA ILE 25 0.302 13.112 0.774 167 HB ILE 25 HB ILE 25 1.111 13.408 3.141 168 1HG1 ILE 25 2HG1 ILE 25 3.049 11.643 2.812 169 2HG1 ILE 25 1HG1 ILE 25 2.116 11.736 4.329 170 1HG2 ILE 25 1HG2 ILE 25 -0.660 11.068 2.242 171 2HG2 ILE 25 2HG2 ILE 25 -1.137 12.783 2.515 172 3HG2 ILE 25 3HG2 ILE 25 -0.598 11.761 3.902 173 1HD1 ILE 25 1HD1 ILE 25 2.509 9.382 3.627 174 2HD1 ILE 25 2HD1 ILE 25 1.546 9.661 2.128 175 3HD1 ILE 25 3HD1 ILE 25 0.762 9.774 3.740 176 H GLU 26 H GLU 26 0.865 15.053 0.224 177 HA GLU 26 HA GLU 26 3.264 15.496 -0.952 178 1HB GLU 26 2HB GLU 26 1.158 17.516 -0.063 179 2HB GLU 26 1HB GLU 26 2.380 17.769 -1.356 180 1HG GLU 26 2HG GLU 26 1.358 15.851 -2.653 181 2HG GLU 26 1HG GLU 26 0.045 15.733 -1.423 182 H ALA 27 H ALA 27 2.382 16.477 2.346 183 HA ALA 27 HA ALA 27 4.006 18.720 2.456 184 1HB ALA 27 1HB ALA 27 2.104 18.258 4.020 185 2HB ALA 27 2HB ALA 27 3.636 18.581 4.903 186 3HB ALA 27 3HB ALA 27 3.039 16.894 4.743 187 H LEU 28 H LEU 28 4.598 15.450 3.733 188 HA LEU 28 HA LEU 28 7.392 16.059 4.153 189 1HB LEU 28 2HB LEU 28 5.931 13.366 4.338 190 2HB LEU 28 1HB LEU 28 7.547 13.768 4.997 191 HG LEU 28 HG LEU 28 4.818 14.787 5.955 192 1HD1 LEU 28 1HD1 LEU 28 5.443 12.476 6.663 193 2HD1 LEU 28 2HD1 LEU 28 5.460 13.619 8.060 194 3HD1 LEU 28 3HD1 LEU 28 7.009 13.097 7.313 195 1HD2 LEU 28 1HD2 LEU 28 6.258 16.711 6.187 196 2HD2 LEU 28 2HD2 LEU 28 7.634 15.697 6.798 197 3HD2 LEU 28 3HD2 LEU 28 6.159 15.918 7.807 198 H ASP 29 H ASP 29 5.371 14.850 1.686 199 HA ASP 29 HA ASP 29 5.629 14.204 -0.322 200 1HB ASP 29 2HB ASP 29 7.093 16.321 -0.165 201 2HB ASP 29 1HB ASP 29 8.505 15.226 -0.300 202 H LYS 30 H LYS 30 5.671 12.117 1.183 203 HA LYS 30 HA LYS 30 7.748 10.374 0.042 204 1HB LYS 30 2HB LYS 30 6.228 10.092 2.703 205 2HB LYS 30 1HB LYS 30 7.524 9.010 2.109 206 1HG LYS 30 2HG LYS 30 7.836 11.964 2.935 207 2HG LYS 30 1HG LYS 30 8.326 10.521 3.869 208 1HD LYS 30 2HD LYS 30 9.858 9.844 2.018 209 2HD LYS 30 1HD LYS 30 9.424 11.317 1.111 210 1HE LYS 30 2HE LYS 30 10.536 11.552 3.986 211 2HE LYS 30 1HE LYS 30 11.663 11.224 2.619 212 1HZ LYS 30 1HZ LYS 30 11.073 13.203 1.565 213 2HZ LYS 30 2HZ LYS 30 11.386 13.595 3.140 214 3HZ LYS 30 3HZ LYS 30 9.781 13.538 2.612 215 H TYR 31 H TYR 31 7.262 8.575 -0.880 216 HA TYR 31 HA TYR 31 4.439 7.909 -1.291 217 1HB TYR 31 2HB TYR 31 7.062 7.287 -2.738 218 2HB TYR 31 1HB TYR 31 5.670 6.189 -2.952 219 HD1 TYR 31 1HD TYR 31 6.718 9.733 -3.333 220 HD2 TYR 31 2HD TYR 31 3.878 6.721 -4.255 221 HE1 TYR 31 1HE TYR 31 5.792 11.157 -5.103 222 HE2 TYR 31 2HE TYR 31 2.926 8.142 -6.012 223 HH TYR 31 HH TYR 31 3.153 10.010 -7.192 224 H ALA 32 H ALA 32 3.588 5.884 -0.863 225 HA ALA 32 HA ALA 32 5.359 3.765 -0.235 226 1HB ALA 32 1HB ALA 32 3.326 4.696 1.908 227 2HB ALA 32 2HB ALA 32 5.111 4.791 2.069 228 3HB ALA 32 3HB ALA 32 4.311 3.186 1.999 229 H CYS 33 H CYS 33 4.340 1.729 -0.244 230 HA CYS 33 HA CYS 33 1.430 1.740 -0.571 231 1HB CYS 33 2HB CYS 33 2.684 1.063 -2.723 232 2HB CYS 33 1HB CYS 33 3.285 -0.356 -1.827 233 H ASN 34 H ASN 34 0.368 0.426 0.829 234 HA ASN 34 HA ASN 34 1.971 -1.448 2.442 235 1HB ASN 34 2HB ASN 34 -0.843 -0.346 3.031 236 2HB ASN 34 1HB ASN 34 0.129 -1.441 4.080 237 1HD2 ASN 34 1HD2 ASN 34 -0.635 1.819 3.412 238 2HD2 ASN 34 2HD2 ASN 34 0.652 2.564 4.332 239 H CYS 35 H CYS 35 1.146 -3.641 2.628 240 HA CYS 35 HA CYS 35 -0.354 -4.321 0.218 241 1HB CYS 35 2HB CYS 35 1.269 -6.160 2.040 242 2HB CYS 35 1HB CYS 35 0.621 -6.525 0.411 243 H VAL 36 H VAL 36 -1.530 -6.485 0.471 244 HA VAL 36 HA VAL 36 -3.512 -6.327 2.496 245 HB VAL 36 HB VAL 36 -2.880 -8.472 0.455 246 1HG1 VAL 36 1HG1 VAL 36 -5.373 -8.880 0.557 247 2HG1 VAL 36 2HG1 VAL 36 -5.476 -7.803 1.993 248 3HG1 VAL 36 3HG1 VAL 36 -4.522 -9.351 2.046 249 1HG2 VAL 36 1HG2 VAL 36 -3.142 -6.330 -0.763 250 2HG2 VAL 36 2HG2 VAL 36 -4.599 -5.918 0.225 251 3HG2 VAL 36 3HG2 VAL 36 -4.641 -7.286 -0.934 252 H VAL 37 H VAL 37 -3.975 -8.344 3.860 253 HA VAL 37 HA VAL 37 -1.621 -8.995 5.314 254 HB VAL 37 HB VAL 37 -4.414 -10.135 5.569 255 1HG1 VAL 37 1HG1 VAL 37 -3.595 -10.648 7.919 256 2HG1 VAL 37 2HG1 VAL 37 -1.949 -10.111 7.448 257 3HG1 VAL 37 3HG1 VAL 37 -2.686 -11.572 6.682 258 1HG2 VAL 37 1HG2 VAL 37 -4.452 -7.664 5.848 259 2HG2 VAL 37 2HG2 VAL 37 -2.993 -7.738 6.906 260 3HG2 VAL 37 3HG2 VAL 37 -4.553 -8.436 7.460 261 H GLY 38 H GLY 38 -0.208 -10.613 4.917 262 1HA GLY 38 2HA GLY 38 0.488 -12.627 4.319 263 2HA GLY 38 1HA GLY 38 -1.074 -12.989 3.517 264 H TYR 39 H TYR 39 0.539 -9.970 2.755 265 HA TYR 39 HA TYR 39 1.575 -11.154 0.287 266 1HB TYR 39 2HB TYR 39 -0.149 -8.671 0.696 267 2HB TYR 39 1HB TYR 39 1.113 -8.652 -0.595 268 HD1 TYR 39 1HD TYR 39 -1.937 -10.406 0.561 269 HD2 TYR 39 2HD TYR 39 0.957 -9.944 -2.517 270 HE1 TYR 39 1HE TYR 39 -3.320 -11.741 -0.933 271 HE2 TYR 39 2HE TYR 39 -0.366 -11.368 -3.989 272 HH TYR 39 HH TYR 39 -2.103 -12.757 -4.127 273 H ILE 40 H ILE 40 3.494 -10.536 -0.387 274 HA ILE 40 HA ILE 40 5.008 -8.638 1.240 275 HB ILE 40 HB ILE 40 6.975 -10.204 1.004 276 1HG1 ILE 40 2HG1 ILE 40 4.785 -12.280 0.426 277 2HG1 ILE 40 1HG1 ILE 40 5.763 -11.532 -0.863 278 1HG2 ILE 40 1HG2 ILE 40 6.322 -11.552 2.960 279 2HG2 ILE 40 2HG2 ILE 40 4.586 -11.190 2.679 280 3HG2 ILE 40 3HG2 ILE 40 5.714 -9.864 3.137 281 1HD1 ILE 40 1HD1 ILE 40 6.785 -13.674 -0.274 282 2HD1 ILE 40 2HD1 ILE 40 6.893 -13.211 1.466 283 3HD1 ILE 40 3HD1 ILE 40 7.887 -12.349 0.229 284 H GLY 41 H GLY 41 7.231 -8.348 0.099 285 1HA GLY 41 2HA GLY 41 8.301 -7.757 -1.821 286 2HA GLY 41 1HA GLY 41 6.771 -7.921 -2.761 287 H GLU 42 H GLU 42 8.638 -5.594 -2.631 288 HA GLU 42 HA GLU 42 7.404 -3.660 -0.977 289 1HB GLU 42 2HB GLU 42 8.842 -2.051 -1.998 290 2HB GLU 42 1HB GLU 42 9.755 -3.544 -1.663 291 1HG GLU 42 2HG GLU 42 9.401 -4.185 -4.157 292 2HG GLU 42 1HG GLU 42 8.756 -2.519 -4.402 293 H ARG 43 H ARG 43 6.948 -4.715 -4.278 294 HA ARG 43 HA ARG 43 4.834 -2.768 -4.707 295 1HB ARG 43 2HB ARG 43 4.847 -3.571 -7.019 296 2HB ARG 43 1HB ARG 43 6.433 -2.993 -6.490 297 1HG ARG 43 2HG ARG 43 6.160 -5.904 -6.049 298 2HG ARG 43 1HG ARG 43 5.815 -5.480 -7.729 299 1HD ARG 43 2HD ARG 43 8.387 -4.580 -6.263 300 2HD ARG 43 1HD ARG 43 8.242 -6.077 -7.278 301 HE ARG 43 HE ARG 43 7.298 -4.238 -9.021 302 1HH1 ARG 43 1HH1 ARG 43 10.444 -4.693 -7.356 303 2HH1 ARG 43 2HH1 ARG 43 11.292 -3.873 -8.608 304 1HH2 ARG 43 1HH2 ARG 43 8.529 -3.016 -10.580 305 2HH2 ARG 43 2HH2 ARG 43 10.244 -2.951 -10.360 306 H CYS 44 H CYS 44 4.757 -5.240 -2.848 307 HA CYS 44 HA CYS 44 3.349 -6.702 -2.157 308 1HB CYS 44 2HB CYS 44 1.289 -4.911 -3.498 309 2HB CYS 44 1HB CYS 44 0.946 -6.093 -2.205 310 H GLN 45 H GLN 45 4.483 -7.833 -4.334 311 HA GLN 45 HA GLN 45 2.395 -8.565 -6.172 312 1HB GLN 45 2HB GLN 45 4.836 -7.832 -6.648 313 2HB GLN 45 1HB GLN 45 5.293 -9.492 -6.195 314 1HG GLN 45 2HG GLN 45 3.575 -10.294 -8.021 315 2HG GLN 45 1HG GLN 45 3.454 -8.552 -8.497 316 1HE2 GLN 45 1HE2 GLN 45 5.628 -7.453 -8.918 317 2HE2 GLN 45 2HE2 GLN 45 6.959 -8.389 -9.528 318 H TYR 46 H TYR 46 4.228 -10.234 -3.595 319 HA TYR 46 HA TYR 46 3.246 -12.779 -4.678 320 1HB TYR 46 2HB TYR 46 5.374 -12.671 -2.542 321 2HB TYR 46 1HB TYR 46 5.085 -13.890 -3.811 322 HD1 TYR 46 1HD TYR 46 7.101 -11.264 -2.761 323 HD2 TYR 46 2HD TYR 46 5.436 -12.950 -6.290 324 HE1 TYR 46 1HE TYR 46 8.857 -10.204 -4.086 325 HE2 TYR 46 2HE TYR 46 7.196 -11.907 -7.621 326 HH TYR 46 HH TYR 46 9.061 -10.674 -7.593 327 H ARG 47 H ARG 47 2.056 -14.196 -3.394 328 HA ARG 47 HA ARG 47 1.206 -13.160 -0.807 329 1HB ARG 47 2HB ARG 47 -0.469 -13.999 -2.452 330 2HB ARG 47 1HB ARG 47 0.305 -15.601 -2.416 331 1HG ARG 47 2HG ARG 47 -0.223 -15.784 0.027 332 2HG ARG 47 1HG ARG 47 -1.002 -14.177 0.001 333 1HD ARG 47 2HD ARG 47 -1.950 -16.449 -1.851 334 2HD ARG 47 1HD ARG 47 -2.480 -16.378 -0.141 335 HE ARG 47 HE ARG 47 -3.009 -14.213 -2.217 336 1HH1 ARG 47 1HH1 ARG 47 -3.647 -15.319 1.133 337 2HH1 ARG 47 2HH1 ARG 47 -5.176 -14.445 1.148 338 1HH2 ARG 47 1HH2 ARG 47 -5.179 -13.318 -2.096 339 2HH2 ARG 47 2HH2 ARG 47 -5.921 -13.302 -0.537 340 H ASP 48 H ASP 48 1.974 -13.931 1.043 341 HA ASP 48 HA ASP 48 4.143 -15.838 0.928 342 1HB ASP 48 2HB ASP 48 4.327 -13.523 2.023 343 2HB ASP 48 1HB ASP 48 3.223 -14.125 3.313 344 H LEU 49 H LEU 49 3.422 -17.900 0.980 345 HA LEU 49 HA LEU 49 0.872 -18.436 2.168 346 1HB LEU 49 2HB LEU 49 2.849 -20.114 0.558 347 2HB LEU 49 1HB LEU 49 1.218 -20.680 1.037 348 HG LEU 49 HG LEU 49 1.663 -18.139 -0.624 349 1HD1 LEU 49 1HD1 LEU 49 1.186 -19.477 -2.635 350 2HD1 LEU 49 2HD1 LEU 49 1.071 -20.979 -1.642 351 3HD1 LEU 49 3HD1 LEU 49 2.653 -20.117 -1.798 352 1HD2 LEU 49 1HD2 LEU 49 -0.578 -18.298 0.487 353 2HD2 LEU 49 2HD2 LEU 49 -0.798 -19.954 -0.196 354 3HD2 LEU 49 3HD2 LEU 49 -0.719 -18.537 -1.299 355 H LYS 50 H LYS 50 4.080 -18.758 3.300 356 HA LYS 50 HA LYS 50 4.021 -21.278 4.330 357 1HB LYS 50 2HB LYS 50 5.646 -18.887 5.317 358 2HB LYS 50 1HB LYS 50 5.902 -20.586 5.807 359 1HG LYS 50 2HG LYS 50 7.397 -20.665 4.142 360 2HG LYS 50 1HG LYS 50 5.961 -20.985 3.138 361 1HD LYS 50 2HD LYS 50 7.083 -19.355 1.927 362 2HD LYS 50 1HD LYS 50 5.877 -18.363 2.804 363 1HE LYS 50 2HE LYS 50 7.656 -17.697 4.479 364 2HE LYS 50 1HE LYS 50 8.838 -18.777 3.630 365 1HZ LYS 50 1HZ LYS 50 9.140 -16.563 2.806 366 2HZ LYS 50 2HZ LYS 50 7.468 -16.391 2.530 367 3HZ LYS 50 3HZ LYS 50 8.396 -17.459 1.607 368 H TRP 51 H TRP 51 2.971 -18.324 5.992 369 HA TRP 51 HA TRP 51 2.797 -19.701 8.481 370 1HB TRP 51 2HB TRP 51 1.964 -17.582 9.362 371 2HB TRP 51 1HB TRP 51 3.474 -17.393 8.405 372 HD1 TRP 51 HD TRP 51 3.266 -15.892 6.108 373 HE1 TRP 51 1HE TRP 51 1.540 -14.144 5.422 374 HE3 TRP 51 3HE TRP 51 -0.408 -17.132 9.391 375 HZ2 TRP 51 2HZ TRP 51 -1.081 -13.387 6.211 376 HZ3 TRP 51 3HZ TRP 51 -2.489 -15.851 9.380 377 HH2 TRP 51 HH TRP 51 -2.825 -14.012 7.818 378 H TRP 52 H TRP 52 0.548 -19.111 5.943 379 HA TRP 52 HA TRP 52 -1.820 -19.100 7.331 380 1HB TRP 52 2HB TRP 52 -1.234 -20.140 4.518 381 2HB TRP 52 1HB TRP 52 -2.885 -19.884 5.163 382 HD1 TRP 52 HD TRP 52 0.295 -17.693 4.452 383 HE1 TRP 52 1HE TRP 52 -0.495 -15.414 3.714 384 HE3 TRP 52 3HE TRP 52 -4.679 -18.412 5.125 385 HZ2 TRP 52 2HZ TRP 52 -3.013 -14.028 3.518 386 HZ3 TRP 52 3HZ TRP 52 -6.223 -16.578 4.653 387 HH2 TRP 52 HH TRP 52 -5.405 -14.411 3.889 388 H GLU 53 H GLU 53 0.050 -21.922 6.341 389 HA GLU 53 HA GLU 53 -1.896 -23.570 7.814 390 1HB GLU 53 2HB GLU 53 -1.830 -23.754 5.200 391 2HB GLU 53 1HB GLU 53 -0.286 -24.598 5.453 392 1HG GLU 53 2HG GLU 53 -1.614 -26.183 7.070 393 2HG GLU 53 1HG GLU 53 -3.107 -25.400 6.457 394 H LEU 54 H LEU 54 0.282 -22.344 9.126 395 HA LEU 54 HA LEU 54 1.526 -24.787 10.006 396 1HB LEU 54 2HB LEU 54 2.983 -23.901 8.143 397 2HB LEU 54 1HB LEU 54 3.216 -22.412 9.094 398 HG LEU 54 HG LEU 54 4.258 -23.836 10.927 399 1HD1 LEU 54 1HD1 LEU 54 5.037 -26.151 10.350 400 2HD1 LEU 54 2HD1 LEU 54 4.072 -26.096 8.831 401 3HD1 LEU 54 3HD1 LEU 54 3.245 -26.058 10.434 402 1HD2 LEU 54 1HD2 LEU 54 5.635 -22.629 9.207 403 2HD2 LEU 54 2HD2 LEU 54 5.571 -24.089 8.147 404 3HD2 LEU 54 3HD2 LEU 54 6.416 -24.167 9.737 Start of MODEL 29 1 1H VAL 1 1HT VAL 1 5.839 17.078 8.483 2 2H VAL 1 2HT VAL 1 6.530 18.159 9.558 3 3H VAL 1 3HT VAL 1 5.136 18.580 8.736 4 HA VAL 1 HA VAL 1 5.320 16.359 10.672 5 HB VAL 1 HB VAL 1 3.949 17.694 12.198 6 1HG1 VAL 1 1HG1 VAL 1 6.626 19.029 11.438 7 2HG1 VAL 1 2HG1 VAL 1 6.431 17.541 12.445 8 3HG1 VAL 1 3HG1 VAL 1 5.767 19.110 13.012 9 1HG2 VAL 1 1HG2 VAL 1 4.536 20.066 10.304 10 2HG2 VAL 1 2HG2 VAL 1 3.696 20.112 11.886 11 3HG2 VAL 1 3HG2 VAL 1 2.924 19.280 10.491 12 H VAL 2 H VAL 2 3.221 15.389 11.316 13 HA VAL 2 HA VAL 2 1.353 15.436 9.101 14 HB VAL 2 HB VAL 2 1.467 13.673 11.571 15 1HG1 VAL 2 1HG1 VAL 2 -0.206 13.569 8.964 16 2HG1 VAL 2 2HG1 VAL 2 -0.843 13.838 10.630 17 3HG1 VAL 2 3HG1 VAL 2 -0.115 12.257 10.191 18 1HG2 VAL 2 1HG2 VAL 2 2.272 11.938 9.921 19 2HG2 VAL 2 2HG2 VAL 2 3.458 13.260 10.179 20 3HG2 VAL 2 3HG2 VAL 2 2.453 13.232 8.682 21 H SER 3 H SER 3 -0.188 17.023 9.237 22 HA SER 3 HA SER 3 -1.334 17.491 11.901 23 1HB SER 3 2HB SER 3 -2.193 19.595 11.183 24 2HB SER 3 1HB SER 3 -0.418 19.529 10.958 25 HG SER 3 HG SER 3 -1.193 20.388 9.160 26 H HIS 4 H HIS 4 -2.150 16.820 8.480 27 HA HIS 4 HA HIS 4 -4.450 15.355 9.533 28 1HB HIS 4 2HB HIS 4 -4.402 17.078 7.009 29 2HB HIS 4 1HB HIS 4 -5.629 15.806 7.297 30 HD1 HIS 4 1HD HIS 4 -5.035 17.517 10.442 31 HD2 HIS 4 2HD HIS 4 -7.464 17.997 7.071 32 HE1 HIS 4 1HE HIS 4 -6.877 19.122 11.095 33 HE2 HIS 4 2HE HIS 4 -8.369 19.318 9.059 34 H PHE 5 H PHE 5 -5.130 13.578 8.160 35 HA PHE 5 HA PHE 5 -2.800 12.334 6.927 36 1HB PHE 5 2HB PHE 5 -4.280 11.197 8.709 37 2HB PHE 5 1HB PHE 5 -5.576 11.134 7.483 38 HD1 PHE 5 1HD PHE 5 -2.474 9.729 8.676 39 HD2 PHE 5 2HD PHE 5 -5.150 9.815 5.381 40 HE1 PHE 5 1HE PHE 5 -1.441 7.691 7.787 41 HE2 PHE 5 2HE PHE 5 -4.100 7.813 4.467 42 HZ PHE 5 HZ PHE 5 -2.221 6.751 5.655 43 H ASN 6 H ASN 6 -2.664 11.947 4.731 44 HA ASN 6 HA ASN 6 -5.042 12.556 3.098 45 1HB ASN 6 2HB ASN 6 -2.132 13.228 2.428 46 2HB ASN 6 1HB ASN 6 -3.540 13.499 1.356 47 1HD2 ASN 6 1HD2 ASN 6 -4.841 14.606 4.210 48 2HD2 ASN 6 2HD2 ASN 6 -4.227 16.241 4.129 49 H ASP 7 H ASP 7 -5.347 11.157 1.325 50 HA ASP 7 HA ASP 7 -3.517 8.880 1.203 51 1HB ASP 7 2HB ASP 7 -6.364 9.351 0.159 52 2HB ASP 7 1HB ASP 7 -5.400 7.866 -0.188 53 H CYS 8 H CYS 8 -3.623 8.076 -1.362 54 HA CYS 8 HA CYS 8 -2.547 10.366 -2.785 55 1HB CYS 8 2HB CYS 8 -1.370 8.916 -4.150 56 2HB CYS 8 1HB CYS 8 -1.246 8.221 -2.520 57 HA PRO 9 HA PRO 9 -6.098 10.015 -5.495 58 1HB PRO 9 2HB PRO 9 -5.198 11.041 -7.892 59 2HB PRO 9 1HB PRO 9 -5.423 12.074 -6.432 60 1HG PRO 9 2HG PRO 9 -2.804 10.767 -7.377 61 2HG PRO 9 1HG PRO 9 -3.094 12.517 -6.986 62 1HD PRO 9 2HD PRO 9 -2.066 10.730 -5.134 63 2HD PRO 9 1HD PRO 9 -3.235 12.036 -4.620 64 H LEU 10 H LEU 10 -6.858 8.783 -7.369 65 HA LEU 10 HA LEU 10 -5.611 6.293 -7.547 66 1HB LEU 10 2HB LEU 10 -7.415 5.904 -9.347 67 2HB LEU 10 1HB LEU 10 -7.862 6.130 -7.641 68 HG LEU 10 HG LEU 10 -8.624 8.412 -8.054 69 1HD1 LEU 10 1HD1 LEU 10 -7.859 7.925 -11.011 70 2HD1 LEU 10 2HD1 LEU 10 -7.212 9.221 -9.929 71 3HD1 LEU 10 3HD1 LEU 10 -8.937 9.240 -10.429 72 1HD2 LEU 10 1HD2 LEU 10 -10.141 6.446 -8.308 73 2HD2 LEU 10 2HD2 LEU 10 -9.732 6.352 -10.060 74 3HD2 LEU 10 3HD2 LEU 10 -10.607 7.792 -9.426 75 H SER 11 H SER 11 -5.119 9.055 -9.383 76 HA SER 11 HA SER 11 -4.441 8.293 -11.848 77 1HB SER 11 2HB SER 11 -2.936 10.331 -10.114 78 2HB SER 11 1HB SER 11 -3.081 10.364 -11.912 79 HG SER 11 HG SER 11 -4.610 11.713 -10.697 80 H HIS 12 H HIS 12 -2.336 8.266 -12.918 81 HA HIS 12 HA HIS 12 -1.707 6.112 -13.346 82 1HB HIS 12 2HB HIS 12 0.715 6.496 -13.847 83 2HB HIS 12 1HB HIS 12 -0.367 7.825 -14.321 84 HD1 HIS 12 1HD HIS 12 0.117 10.143 -13.352 85 HD2 HIS 12 2HD HIS 12 2.347 7.120 -11.467 86 HE1 HIS 12 1HE HIS 12 1.590 11.261 -11.712 87 HE2 HIS 12 2HE HIS 12 3.052 9.461 -10.706 88 H ASP 13 H ASP 13 -2.403 4.882 -11.433 89 HA ASP 13 HA ASP 13 -0.223 3.796 -9.923 90 1HB ASP 13 2HB ASP 13 -2.540 4.299 -8.977 91 2HB ASP 13 1HB ASP 13 -3.182 2.956 -9.989 92 H GLY 14 H GLY 14 -0.026 1.334 -9.889 93 1HA GLY 14 2HA GLY 14 -0.836 -0.225 -11.973 94 2HA GLY 14 1HA GLY 14 0.652 0.602 -12.555 95 H TYR 15 H TYR 15 1.896 0.536 -9.842 96 HA TYR 15 HA TYR 15 2.885 -2.171 -10.087 97 1HB TYR 15 2HB TYR 15 4.335 -0.010 -9.977 98 2HB TYR 15 1HB TYR 15 3.937 0.039 -8.230 99 HD1 TYR 15 1HD TYR 15 5.540 -1.830 -10.948 100 HD2 TYR 15 2HD TYR 15 4.835 -1.697 -6.767 101 HE1 TYR 15 1HE TYR 15 7.302 -3.504 -10.604 102 HE2 TYR 15 2HE TYR 15 6.569 -3.392 -6.415 103 HH TYR 15 HH TYR 15 7.899 -4.948 -7.482 104 H CYS 16 H CYS 16 1.075 -0.146 -7.793 105 HA CYS 16 HA CYS 16 1.394 -2.139 -5.744 106 1HB CYS 16 2HB CYS 16 1.347 0.465 -5.571 107 2HB CYS 16 1HB CYS 16 -0.423 0.303 -5.613 108 H LEU 17 H LEU 17 0.300 -4.000 -6.046 109 HA LEU 17 HA LEU 17 -2.264 -3.970 -7.347 110 1HB LEU 17 2HB LEU 17 -0.173 -5.998 -6.658 111 2HB LEU 17 1HB LEU 17 -1.849 -6.575 -6.839 112 HG LEU 17 HG LEU 17 -2.021 -5.620 -9.098 113 1HD1 LEU 17 1HD1 LEU 17 -0.382 -3.758 -9.038 114 2HD1 LEU 17 2HD1 LEU 17 0.045 -4.927 -10.340 115 3HD1 LEU 17 3HD1 LEU 17 0.965 -4.931 -8.789 116 1HD2 LEU 17 1HD2 LEU 17 -1.334 -7.984 -8.703 117 2HD2 LEU 17 2HD2 LEU 17 0.402 -7.472 -8.651 118 3HD2 LEU 17 3HD2 LEU 17 -0.542 -7.314 -10.182 119 H HIS 18 H HIS 18 -3.969 -5.298 -6.670 120 HA HIS 18 HA HIS 18 -5.704 -5.595 -5.395 121 1HB HIS 18 2HB HIS 18 -4.512 -7.673 -5.127 122 2HB HIS 18 1HB HIS 18 -3.574 -6.989 -3.765 123 HD1 HIS 18 1HD HIS 18 -7.374 -7.350 -4.373 124 HD2 HIS 18 2HD HIS 18 -4.431 -8.108 -1.480 125 HE1 HIS 18 1HE HIS 18 -8.534 -8.418 -2.419 126 HE2 HIS 18 2HE HIS 18 -6.734 -8.771 -0.648 127 H ASP 19 H ASP 19 -5.530 -3.154 -5.052 128 HA ASP 19 HA ASP 19 -6.277 -1.533 -3.880 129 1HB ASP 19 2HB ASP 19 -7.970 -3.428 -3.432 130 2HB ASP 19 1HB ASP 19 -7.275 -3.517 -1.776 131 H GLY 20 H GLY 20 -3.738 -1.530 -3.653 132 1HA GLY 20 2HA GLY 20 -2.691 -1.917 -1.074 133 2HA GLY 20 1HA GLY 20 -1.930 -1.078 -2.465 134 H VAL 21 H VAL 21 -1.588 -0.414 0.301 135 HA VAL 21 HA VAL 21 -3.391 1.719 0.899 136 HB VAL 21 HB VAL 21 -0.985 0.762 2.468 137 1HG1 VAL 21 1HG1 VAL 21 -3.545 2.355 3.195 138 2HG1 VAL 21 2HG1 VAL 21 -1.868 3.024 3.156 139 3HG1 VAL 21 3HG1 VAL 21 -2.314 1.767 4.362 140 1HG2 VAL 21 1HG2 VAL 21 -3.935 -0.152 2.500 141 2HG2 VAL 21 2HG2 VAL 21 -2.716 -0.541 3.760 142 3HG2 VAL 21 3HG2 VAL 21 -2.499 -1.170 2.098 143 H CYS 22 H CYS 22 -2.941 3.121 -0.773 144 HA CYS 22 HA CYS 22 -0.276 4.189 -1.110 145 1HB CYS 22 2HB CYS 22 -1.628 3.331 -2.995 146 2HB CYS 22 1HB CYS 22 -2.915 4.487 -2.614 147 H MET 23 H MET 23 0.409 6.020 -0.155 148 HA MET 23 HA MET 23 -1.590 8.100 0.331 149 1HB MET 23 2HB MET 23 -0.639 8.646 2.477 150 2HB MET 23 1HB MET 23 -1.237 6.967 2.438 151 1HG MET 23 2HG MET 23 1.116 6.138 2.117 152 2HG MET 23 1HG MET 23 1.712 7.818 2.222 153 1HE MET 23 1HE MET 23 3.345 7.230 3.997 154 2HE MET 23 2HE MET 23 2.831 5.511 3.963 155 3HE MET 23 3HE MET 23 2.995 6.366 5.533 156 H TYR 24 H TYR 24 -1.063 10.166 0.083 157 HA TYR 24 HA TYR 24 1.719 10.886 -0.329 158 1HB TYR 24 2HB TYR 24 0.915 10.941 -2.650 159 2HB TYR 24 1HB TYR 24 -0.673 11.607 -2.112 160 HD1 TYR 24 1HD TYR 24 -0.840 13.338 -3.433 161 HD2 TYR 24 2HD TYR 24 2.702 12.970 -1.095 162 HE1 TYR 24 1HE TYR 24 -0.246 15.605 -3.993 163 HE2 TYR 24 2HE TYR 24 3.343 15.227 -1.710 164 HH TYR 24 HH TYR 24 1.156 17.435 -3.053 165 H ILE 25 H ILE 25 2.036 12.028 1.599 166 HA ILE 25 HA ILE 25 -0.128 13.793 2.447 167 HB ILE 25 HB ILE 25 0.286 12.300 4.102 168 1HG1 ILE 25 2HG1 ILE 25 2.179 14.581 4.774 169 2HG1 ILE 25 1HG1 ILE 25 0.410 14.845 4.547 170 1HG2 ILE 25 1HG2 ILE 25 2.275 11.115 3.335 171 2HG2 ILE 25 2HG2 ILE 25 2.609 11.771 4.961 172 3HG2 ILE 25 3HG2 ILE 25 3.298 12.589 3.516 173 1HD1 ILE 25 1HD1 ILE 25 -0.126 13.188 6.319 174 2HD1 ILE 25 2HD1 ILE 25 0.893 14.524 6.970 175 3HD1 ILE 25 3HD1 ILE 25 1.628 12.906 6.622 176 H GLU 26 H GLU 26 0.054 15.711 1.577 177 HA GLU 26 HA GLU 26 2.330 16.508 0.225 178 1HB GLU 26 2HB GLU 26 0.025 17.027 -0.374 179 2HB GLU 26 1HB GLU 26 -0.128 18.141 1.016 180 1HG GLU 26 2HG GLU 26 1.428 19.724 0.039 181 2HG GLU 26 1HG GLU 26 2.116 18.489 -1.062 182 H ALA 27 H ALA 27 1.368 17.197 3.533 183 HA ALA 27 HA ALA 27 3.142 19.223 4.107 184 1HB ALA 27 1HB ALA 27 2.942 18.345 6.455 185 2HB ALA 27 2HB ALA 27 2.251 16.811 5.823 186 3HB ALA 27 3HB ALA 27 1.350 18.357 5.626 187 H LEU 28 H LEU 28 3.748 15.721 4.005 188 HA LEU 28 HA LEU 28 6.487 16.169 4.851 189 1HB LEU 28 2HB LEU 28 5.134 13.547 4.081 190 2HB LEU 28 1HB LEU 28 6.720 13.746 4.880 191 HG LEU 28 HG LEU 28 3.956 14.382 6.051 192 1HD1 LEU 28 1HD1 LEU 28 6.115 12.349 6.888 193 2HD1 LEU 28 2HD1 LEU 28 4.619 11.950 5.957 194 3HD1 LEU 28 3HD1 LEU 28 4.496 12.570 7.641 195 1HD2 LEU 28 1HD2 LEU 28 5.189 14.861 8.195 196 2HD2 LEU 28 2HD2 LEU 28 5.461 16.102 6.910 197 3HD2 LEU 28 3HD2 LEU 28 6.742 14.865 7.276 198 H ASP 29 H ASP 29 4.671 15.572 1.972 199 HA ASP 29 HA ASP 29 5.065 15.926 -0.086 200 1HB ASP 29 2HB ASP 29 6.454 17.777 0.781 201 2HB ASP 29 1HB ASP 29 7.901 16.728 0.685 202 H LYS 30 H LYS 30 6.056 13.365 1.435 203 HA LYS 30 HA LYS 30 7.064 12.057 -0.995 204 1HB LYS 30 2HB LYS 30 7.527 11.231 1.927 205 2HB LYS 30 1HB LYS 30 8.180 10.404 0.485 206 1HG LYS 30 2HG LYS 30 8.983 13.138 1.597 207 2HG LYS 30 1HG LYS 30 9.934 11.625 1.503 208 1HD LYS 30 2HD LYS 30 9.614 11.787 -1.084 209 2HD LYS 30 1HD LYS 30 9.076 13.474 -0.784 210 1HE LYS 30 2HE LYS 30 11.835 12.250 -0.107 211 2HE LYS 30 1HE LYS 30 11.466 13.400 -1.451 212 1HZ LYS 30 1HZ LYS 30 12.431 14.503 0.421 213 2HZ LYS 30 2HZ LYS 30 11.270 13.925 1.475 214 3HZ LYS 30 3HZ LYS 30 10.851 15.060 0.277 215 H TYR 31 H TYR 31 6.659 9.695 -1.057 216 HA TYR 31 HA TYR 31 3.801 9.323 -0.503 217 1HB TYR 31 2HB TYR 31 5.264 7.950 -2.789 218 2HB TYR 31 1HB TYR 31 3.521 8.335 -2.632 219 HD1 TYR 31 1HD TYR 31 5.890 8.808 -4.717 220 HD2 TYR 31 2HD TYR 31 3.661 11.254 -2.082 221 HE1 TYR 31 1HE TYR 31 6.342 10.756 -6.159 222 HE2 TYR 31 2HE TYR 31 4.114 13.213 -3.499 223 HH TYR 31 HH TYR 31 5.503 13.995 -5.065 224 H ALA 32 H ALA 32 3.104 7.028 -0.413 225 HA ALA 32 HA ALA 32 5.088 5.117 -0.877 226 1HB ALA 32 1HB ALA 32 4.915 3.847 1.316 227 2HB ALA 32 2HB ALA 32 3.877 5.173 1.971 228 3HB ALA 32 3HB ALA 32 5.602 5.483 1.583 229 H CYS 33 H CYS 33 4.189 3.001 -1.249 230 HA CYS 33 HA CYS 33 1.337 2.771 -0.656 231 1HB CYS 33 2HB CYS 33 1.731 3.027 -3.158 232 2HB CYS 33 1HB CYS 33 2.616 1.482 -3.110 233 H ASN 34 H ASN 34 1.060 1.256 0.884 234 HA ASN 34 HA ASN 34 3.162 -0.762 1.115 235 1HB ASN 34 2HB ASN 34 2.293 0.924 3.010 236 2HB ASN 34 1HB ASN 34 1.049 -0.333 3.265 237 1HD2 ASN 34 1HD2 ASN 34 1.742 -1.674 4.989 238 2HD2 ASN 34 2HD2 ASN 34 3.400 -2.058 5.321 239 H CYS 35 H CYS 35 2.709 -2.952 1.407 240 HA CYS 35 HA CYS 35 0.116 -3.800 0.356 241 1HB CYS 35 2HB CYS 35 2.428 -4.461 -0.711 242 2HB CYS 35 1HB CYS 35 2.595 -5.554 0.690 243 H VAL 36 H VAL 36 -0.550 -6.013 1.336 244 HA VAL 36 HA VAL 36 -0.768 -5.539 4.167 245 HB VAL 36 HB VAL 36 -2.082 -7.592 2.385 246 1HG1 VAL 36 1HG1 VAL 36 -3.890 -7.509 4.156 247 2HG1 VAL 36 2HG1 VAL 36 -2.785 -6.572 5.217 248 3HG1 VAL 36 3HG1 VAL 36 -2.380 -8.272 4.713 249 1HG2 VAL 36 1HG2 VAL 36 -2.959 -4.748 3.233 250 2HG2 VAL 36 2HG2 VAL 36 -4.019 -5.968 2.442 251 3HG2 VAL 36 3HG2 VAL 36 -2.624 -5.310 1.546 252 H VAL 37 H VAL 37 -0.651 -7.422 5.663 253 HA VAL 37 HA VAL 37 1.902 -8.629 5.414 254 HB VAL 37 HB VAL 37 1.193 -7.748 7.497 255 1HG1 VAL 37 1HG1 VAL 37 -1.295 -8.133 7.313 256 2HG1 VAL 37 2HG1 VAL 37 -0.606 -8.775 8.839 257 3HG1 VAL 37 3HG1 VAL 37 -1.022 -9.906 7.511 258 1HG2 VAL 37 1HG2 VAL 37 1.390 -10.823 7.685 259 2HG2 VAL 37 2HG2 VAL 37 1.807 -9.611 8.944 260 3HG2 VAL 37 3HG2 VAL 37 2.787 -9.710 7.437 261 H GLY 38 H GLY 38 2.484 -10.630 4.899 262 1HA GLY 38 2HA GLY 38 2.290 -12.818 4.498 263 2HA GLY 38 1HA GLY 38 0.506 -12.717 4.675 264 H TYR 39 H TYR 39 2.009 -10.432 2.570 265 HA TYR 39 HA TYR 39 1.344 -12.031 0.206 266 1HB TYR 39 2HB TYR 39 0.842 -9.037 0.728 267 2HB TYR 39 1HB TYR 39 0.703 -9.824 -0.876 268 HD1 TYR 39 1HD TYR 39 -0.808 -9.577 2.473 269 HD2 TYR 39 2HD TYR 39 -1.059 -11.336 -1.381 270 HE1 TYR 39 1HE TYR 39 -3.123 -10.188 2.918 271 HE2 TYR 39 2HE TYR 39 -3.375 -11.971 -0.944 272 HH TYR 39 HH TYR 39 -5.054 -12.010 0.562 273 H ILE 40 H ILE 40 2.919 -12.125 -1.263 274 HA ILE 40 HA ILE 40 5.312 -10.509 -0.880 275 HB ILE 40 HB ILE 40 6.742 -12.504 -1.111 276 1HG1 ILE 40 2HG1 ILE 40 4.096 -14.016 -0.660 277 2HG1 ILE 40 1HG1 ILE 40 5.111 -14.055 -2.149 278 1HG2 ILE 40 1HG2 ILE 40 6.215 -11.346 1.058 279 2HG2 ILE 40 2HG2 ILE 40 6.613 -13.087 1.235 280 3HG2 ILE 40 3HG2 ILE 40 4.901 -12.545 1.346 281 1HD1 ILE 40 1HD1 ILE 40 5.875 -15.141 0.635 282 2HD1 ILE 40 2HD1 ILE 40 7.022 -15.014 -0.739 283 3HD1 ILE 40 3HD1 ILE 40 5.564 -16.078 -0.853 284 H GLY 41 H GLY 41 6.943 -11.416 -2.789 285 1HA GLY 41 2HA GLY 41 7.111 -11.956 -4.994 286 2HA GLY 41 1HA GLY 41 5.365 -11.618 -5.253 287 H GLU 42 H GLU 42 7.116 -10.575 -7.048 288 HA GLU 42 HA GLU 42 8.547 -8.378 -6.387 289 1HB GLU 42 2HB GLU 42 8.781 -9.713 -8.426 290 2HB GLU 42 1HB GLU 42 7.196 -9.142 -9.026 291 1HG GLU 42 2HG GLU 42 8.067 -6.814 -9.218 292 2HG GLU 42 1HG GLU 42 9.626 -7.314 -8.464 293 H ARG 43 H ARG 43 5.285 -8.300 -7.838 294 HA ARG 43 HA ARG 43 4.969 -5.595 -6.706 295 1HB ARG 43 2HB ARG 43 3.236 -5.275 -8.467 296 2HB ARG 43 1HB ARG 43 4.897 -5.463 -9.080 297 1HG ARG 43 2HG ARG 43 4.474 -7.822 -9.720 298 2HG ARG 43 1HG ARG 43 2.800 -7.715 -9.062 299 1HD ARG 43 2HD ARG 43 2.253 -5.938 -10.735 300 2HD ARG 43 1HD ARG 43 3.973 -5.941 -11.315 301 HE ARG 43 HE ARG 43 2.978 -8.638 -11.479 302 1HH1 ARG 43 1HH1 ARG 43 2.497 -5.431 -13.011 303 2HH1 ARG 43 2HH1 ARG 43 1.826 -6.101 -14.452 304 1HH2 ARG 43 1HH2 ARG 43 2.363 -9.482 -13.585 305 2HH2 ARG 43 2HH2 ARG 43 1.999 -8.360 -14.866 306 H CYS 44 H CYS 44 4.768 -7.865 -5.115 307 HA CYS 44 HA CYS 44 3.539 -8.815 -3.653 308 1HB CYS 44 2HB CYS 44 3.396 -6.260 -3.253 309 2HB CYS 44 1HB CYS 44 1.677 -6.426 -3.684 310 H GLN 45 H GLN 45 2.788 -9.939 -6.049 311 HA GLN 45 HA GLN 45 -0.102 -10.307 -5.720 312 1HB GLN 45 2HB GLN 45 -0.085 -11.313 -7.933 313 2HB GLN 45 1HB GLN 45 0.402 -9.589 -7.871 314 1HG GLN 45 2HG GLN 45 2.841 -10.332 -8.095 315 2HG GLN 45 1HG GLN 45 2.248 -12.013 -8.334 316 1HE2 GLN 45 1HE2 GLN 45 -0.202 -11.060 -9.851 317 2HE2 GLN 45 2HE2 GLN 45 0.378 -10.460 -11.383 318 H TYR 46 H TYR 46 2.481 -11.906 -4.401 319 HA TYR 46 HA TYR 46 1.156 -14.507 -4.827 320 1HB TYR 46 2HB TYR 46 3.972 -13.847 -3.856 321 2HB TYR 46 1HB TYR 46 3.292 -15.507 -4.035 322 HD1 TYR 46 1HD TYR 46 2.052 -14.227 -6.991 323 HD2 TYR 46 2HD TYR 46 5.751 -14.928 -4.990 324 HE1 TYR 46 1HE TYR 46 3.163 -14.464 -9.119 325 HE2 TYR 46 2HE TYR 46 6.868 -15.149 -7.126 326 HH TYR 46 HH TYR 46 6.628 -15.193 -9.368 327 H ARG 47 H ARG 47 1.141 -15.914 -2.846 328 HA ARG 47 HA ARG 47 0.725 -14.246 -0.462 329 1HB ARG 47 2HB ARG 47 -1.081 -15.844 0.161 330 2HB ARG 47 1HB ARG 47 -1.405 -14.797 -1.244 331 1HG ARG 47 2HG ARG 47 -0.831 -16.679 -2.803 332 2HG ARG 47 1HG ARG 47 -0.609 -17.760 -1.393 333 1HD ARG 47 2HD ARG 47 -3.032 -17.440 -0.779 334 2HD ARG 47 1HD ARG 47 -3.201 -16.244 -2.132 335 HE ARG 47 HE ARG 47 -2.261 -19.083 -2.664 336 1HH1 ARG 47 1HH1 ARG 47 -5.043 -16.872 -2.900 337 2HH1 ARG 47 2HH1 ARG 47 -5.691 -17.687 -4.275 338 1HH2 ARG 47 1HH2 ARG 47 -2.976 -19.893 -4.712 339 2HH2 ARG 47 2HH2 ARG 47 -4.538 -19.400 -5.275 340 H ASP 48 H ASP 48 1.450 -14.916 1.465 341 HA ASP 48 HA ASP 48 3.488 -16.969 1.342 342 1HB ASP 48 2HB ASP 48 3.916 -14.565 2.039 343 2HB ASP 48 1HB ASP 48 2.863 -14.841 3.469 344 H LEU 49 H LEU 49 2.825 -19.005 1.898 345 HA LEU 49 HA LEU 49 0.595 -19.290 3.714 346 1HB LEU 49 2HB LEU 49 2.016 -21.019 1.716 347 2HB LEU 49 1HB LEU 49 1.184 -21.835 3.062 348 HG LEU 49 HG LEU 49 -0.159 -21.694 1.035 349 1HD1 LEU 49 1HD1 LEU 49 -1.186 -21.970 3.292 350 2HD1 LEU 49 2HD1 LEU 49 -2.273 -21.142 2.131 351 3HD1 LEU 49 3HD1 LEU 49 -1.416 -20.188 3.410 352 1HD2 LEU 49 1HD2 LEU 49 -1.275 -19.646 0.292 353 2HD2 LEU 49 2HD2 LEU 49 0.507 -19.434 0.186 354 3HD2 LEU 49 3HD2 LEU 49 -0.412 -18.661 1.532 355 H LYS 50 H LYS 50 3.926 -19.009 4.210 356 HA LYS 50 HA LYS 50 4.156 -21.034 6.184 357 1HB LYS 50 2HB LYS 50 5.866 -18.659 5.378 358 2HB LYS 50 1HB LYS 50 6.199 -19.560 6.891 359 1HG LYS 50 2HG LYS 50 7.614 -20.515 5.367 360 2HG LYS 50 1HG LYS 50 6.287 -21.705 5.554 361 1HD LYS 50 2HD LYS 50 5.332 -21.002 3.351 362 2HD LYS 50 1HD LYS 50 6.461 -19.612 3.307 363 1HE LYS 50 2HE LYS 50 7.403 -21.208 1.798 364 2HE LYS 50 1HE LYS 50 8.416 -21.245 3.302 365 1HZ LYS 50 1HZ LYS 50 7.128 -23.250 3.980 366 2HZ LYS 50 2HZ LYS 50 7.963 -23.432 2.527 367 3HZ LYS 50 3HZ LYS 50 6.278 -23.168 2.527 368 H TRP 51 H TRP 51 2.833 -17.834 6.186 369 HA TRP 51 HA TRP 51 2.887 -17.494 9.013 370 1HB TRP 51 2HB TRP 51 2.891 -15.531 7.758 371 2HB TRP 51 1HB TRP 51 1.750 -16.182 6.535 372 HD1 TRP 51 HD TRP 51 1.374 -15.346 10.340 373 HE1 TRP 51 1HE TRP 51 -0.873 -13.996 10.577 374 HE3 TRP 51 3HE TRP 51 0.094 -15.033 5.460 375 HZ2 TRP 51 2HZ TRP 51 -3.019 -13.316 8.916 376 HZ3 TRP 51 3HZ TRP 51 -1.998 -13.910 4.840 377 HH2 TRP 51 HH TRP 51 -3.550 -13.121 6.532 378 H TRP 52 H TRP 52 0.717 -19.060 6.726 379 HA TRP 52 HA TRP 52 -1.461 -19.176 8.574 380 1HB TRP 52 2HB TRP 52 -0.904 -20.599 5.921 381 2HB TRP 52 1HB TRP 52 -2.411 -20.828 6.868 382 HD1 TRP 52 HD TRP 52 -0.525 -17.818 5.168 383 HE1 TRP 52 1HE TRP 52 -2.282 -16.029 4.667 384 HE3 TRP 52 3HE TRP 52 -4.630 -20.171 7.023 385 HZ2 TRP 52 2HZ TRP 52 -5.085 -15.745 4.824 386 HZ3 TRP 52 3HZ TRP 52 -6.797 -19.058 6.864 387 HH2 TRP 52 HH TRP 52 -7.027 -16.890 5.786 388 H GLU 53 H GLU 53 0.835 -21.581 7.296 389 HA GLU 53 HA GLU 53 0.102 -23.377 9.493 390 1HB GLU 53 2HB GLU 53 1.649 -24.006 6.938 391 2HB GLU 53 1HB GLU 53 1.091 -25.156 8.195 392 1HG GLU 53 2HG GLU 53 -1.313 -24.406 7.689 393 2HG GLU 53 1HG GLU 53 -0.659 -23.463 6.306 394 H LEU 54 H LEU 54 1.338 -21.617 10.758 395 HA LEU 54 HA LEU 54 4.209 -22.095 10.749 396 1HB LEU 54 2HB LEU 54 2.998 -19.796 10.772 397 2HB LEU 54 1HB LEU 54 2.661 -20.123 12.490 398 HG LEU 54 HG LEU 54 5.460 -20.126 11.204 399 1HD1 LEU 54 1HD1 LEU 54 5.724 -17.817 12.090 400 2HD1 LEU 54 2HD1 LEU 54 4.011 -17.837 12.677 401 3HD1 LEU 54 3HD1 LEU 54 4.369 -17.916 10.915 402 1HD2 LEU 54 1HD2 LEU 54 5.446 -21.324 13.387 403 2HD2 LEU 54 2HD2 LEU 54 4.602 -19.937 14.169 404 3HD2 LEU 54 3HD2 LEU 54 6.292 -19.746 13.549 Start of MODEL 30 1 1H VAL 1 1HT VAL 1 7.382 17.185 5.963 2 2H VAL 1 2HT VAL 1 8.824 17.977 6.337 3 3H VAL 1 3HT VAL 1 7.693 18.712 5.333 4 HA VAL 1 HA VAL 1 7.838 18.483 8.198 5 HB VAL 1 HB VAL 1 6.563 20.516 8.275 6 1HG1 VAL 1 1HG1 VAL 1 8.712 20.636 6.061 7 2HG1 VAL 1 2HG1 VAL 1 9.041 20.561 7.836 8 3HG1 VAL 1 3HG1 VAL 1 8.163 21.961 7.139 9 1HG2 VAL 1 1HG2 VAL 1 6.232 20.234 5.211 10 2HG2 VAL 1 2HG2 VAL 1 5.818 21.664 6.211 11 3HG2 VAL 1 3HG2 VAL 1 4.919 20.136 6.452 12 H VAL 2 H VAL 2 5.895 18.570 9.681 13 HA VAL 2 HA VAL 2 4.407 16.229 8.957 14 HB VAL 2 HB VAL 2 4.661 17.665 11.604 15 1HG1 VAL 2 1HG1 VAL 2 2.608 16.235 11.495 16 2HG1 VAL 2 2HG1 VAL 2 3.869 15.419 12.474 17 3HG1 VAL 2 3HG1 VAL 2 3.570 14.879 10.790 18 1HG2 VAL 2 1HG2 VAL 2 6.886 16.852 10.859 19 2HG2 VAL 2 2HG2 VAL 2 6.175 15.241 10.437 20 3HG2 VAL 2 3HG2 VAL 2 6.236 15.792 12.149 21 H SER 3 H SER 3 2.615 16.653 7.820 22 HA SER 3 HA SER 3 0.572 18.284 9.098 23 1HB SER 3 2HB SER 3 1.139 18.203 6.092 24 2HB SER 3 1HB SER 3 -0.334 18.915 6.828 25 HG SER 3 HG SER 3 1.501 20.371 6.342 26 H HIS 4 H HIS 4 -1.653 17.548 8.009 27 HA HIS 4 HA HIS 4 -1.600 14.690 8.432 28 1HB HIS 4 2HB HIS 4 -3.917 16.619 7.921 29 2HB HIS 4 1HB HIS 4 -4.093 14.901 8.405 30 HD1 HIS 4 1HD HIS 4 -5.103 17.422 10.005 31 HD2 HIS 4 2HD HIS 4 -1.647 15.218 10.886 32 HE1 HIS 4 1HE HIS 4 -4.630 17.745 12.472 33 HE2 HIS 4 2HE HIS 4 -2.559 16.440 12.970 34 H PHE 5 H PHE 5 -2.565 13.167 7.165 35 HA PHE 5 HA PHE 5 -2.403 13.701 4.295 36 1HB PHE 5 2HB PHE 5 -1.306 11.447 4.061 37 2HB PHE 5 1HB PHE 5 -0.338 12.705 4.883 38 HD1 PHE 5 1HD PHE 5 -2.342 9.669 5.408 39 HD2 PHE 5 2HD PHE 5 0.228 12.544 7.146 40 HE1 PHE 5 1HE PHE 5 -2.081 8.221 7.385 41 HE2 PHE 5 2HE PHE 5 0.528 11.097 9.122 42 HZ PHE 5 HZ PHE 5 -0.633 8.935 9.236 43 H ASN 6 H ASN 6 -3.415 12.014 2.923 44 HA ASN 6 HA ASN 6 -5.728 10.781 4.223 45 1HB ASN 6 2HB ASN 6 -5.670 12.631 1.780 46 2HB ASN 6 1HB ASN 6 -6.994 11.426 2.002 47 1HD2 ASN 6 1HD2 ASN 6 -8.144 11.441 4.135 48 2HD2 ASN 6 2HD2 ASN 6 -8.413 12.977 4.898 49 H ASP 7 H ASP 7 -6.815 9.212 2.863 50 HA ASP 7 HA ASP 7 -4.866 7.342 1.930 51 1HB ASP 7 2HB ASP 7 -7.934 7.206 2.080 52 2HB ASP 7 1HB ASP 7 -6.834 5.802 1.832 53 H CYS 8 H CYS 8 -4.759 6.408 -0.132 54 HA CYS 8 HA CYS 8 -5.326 7.953 -2.316 55 1HB CYS 8 2HB CYS 8 -4.581 5.076 -1.766 56 2HB CYS 8 1HB CYS 8 -5.118 5.430 -3.420 57 HA PRO 9 HA PRO 9 -9.438 6.593 -3.371 58 1HB PRO 9 2HB PRO 9 -9.505 6.947 -6.108 59 2HB PRO 9 1HB PRO 9 -9.398 8.341 -4.972 60 1HG PRO 9 2HG PRO 9 -7.068 6.944 -6.413 61 2HG PRO 9 1HG PRO 9 -7.459 8.718 -6.388 62 1HD PRO 9 2HD PRO 9 -5.650 7.596 -4.614 63 2HD PRO 9 1HD PRO 9 -6.777 8.932 -4.089 64 H LEU 10 H LEU 10 -10.529 4.995 -4.910 65 HA LEU 10 HA LEU 10 -9.498 2.529 -4.364 66 1HB LEU 10 2HB LEU 10 -11.858 3.117 -4.674 67 2HB LEU 10 1HB LEU 10 -11.630 3.322 -6.424 68 HG LEU 10 HG LEU 10 -10.881 0.666 -5.125 69 1HD1 LEU 10 1HD1 LEU 10 -13.091 1.229 -4.115 70 2HD1 LEU 10 2HD1 LEU 10 -13.230 -0.137 -5.286 71 3HD1 LEU 10 3HD1 LEU 10 -13.774 1.512 -5.760 72 1HD2 LEU 10 1HD2 LEU 10 -12.240 1.385 -7.813 73 2HD2 LEU 10 2HD2 LEU 10 -11.811 -0.274 -7.266 74 3HD2 LEU 10 3HD2 LEU 10 -10.511 0.915 -7.607 75 H SER 11 H SER 11 -9.406 4.232 -7.476 76 HA SER 11 HA SER 11 -7.683 2.088 -8.532 77 1HB SER 11 2HB SER 11 -9.029 4.347 -10.094 78 2HB SER 11 1HB SER 11 -8.227 2.882 -10.755 79 HG SER 11 HG SER 11 -9.870 1.665 -9.783 80 H HIS 12 H HIS 12 -5.551 2.572 -8.033 81 HA HIS 12 HA HIS 12 -4.575 5.093 -9.097 82 1HB HIS 12 2HB HIS 12 -5.295 5.448 -6.650 83 2HB HIS 12 1HB HIS 12 -4.015 4.298 -6.191 84 HD1 HIS 12 1HD HIS 12 -4.449 7.707 -7.928 85 HD2 HIS 12 2HD HIS 12 -1.510 5.507 -5.880 86 HE1 HIS 12 1HE HIS 12 -2.540 9.263 -7.499 87 HE2 HIS 12 2HE HIS 12 -0.787 7.939 -6.300 88 H ASP 13 H ASP 13 -4.265 2.452 -10.051 89 HA ASP 13 HA ASP 13 -1.926 1.265 -8.962 90 1HB ASP 13 2HB ASP 13 -3.962 0.073 -9.798 91 2HB ASP 13 1HB ASP 13 -3.637 0.676 -11.453 92 H GLY 14 H GLY 14 0.159 1.300 -9.757 93 1HA GLY 14 2HA GLY 14 0.780 1.988 -12.379 94 2HA GLY 14 1HA GLY 14 0.945 3.455 -11.343 95 H TYR 15 H TYR 15 2.516 3.456 -9.647 96 HA TYR 15 HA TYR 15 4.740 1.707 -10.170 97 1HB TYR 15 2HB TYR 15 5.017 4.194 -9.642 98 2HB TYR 15 1HB TYR 15 4.488 3.836 -7.961 99 HD1 TYR 15 1HD TYR 15 6.089 2.984 -6.448 100 HD2 TYR 15 2HD TYR 15 6.883 2.795 -10.617 101 HE1 TYR 15 1HE TYR 15 8.297 2.063 -5.978 102 HE2 TYR 15 2HE TYR 15 9.090 1.848 -10.156 103 HH TYR 15 HH TYR 15 10.255 1.318 -6.849 104 H CYS 16 H CYS 16 2.511 2.379 -7.432 105 HA CYS 16 HA CYS 16 3.390 -0.105 -6.192 106 1HB CYS 16 2HB CYS 16 1.225 1.848 -5.291 107 2HB CYS 16 1HB CYS 16 1.882 0.459 -4.361 108 H LEU 17 H LEU 17 2.291 -2.000 -6.251 109 HA LEU 17 HA LEU 17 -0.117 -2.091 -7.906 110 1HB LEU 17 2HB LEU 17 0.943 -3.697 -9.445 111 2HB LEU 17 1HB LEU 17 1.692 -2.087 -9.459 112 HG LEU 17 HG LEU 17 3.345 -3.267 -7.634 113 1HD1 LEU 17 1HD1 LEU 17 2.525 -5.521 -9.578 114 2HD1 LEU 17 2HD1 LEU 17 2.252 -5.511 -7.794 115 3HD1 LEU 17 3HD1 LEU 17 3.935 -5.552 -8.452 116 1HD2 LEU 17 1HD2 LEU 17 3.606 -3.400 -10.701 117 2HD2 LEU 17 2HD2 LEU 17 4.957 -3.531 -9.515 118 3HD2 LEU 17 3HD2 LEU 17 4.032 -1.999 -9.648 119 H HIS 18 H HIS 18 -1.068 -4.241 -7.966 120 HA HIS 18 HA HIS 18 -2.165 -5.703 -6.857 121 1HB HIS 18 2HB HIS 18 0.022 -6.887 -6.978 122 2HB HIS 18 1HB HIS 18 0.360 -6.383 -5.300 123 HD1 HIS 18 1HD HIS 18 -0.386 -9.272 -6.852 124 HD2 HIS 18 2HD HIS 18 -2.558 -7.295 -3.865 125 HE1 HIS 18 1HE HIS 18 -1.636 -11.038 -5.570 126 HE2 HIS 18 2HE HIS 18 -3.019 -9.780 -3.838 127 H ASP 19 H ASP 19 -2.918 -3.429 -6.032 128 HA ASP 19 HA ASP 19 -4.115 -2.438 -4.583 129 1HB ASP 19 2HB ASP 19 -5.061 -4.790 -4.785 130 2HB ASP 19 1HB ASP 19 -4.355 -5.144 -3.179 131 H GLY 20 H GLY 20 -1.619 -1.741 -4.007 132 1HA GLY 20 2HA GLY 20 -1.096 -2.133 -1.200 133 2HA GLY 20 1HA GLY 20 -0.184 -1.144 -2.385 134 H VAL 21 H VAL 21 -1.250 -0.611 0.507 135 HA VAL 21 HA VAL 21 -3.242 1.375 0.015 136 HB VAL 21 HB VAL 21 -1.777 0.705 2.574 137 1HG1 VAL 21 1HG1 VAL 21 -3.807 1.836 3.591 138 2HG1 VAL 21 2HG1 VAL 21 -4.358 2.309 1.942 139 3HG1 VAL 21 3HG1 VAL 21 -2.834 2.991 2.620 140 1HG2 VAL 21 1HG2 VAL 21 -3.011 -1.279 1.738 141 2HG2 VAL 21 2HG2 VAL 21 -4.462 -0.263 1.392 142 3HG2 VAL 21 3HG2 VAL 21 -3.926 -0.525 3.088 143 H CYS 22 H CYS 22 -2.466 3.093 -1.147 144 HA CYS 22 HA CYS 22 0.063 4.219 -0.326 145 1HB CYS 22 2HB CYS 22 -0.086 5.677 -2.296 146 2HB CYS 22 1HB CYS 22 -0.015 3.914 -2.574 147 H MET 23 H MET 23 0.477 5.941 0.732 148 HA MET 23 HA MET 23 -1.734 7.789 1.361 149 1HB MET 23 2HB MET 23 0.559 6.896 3.170 150 2HB MET 23 1HB MET 23 -0.677 8.146 3.558 151 1HG MET 23 2HG MET 23 -2.475 6.424 3.341 152 2HG MET 23 1HG MET 23 -1.252 5.171 3.019 153 1HE MET 23 1HE MET 23 0.666 4.594 6.241 154 2HE MET 23 2HE MET 23 1.169 5.722 4.943 155 3HE MET 23 3HE MET 23 0.360 4.173 4.522 156 H TYR 24 H TYR 24 -1.382 9.453 0.126 157 HA TYR 24 HA TYR 24 1.222 10.602 -0.316 158 1HB TYR 24 2HB TYR 24 -0.396 10.592 -2.169 159 2HB TYR 24 1HB TYR 24 -1.657 11.329 -1.109 160 HD1 TYR 24 1HD TYR 24 1.844 12.123 -2.285 161 HD2 TYR 24 2HD TYR 24 -2.134 13.424 -1.523 162 HE1 TYR 24 1HE TYR 24 2.362 14.280 -3.265 163 HE2 TYR 24 2HE TYR 24 -1.643 15.568 -2.492 164 HH TYR 24 HH TYR 24 1.635 16.415 -3.673 165 H ILE 25 H ILE 25 2.185 12.210 0.863 166 HA ILE 25 HA ILE 25 0.519 13.719 2.713 167 HB ILE 25 HB ILE 25 1.862 12.387 3.982 168 1HG1 ILE 25 2HG1 ILE 25 3.540 14.896 3.686 169 2HG1 ILE 25 1HG1 ILE 25 1.830 14.985 4.248 170 1HG2 ILE 25 1HG2 ILE 25 4.354 12.194 3.673 171 2HG2 ILE 25 2HG2 ILE 25 4.209 13.025 2.085 172 3HG2 ILE 25 3HG2 ILE 25 3.423 11.427 2.356 173 1HD1 ILE 25 1HD1 ILE 25 3.403 14.896 6.205 174 2HD1 ILE 25 2HD1 ILE 25 4.015 13.292 5.643 175 3HD1 ILE 25 3HD1 ILE 25 2.294 13.481 6.155 176 H GLU 26 H GLU 26 -0.006 15.508 1.648 177 HA GLU 26 HA GLU 26 1.289 16.465 -0.561 178 1HB GLU 26 2HB GLU 26 -1.085 16.821 0.035 179 2HB GLU 26 1HB GLU 26 -0.588 17.920 1.354 180 1HG GLU 26 2HG GLU 26 0.390 19.511 -0.331 181 2HG GLU 26 1HG GLU 26 -0.039 18.375 -1.663 182 H ALA 27 H ALA 27 1.782 17.350 2.793 183 HA ALA 27 HA ALA 27 3.242 19.630 2.588 184 1HB ALA 27 1HB ALA 27 2.489 18.546 4.694 185 2HB ALA 27 2HB ALA 27 4.250 18.889 4.776 186 3HB ALA 27 3HB ALA 27 3.683 17.207 4.464 187 H LEU 28 H LEU 28 4.429 16.323 2.237 188 HA LEU 28 HA LEU 28 7.137 17.285 1.650 189 1HB LEU 28 2HB LEU 28 5.896 14.597 2.356 190 2HB LEU 28 1HB LEU 28 7.577 14.716 1.746 191 HG LEU 28 HG LEU 28 6.885 16.618 3.962 192 1HD1 LEU 28 1HD1 LEU 28 7.181 14.862 5.739 193 2HD1 LEU 28 2HD1 LEU 28 7.021 13.586 4.475 194 3HD1 LEU 28 3HD1 LEU 28 5.647 14.719 4.808 195 1HD2 LEU 28 1HD2 LEU 28 9.189 16.459 3.005 196 2HD2 LEU 28 2HD2 LEU 28 9.246 14.706 3.426 197 3HD2 LEU 28 3HD2 LEU 28 9.184 15.937 4.735 198 H ASP 29 H ASP 29 4.286 16.006 0.178 199 HA ASP 29 HA ASP 29 3.601 15.824 -1.802 200 1HB ASP 29 2HB ASP 29 4.830 17.945 -2.159 201 2HB ASP 29 1HB ASP 29 6.224 17.012 -2.803 202 H LYS 30 H LYS 30 5.515 13.833 -0.462 203 HA LYS 30 HA LYS 30 5.677 12.021 -2.776 204 1HB LYS 30 2HB LYS 30 7.153 11.820 -0.106 205 2HB LYS 30 1HB LYS 30 7.321 10.710 -1.499 206 1HG LYS 30 2HG LYS 30 8.212 13.636 -1.340 207 2HG LYS 30 1HG LYS 30 9.224 12.166 -1.454 208 1HD LYS 30 2HD LYS 30 8.146 11.706 -3.736 209 2HD LYS 30 1HD LYS 30 7.310 13.283 -3.580 210 1HE LYS 30 2HE LYS 30 9.657 14.383 -3.349 211 2HE LYS 30 1HE LYS 30 10.331 12.794 -3.900 212 1HZ LYS 30 1HZ LYS 30 10.009 14.110 -5.791 213 2HZ LYS 30 2HZ LYS 30 8.496 14.646 -5.319 214 3HZ LYS 30 3HZ LYS 30 8.674 13.047 -5.824 215 H TYR 31 H TYR 31 5.494 9.646 -2.023 216 HA TYR 31 HA TYR 31 3.364 9.396 -0.074 217 1HB TYR 31 2HB TYR 31 1.851 8.170 -1.455 218 2HB TYR 31 1HB TYR 31 2.156 9.769 -2.193 219 HD1 TYR 31 1HD TYR 31 3.933 9.888 -4.027 220 HD2 TYR 31 2HD TYR 31 2.094 6.309 -2.729 221 HE1 TYR 31 1HE TYR 31 4.412 8.866 -6.214 222 HE2 TYR 31 2HE TYR 31 2.487 5.288 -4.918 223 HH TYR 31 HH TYR 31 3.142 5.678 -7.061 224 H ALA 32 H ALA 32 3.039 7.242 0.701 225 HA ALA 32 HA ALA 32 5.196 5.381 -0.025 226 1HB ALA 32 1HB ALA 32 5.287 4.644 2.359 227 2HB ALA 32 2HB ALA 32 4.084 5.917 2.795 228 3HB ALA 32 3HB ALA 32 5.730 6.376 2.220 229 H CYS 33 H CYS 33 4.591 3.225 -0.092 230 HA CYS 33 HA CYS 33 1.689 2.755 -0.024 231 1HB CYS 33 2HB CYS 33 3.902 1.435 -1.662 232 2HB CYS 33 1HB CYS 33 2.163 0.982 -1.719 233 H ASN 34 H ASN 34 1.183 1.819 1.856 234 HA ASN 34 HA ASN 34 3.107 0.108 3.156 235 1HB ASN 34 2HB ASN 34 0.372 1.192 3.960 236 2HB ASN 34 1HB ASN 34 1.200 -0.100 4.907 237 1HD2 ASN 34 1HD2 ASN 34 1.378 1.270 6.739 238 2HD2 ASN 34 2HD2 ASN 34 2.524 2.576 6.785 239 H CYS 35 H CYS 35 2.982 -1.992 3.590 240 HA CYS 35 HA CYS 35 1.303 -3.501 1.747 241 1HB CYS 35 2HB CYS 35 3.859 -4.328 3.203 242 2HB CYS 35 1HB CYS 35 2.976 -5.262 1.954 243 H VAL 36 H VAL 36 0.100 -5.265 2.370 244 HA VAL 36 HA VAL 36 -0.653 -5.414 5.118 245 HB VAL 36 HB VAL 36 -2.133 -7.301 4.173 246 1HG1 VAL 36 1HG1 VAL 36 -3.715 -5.586 3.292 247 2HG1 VAL 36 2HG1 VAL 36 -2.391 -4.371 3.249 248 3HG1 VAL 36 3HG1 VAL 36 -2.933 -5.048 4.825 249 1HG2 VAL 36 1HG2 VAL 36 -0.696 -7.541 2.030 250 2HG2 VAL 36 2HG2 VAL 36 -1.370 -5.946 1.504 251 3HG2 VAL 36 3HG2 VAL 36 -2.466 -7.332 1.785 252 H VAL 37 H VAL 37 -0.905 -7.519 6.206 253 HA VAL 37 HA VAL 37 1.677 -8.661 6.391 254 HB VAL 37 HB VAL 37 -0.891 -9.254 7.864 255 1HG1 VAL 37 1HG1 VAL 37 2.047 -9.980 8.492 256 2HG1 VAL 37 2HG1 VAL 37 0.732 -11.158 8.084 257 3HG1 VAL 37 3HG1 VAL 37 0.651 -10.200 9.602 258 1HG2 VAL 37 1HG2 VAL 37 -0.175 -6.877 8.154 259 2HG2 VAL 37 2HG2 VAL 37 1.514 -7.423 8.499 260 3HG2 VAL 37 3HG2 VAL 37 0.184 -7.822 9.635 261 H GLY 38 H GLY 38 2.422 -10.399 5.415 262 1HA GLY 38 2HA GLY 38 2.391 -12.620 4.883 263 2HA GLY 38 1HA GLY 38 0.611 -12.585 4.716 264 H TYR 39 H TYR 39 2.422 -10.042 3.260 265 HA TYR 39 HA TYR 39 2.411 -11.367 0.650 266 1HB TYR 39 2HB TYR 39 1.375 -8.563 1.388 267 2HB TYR 39 1HB TYR 39 1.923 -8.971 -0.286 268 HD1 TYR 39 1HD TYR 39 0.671 -10.324 -1.694 269 HD2 TYR 39 2HD TYR 39 -0.534 -9.864 2.348 270 HE1 TYR 39 1HE TYR 39 -1.441 -11.463 -2.198 271 HE2 TYR 39 2HE TYR 39 -2.623 -11.022 1.871 272 HH TYR 39 HH TYR 39 -3.890 -12.013 0.315 273 H ILE 40 H ILE 40 4.274 -11.212 -0.407 274 HA ILE 40 HA ILE 40 6.339 -9.463 0.705 275 HB ILE 40 HB ILE 40 7.976 -11.307 0.574 276 1HG1 ILE 40 2HG1 ILE 40 5.513 -13.140 0.427 277 2HG1 ILE 40 1HG1 ILE 40 6.539 -12.760 -1.001 278 1HG2 ILE 40 1HG2 ILE 40 6.884 -10.481 2.683 279 2HG2 ILE 40 2HG2 ILE 40 7.430 -12.198 2.721 280 3HG2 ILE 40 3HG2 ILE 40 5.677 -11.813 2.522 281 1HD1 ILE 40 1HD1 ILE 40 8.558 -13.663 0.244 282 2HD1 ILE 40 2HD1 ILE 40 7.273 -14.886 -0.039 283 3HD1 ILE 40 3HD1 ILE 40 7.462 -14.162 1.590 284 H GLY 41 H GLY 41 8.431 -10.461 -0.920 285 1HA GLY 41 2HA GLY 41 9.199 -10.187 -3.013 286 2HA GLY 41 1HA GLY 41 7.550 -9.750 -3.598 287 H GLU 42 H GLU 42 9.826 -8.354 -4.387 288 HA GLU 42 HA GLU 42 10.667 -6.307 -2.866 289 1HB GLU 42 2HB GLU 42 11.229 -5.243 -5.118 290 2HB GLU 42 1HB GLU 42 11.897 -6.846 -4.777 291 1HG GLU 42 2HG GLU 42 9.224 -6.791 -6.241 292 2HG GLU 42 1HG GLU 42 10.667 -6.185 -7.111 293 H ARG 43 H ARG 43 7.767 -6.160 -4.965 294 HA ARG 43 HA ARG 43 7.151 -3.645 -3.540 295 1HB ARG 43 2HB ARG 43 5.900 -2.875 -5.425 296 2HB ARG 43 1HB ARG 43 7.603 -3.153 -5.840 297 1HG ARG 43 2HG ARG 43 5.781 -5.488 -6.380 298 2HG ARG 43 1HG ARG 43 5.393 -4.009 -7.287 299 1HD ARG 43 2HD ARG 43 8.216 -5.262 -7.306 300 2HD ARG 43 1HD ARG 43 6.911 -5.600 -8.528 301 HE ARG 43 HE ARG 43 7.314 -2.715 -8.200 302 1HH1 ARG 43 1HH1 ARG 43 8.913 -5.562 -9.747 303 2HH1 ARG 43 2HH1 ARG 43 9.528 -4.567 -11.024 304 1HH2 ARG 43 1HH2 ARG 43 8.075 -1.581 -9.836 305 2HH2 ARG 43 2HH2 ARG 43 9.042 -2.274 -11.131 306 H CYS 44 H CYS 44 6.553 -6.303 -2.516 307 HA CYS 44 HA CYS 44 4.961 -7.318 -1.491 308 1HB CYS 44 2HB CYS 44 3.492 -4.665 -1.637 309 2HB CYS 44 1HB CYS 44 3.133 -5.999 -0.504 310 H GLN 45 H GLN 45 4.879 -8.055 -4.030 311 HA GLN 45 HA GLN 45 2.058 -8.081 -4.844 312 1HB GLN 45 2HB GLN 45 3.071 -8.842 -7.057 313 2HB GLN 45 1HB GLN 45 3.404 -7.155 -6.541 314 1HG GLN 45 2HG GLN 45 5.667 -7.778 -5.735 315 2HG GLN 45 1HG GLN 45 5.362 -9.498 -6.122 316 1HE2 GLN 45 1HE2 GLN 45 3.935 -8.438 -8.805 317 2HE2 GLN 45 2HE2 GLN 45 5.327 -8.082 -9.789 318 H TYR 46 H TYR 46 4.481 -10.276 -3.539 319 HA TYR 46 HA TYR 46 3.146 -12.535 -4.816 320 1HB TYR 46 2HB TYR 46 5.492 -12.624 -2.891 321 2HB TYR 46 1HB TYR 46 4.923 -13.933 -3.981 322 HD1 TYR 46 1HD TYR 46 7.642 -12.676 -3.539 323 HD2 TYR 46 2HD TYR 46 4.682 -12.101 -6.541 324 HE1 TYR 46 1HE TYR 46 9.346 -11.792 -5.051 325 HE2 TYR 46 2HE TYR 46 6.388 -11.267 -8.058 326 HH TYR 46 HH TYR 46 9.491 -10.299 -6.877 327 H ARG 47 H ARG 47 2.000 -14.107 -3.599 328 HA ARG 47 HA ARG 47 1.202 -13.145 -0.938 329 1HB ARG 47 2HB ARG 47 -0.586 -13.578 -2.587 330 2HB ARG 47 1HB ARG 47 0.030 -15.234 -2.838 331 1HG ARG 47 2HG ARG 47 -0.466 -15.779 -0.446 332 2HG ARG 47 1HG ARG 47 -1.135 -14.132 -0.207 333 1HD ARG 47 2HD ARG 47 -2.979 -14.635 -1.807 334 2HD ARG 47 1HD ARG 47 -2.184 -16.215 -2.237 335 HE ARG 47 HE ARG 47 -2.600 -15.953 0.660 336 1HH1 ARG 47 1HH1 ARG 47 -4.270 -16.997 -2.375 337 2HH1 ARG 47 2HH1 ARG 47 -5.264 -18.112 -1.515 338 1HH2 ARG 47 1HH2 ARG 47 -3.966 -17.413 1.692 339 2HH2 ARG 47 2HH2 ARG 47 -5.056 -18.385 0.719 340 H ASP 48 H ASP 48 1.782 -14.254 0.915 341 HA ASP 48 HA ASP 48 3.113 -16.813 0.554 342 1HB ASP 48 2HB ASP 48 2.810 -14.838 2.851 343 2HB ASP 48 1HB ASP 48 3.023 -16.586 3.243 344 H LEU 49 H LEU 49 2.229 -18.624 0.638 345 HA LEU 49 HA LEU 49 -0.639 -18.760 1.033 346 1HB LEU 49 2HB LEU 49 0.506 -19.587 -1.049 347 2HB LEU 49 1HB LEU 49 1.396 -20.779 -0.071 348 HG LEU 49 HG LEU 49 -0.787 -21.865 0.552 349 1HD1 LEU 49 1HD1 LEU 49 -2.852 -21.269 -0.743 350 2HD1 LEU 49 2HD1 LEU 49 -2.017 -19.817 -1.412 351 3HD1 LEU 49 3HD1 LEU 49 -2.360 -19.939 0.358 352 1HD2 LEU 49 1HD2 LEU 49 -0.316 -21.528 -2.473 353 2HD2 LEU 49 2HD2 LEU 49 -1.221 -22.872 -1.678 354 3HD2 LEU 49 3HD2 LEU 49 0.547 -22.674 -1.382 355 H LYS 50 H LYS 50 2.346 -19.953 2.480 356 HA LYS 50 HA LYS 50 1.259 -22.285 3.429 357 1HB LYS 50 2HB LYS 50 3.745 -20.799 4.403 358 2HB LYS 50 1HB LYS 50 3.387 -22.534 4.705 359 1HG LYS 50 2HG LYS 50 3.821 -21.307 1.925 360 2HG LYS 50 1HG LYS 50 5.030 -22.162 2.907 361 1HD LYS 50 2HD LYS 50 2.704 -23.899 2.798 362 2HD LYS 50 1HD LYS 50 2.903 -23.207 1.169 363 1HE LYS 50 2HE LYS 50 4.194 -25.257 1.218 364 2HE LYS 50 1HE LYS 50 5.395 -23.891 1.280 365 1HZ LYS 50 1HZ LYS 50 5.810 -25.717 2.868 366 2HZ LYS 50 2HZ LYS 50 4.352 -25.398 3.628 367 3HZ LYS 50 3HZ LYS 50 5.592 -24.244 3.664 368 H TRP 51 H TRP 51 1.182 -19.199 5.101 369 HA TRP 51 HA TRP 51 1.009 -20.414 7.663 370 1HB TRP 51 2HB TRP 51 0.520 -18.105 8.456 371 2HB TRP 51 1HB TRP 51 2.025 -18.280 7.504 372 HD1 TRP 51 HD TRP 51 2.183 -16.959 5.181 373 HE1 TRP 51 1HE TRP 51 0.739 -15.102 4.126 374 HE3 TRP 51 3HE TRP 51 -1.798 -17.186 8.315 375 HZ2 TRP 51 2HZ TRP 51 -1.613 -13.697 4.795 376 HZ3 TRP 51 3HZ TRP 51 -3.601 -15.559 8.062 377 HH2 TRP 51 HH TRP 51 -3.524 -13.846 6.331 378 H TRP 52 H TRP 52 -1.349 -19.508 5.307 379 HA TRP 52 HA TRP 52 -3.564 -19.207 6.975 380 1HB TRP 52 2HB TRP 52 -3.522 -20.210 4.084 381 2HB TRP 52 1HB TRP 52 -4.941 -19.571 4.955 382 HD1 TRP 52 HD TRP 52 -1.442 -18.249 3.688 383 HE1 TRP 52 1HE TRP 52 -1.774 -15.894 2.930 384 HE3 TRP 52 3HE TRP 52 -6.298 -17.676 5.072 385 HZ2 TRP 52 2HZ TRP 52 -3.977 -14.067 2.583 386 HZ3 TRP 52 3HZ TRP 52 -7.450 -15.599 4.489 387 HH2 TRP 52 HH TRP 52 -6.314 -13.826 3.267 388 H GLU 53 H GLU 53 -2.697 -22.035 4.971 389 HA GLU 53 HA GLU 53 -4.472 -23.694 6.602 390 1HB GLU 53 2HB GLU 53 -4.791 -23.305 4.049 391 2HB GLU 53 1HB GLU 53 -3.356 -24.318 3.839 392 1HG GLU 53 2HG GLU 53 -5.157 -25.847 3.608 393 2HG GLU 53 1HG GLU 53 -4.672 -26.104 5.318 394 H LEU 54 H LEU 54 -2.662 -23.635 8.214 395 HA LEU 54 HA LEU 54 -1.187 -26.086 7.816 396 1HB LEU 54 2HB LEU 54 0.434 -24.273 7.195 397 2HB LEU 54 1HB LEU 54 0.164 -23.511 8.777 398 HG LEU 54 HG LEU 54 1.116 -25.540 9.908 399 1HD1 LEU 54 1HD1 LEU 54 0.608 -27.324 8.248 400 2HD1 LEU 54 2HD1 LEU 54 2.380 -27.230 8.529 401 3HD1 LEU 54 3HD1 LEU 54 1.673 -26.518 7.029 402 1HD2 LEU 54 1HD2 LEU 54 3.478 -25.121 9.230 403 2HD2 LEU 54 2HD2 LEU 54 2.549 -23.579 9.318 404 3HD2 LEU 54 3HD2 LEU 54 2.911 -24.316 7.716 Start of MODEL 31 1 1H VAL 1 1HT VAL 1 6.645 20.944 3.314 2 2H VAL 1 2HT VAL 1 6.494 22.035 4.566 3 3H VAL 1 3HT VAL 1 6.262 22.558 2.989 4 HA VAL 1 HA VAL 1 4.145 22.400 3.705 5 HB VAL 1 HB VAL 1 4.603 19.593 2.656 6 1HG1 VAL 1 1HG1 VAL 1 2.413 20.010 1.517 7 2HG1 VAL 1 2HG1 VAL 1 2.240 21.572 2.386 8 3HG1 VAL 1 3HG1 VAL 1 2.232 19.996 3.288 9 1HG2 VAL 1 1HG2 VAL 1 4.338 20.646 0.394 10 2HG2 VAL 1 2HG2 VAL 1 5.869 21.137 1.173 11 3HG2 VAL 1 3HG2 VAL 1 4.461 22.276 1.135 12 H VAL 2 H VAL 2 2.355 21.335 4.996 13 HA VAL 2 HA VAL 2 3.541 20.636 7.516 14 HB VAL 2 HB VAL 2 0.745 21.459 6.745 15 1HG1 VAL 2 1HG1 VAL 2 2.045 20.990 9.518 16 2HG1 VAL 2 2HG1 VAL 2 0.627 20.095 8.840 17 3HG1 VAL 2 3HG1 VAL 2 0.492 21.835 9.236 18 1HG2 VAL 2 1HG2 VAL 2 3.096 22.920 8.136 19 2HG2 VAL 2 2HG2 VAL 2 1.439 23.570 7.903 20 3HG2 VAL 2 3HG2 VAL 2 2.481 23.269 6.476 21 H SER 3 H SER 3 3.075 18.864 8.754 22 HA SER 3 HA SER 3 2.679 16.498 7.283 23 1HB SER 3 2HB SER 3 2.938 16.958 10.310 24 2HB SER 3 1HB SER 3 3.088 15.375 9.471 25 HG SER 3 HG SER 3 5.029 16.303 9.950 26 H HIS 4 H HIS 4 0.476 16.426 6.563 27 HA HIS 4 HA HIS 4 -1.222 15.365 8.705 28 1HB HIS 4 2HB HIS 4 -2.198 16.975 6.295 29 2HB HIS 4 1HB HIS 4 -3.251 16.072 7.434 30 HD1 HIS 4 1HD HIS 4 -1.829 19.361 6.956 31 HD2 HIS 4 2HD HIS 4 -3.136 17.079 10.222 32 HE1 HIS 4 1HE HIS 4 -2.232 20.966 8.856 33 HE2 HIS 4 2HE HIS 4 -3.023 19.581 10.794 34 H PHE 5 H PHE 5 -2.608 13.685 8.101 35 HA PHE 5 HA PHE 5 -1.510 11.999 5.989 36 1HB PHE 5 2HB PHE 5 -1.588 11.227 8.425 37 2HB PHE 5 1HB PHE 5 -3.369 11.359 8.365 38 HD1 PHE 5 1HD PHE 5 -0.429 9.473 7.330 39 HD2 PHE 5 2HD PHE 5 -4.651 9.771 7.032 40 HE1 PHE 5 1HE PHE 5 -0.530 7.158 6.541 41 HE2 PHE 5 2HE PHE 5 -4.762 7.458 6.233 42 HZ PHE 5 HZ PHE 5 -2.702 6.143 5.985 43 H ASN 6 H ASN 6 -2.832 11.382 4.250 44 HA ASN 6 HA ASN 6 -5.620 12.287 4.309 45 1HB ASN 6 2HB ASN 6 -3.490 12.987 2.216 46 2HB ASN 6 1HB ASN 6 -5.251 13.294 1.984 47 1HD2 ASN 6 1HD2 ASN 6 -2.338 14.315 3.765 48 2HD2 ASN 6 2HD2 ASN 6 -2.957 15.927 4.021 49 H ASP 7 H ASP 7 -6.642 11.694 2.066 50 HA ASP 7 HA ASP 7 -6.198 8.901 1.623 51 1HB ASP 7 2HB ASP 7 -8.327 9.121 0.303 52 2HB ASP 7 1HB ASP 7 -8.467 9.606 2.021 53 H CYS 8 H CYS 8 -6.337 8.085 -0.645 54 HA CYS 8 HA CYS 8 -4.105 9.249 -1.956 55 1HB CYS 8 2HB CYS 8 -5.821 6.852 -2.764 56 2HB CYS 8 1HB CYS 8 -4.178 7.216 -3.379 57 HA PRO 9 HA PRO 9 -6.250 11.176 -5.246 58 1HB PRO 9 2HB PRO 9 -4.572 9.409 -7.128 59 2HB PRO 9 1HB PRO 9 -4.952 11.173 -7.324 60 1HG PRO 9 2HG PRO 9 -2.534 10.463 -6.283 61 2HG PRO 9 1HG PRO 9 -3.507 11.739 -5.428 62 1HD PRO 9 2HD PRO 9 -3.301 8.756 -4.735 63 2HD PRO 9 1HD PRO 9 -3.221 10.216 -3.635 64 H LEU 10 H LEU 10 -7.522 10.859 -7.366 65 HA LEU 10 HA LEU 10 -9.614 9.282 -6.655 66 1HB LEU 10 2HB LEU 10 -8.991 10.351 -9.453 67 2HB LEU 10 1HB LEU 10 -10.604 9.900 -8.820 68 HG LEU 10 HG LEU 10 -8.848 12.241 -7.890 69 1HD1 LEU 10 1HD1 LEU 10 -10.648 13.639 -8.858 70 2HD1 LEU 10 2HD1 LEU 10 -11.562 12.168 -9.350 71 3HD1 LEU 10 3HD1 LEU 10 -9.969 12.530 -10.112 72 1HD2 LEU 10 1HD2 LEU 10 -11.631 11.361 -6.878 73 2HD2 LEU 10 2HD2 LEU 10 -10.816 12.921 -6.492 74 3HD2 LEU 10 3HD2 LEU 10 -10.105 11.374 -5.913 75 H SER 11 H SER 11 -7.029 8.460 -8.902 76 HA SER 11 HA SER 11 -8.143 5.751 -9.093 77 1HB SER 11 2HB SER 11 -6.445 5.485 -11.009 78 2HB SER 11 1HB SER 11 -7.894 6.487 -11.295 79 HG SER 11 HG SER 11 -5.235 7.287 -11.068 80 H HIS 12 H HIS 12 -6.910 4.025 -8.514 81 HA HIS 12 HA HIS 12 -4.778 4.437 -6.693 82 1HB HIS 12 2HB HIS 12 -5.715 1.880 -8.099 83 2HB HIS 12 1HB HIS 12 -4.624 1.947 -6.674 84 HD1 HIS 12 1HD HIS 12 -6.825 0.268 -5.955 85 HD2 HIS 12 2HD HIS 12 -7.321 4.438 -5.847 86 HE1 HIS 12 1HE HIS 12 -8.774 0.724 -4.483 87 HE2 HIS 12 2HE HIS 12 -9.017 3.234 -4.361 88 H ASP 13 H ASP 13 -2.524 3.791 -6.966 89 HA ASP 13 HA ASP 13 -1.506 4.919 -9.196 90 1HB ASP 13 2HB ASP 13 -0.383 3.195 -6.952 91 2HB ASP 13 1HB ASP 13 0.706 3.697 -8.293 92 H GLY 14 H GLY 14 -0.110 4.306 -10.841 93 1HA GLY 14 2HA GLY 14 -1.105 1.998 -12.224 94 2HA GLY 14 1HA GLY 14 0.046 3.262 -12.793 95 H TYR 15 H TYR 15 1.869 2.996 -10.617 96 HA TYR 15 HA TYR 15 3.376 0.783 -11.517 97 1HB TYR 15 2HB TYR 15 4.059 3.200 -10.602 98 2HB TYR 15 1HB TYR 15 4.030 2.412 -8.994 99 HD1 TYR 15 1HD TYR 15 5.844 0.926 -8.429 100 HD2 TYR 15 2HD TYR 15 5.400 2.325 -12.416 101 HE1 TYR 15 1HE TYR 15 8.054 0.045 -8.981 102 HE2 TYR 15 2HE TYR 15 7.597 1.452 -12.983 103 HH TYR 15 HH TYR 15 9.561 0.701 -12.111 104 H CYS 16 H CYS 16 1.098 1.201 -8.942 105 HA CYS 16 HA CYS 16 2.167 -1.018 -7.412 106 1HB CYS 16 2HB CYS 16 -0.275 0.750 -6.940 107 2HB CYS 16 1HB CYS 16 0.341 -0.498 -5.813 108 H LEU 17 H LEU 17 1.529 -3.064 -7.632 109 HA LEU 17 HA LEU 17 -1.055 -3.618 -8.920 110 1HB LEU 17 2HB LEU 17 -0.112 -5.755 -9.716 111 2HB LEU 17 1HB LEU 17 0.587 -4.322 -10.500 112 HG LEU 17 HG LEU 17 2.091 -5.310 -8.087 113 1HD1 LEU 17 1HD1 LEU 17 2.024 -6.939 -10.703 114 2HD1 LEU 17 2HD1 LEU 17 1.362 -7.456 -9.107 115 3HD1 LEU 17 3HD1 LEU 17 3.132 -7.199 -9.294 116 1HD2 LEU 17 1HD2 LEU 17 4.039 -4.792 -9.535 117 2HD2 LEU 17 2HD2 LEU 17 2.892 -3.410 -9.577 118 3HD2 LEU 17 3HD2 LEU 17 2.958 -4.559 -10.963 119 H HIS 18 H HIS 18 -1.951 -5.758 -8.214 120 HA HIS 18 HA HIS 18 -2.746 -7.034 -6.684 121 1HB HIS 18 2HB HIS 18 -0.235 -7.522 -6.354 122 2HB HIS 18 1HB HIS 18 -0.367 -6.578 -4.850 123 HD1 HIS 18 1HD HIS 18 -2.623 -7.646 -3.415 124 HD2 HIS 18 2HD HIS 18 -0.218 -10.125 -5.760 125 HE1 HIS 18 1HE HIS 18 -2.782 -9.997 -2.410 126 HE2 HIS 18 2HE HIS 18 -1.243 -11.431 -3.830 127 H ASP 19 H ASP 19 -3.066 -4.114 -6.677 128 HA ASP 19 HA ASP 19 -3.579 -2.378 -5.482 129 1HB ASP 19 2HB ASP 19 -5.589 -3.691 -6.345 130 2HB ASP 19 1HB ASP 19 -5.933 -4.105 -4.637 131 H GLY 20 H GLY 20 -1.713 -2.385 -4.025 132 1HA GLY 20 2HA GLY 20 -2.130 -3.171 -1.341 133 2HA GLY 20 1HA GLY 20 -0.835 -2.137 -2.042 134 H VAL 21 H VAL 21 -2.166 -1.748 0.522 135 HA VAL 21 HA VAL 21 -4.156 0.250 0.082 136 HB VAL 21 HB VAL 21 -2.869 -0.550 2.700 137 1HG1 VAL 21 1HG1 VAL 21 -5.047 0.382 3.582 138 2HG1 VAL 21 2HG1 VAL 21 -5.510 0.882 1.918 139 3HG1 VAL 21 3HG1 VAL 21 -4.109 1.665 2.740 140 1HG2 VAL 21 1HG2 VAL 21 -3.881 -2.562 1.615 141 2HG2 VAL 21 2HG2 VAL 21 -5.364 -1.618 1.217 142 3HG2 VAL 21 3HG2 VAL 21 -4.947 -1.969 2.927 143 H CYS 22 H CYS 22 -3.614 2.220 -0.584 144 HA CYS 22 HA CYS 22 -0.947 3.141 -0.208 145 1HB CYS 22 2HB CYS 22 -1.606 4.926 -1.785 146 2HB CYS 22 1HB CYS 22 -1.976 3.277 -2.358 147 H MET 23 H MET 23 -0.355 5.330 0.454 148 HA MET 23 HA MET 23 -2.331 6.705 2.072 149 1HB MET 23 2HB MET 23 -0.761 7.078 3.940 150 2HB MET 23 1HB MET 23 -1.187 5.356 3.754 151 1HG MET 23 2HG MET 23 0.969 4.887 2.636 152 2HG MET 23 1HG MET 23 1.420 6.611 2.718 153 1HE MET 23 1HE MET 23 3.222 4.197 3.734 154 2HE MET 23 2HE MET 23 3.888 4.943 5.218 155 3HE MET 23 3HE MET 23 3.664 5.940 3.738 156 H TYR 24 H TYR 24 -1.899 8.924 2.394 157 HA TYR 24 HA TYR 24 0.244 10.047 0.741 158 1HB TYR 24 2HB TYR 24 -1.912 10.347 -0.443 159 2HB TYR 24 1HB TYR 24 -2.680 10.919 1.077 160 HD1 TYR 24 1HD TYR 24 -3.568 12.626 -0.086 161 HD2 TYR 24 2HD TYR 24 0.677 12.316 0.120 162 HE1 TYR 24 1HE TYR 24 -3.388 14.911 -0.789 163 HE2 TYR 24 2HE TYR 24 0.875 14.616 -0.571 164 HH TYR 24 HH TYR 24 -0.236 16.531 -1.238 165 H ILE 25 H ILE 25 1.665 11.118 2.007 166 HA ILE 25 HA ILE 25 0.661 12.309 4.474 167 HB ILE 25 HB ILE 25 3.100 12.066 5.171 168 1HG1 ILE 25 2HG1 ILE 25 3.761 11.028 2.861 169 2HG1 ILE 25 1HG1 ILE 25 4.419 10.400 4.394 170 1HG2 ILE 25 1HG2 ILE 25 1.030 9.791 5.176 171 2HG2 ILE 25 2HG2 ILE 25 1.165 11.156 6.341 172 3HG2 ILE 25 3HG2 ILE 25 2.455 9.903 6.274 173 1HD1 ILE 25 1HD1 ILE 25 3.799 8.579 2.776 174 2HD1 ILE 25 2HD1 ILE 25 2.070 9.058 2.911 175 3HD1 ILE 25 3HD1 ILE 25 2.947 8.441 4.351 176 H GLU 26 H GLU 26 0.526 14.391 4.273 177 HA GLU 26 HA GLU 26 1.539 15.697 2.058 178 1HB GLU 26 2HB GLU 26 -0.110 16.479 4.417 179 2HB GLU 26 1HB GLU 26 0.737 17.798 3.552 180 1HG GLU 26 2HG GLU 26 -0.190 17.004 1.366 181 2HG GLU 26 1HG GLU 26 -1.205 15.807 2.238 182 H ALA 27 H ALA 27 3.265 15.242 5.003 183 HA ALA 27 HA ALA 27 4.478 17.580 5.444 184 1HB ALA 27 1HB ALA 27 4.758 15.518 6.810 185 2HB ALA 27 2HB ALA 27 6.354 16.230 6.402 186 3HB ALA 27 3HB ALA 27 5.751 14.780 5.512 187 H LEU 28 H LEU 28 5.813 15.196 3.131 188 HA LEU 28 HA LEU 28 7.107 17.492 1.798 189 1HB LEU 28 2HB LEU 28 7.941 14.562 1.836 190 2HB LEU 28 1HB LEU 28 8.658 15.847 0.811 191 HG LEU 28 HG LEU 28 8.763 17.079 3.274 192 1HD1 LEU 28 1HD1 LEU 28 9.327 14.094 3.830 193 2HD1 LEU 28 2HD1 LEU 28 7.950 15.058 4.496 194 3HD1 LEU 28 3HD1 LEU 28 9.641 15.480 4.947 195 1HD2 LEU 28 1HD2 LEU 28 10.524 16.953 1.574 196 2HD2 LEU 28 2HD2 LEU 28 10.902 15.243 2.042 197 3HD2 LEU 28 3HD2 LEU 28 11.180 16.593 3.216 198 H ASP 29 H ASP 29 4.389 15.845 1.673 199 HA ASP 29 HA ASP 29 2.874 15.287 0.289 200 1HB ASP 29 2HB ASP 29 3.500 17.594 -0.617 201 2HB ASP 29 1HB ASP 29 4.278 16.739 -1.999 202 H LYS 30 H LYS 30 4.256 13.233 0.851 203 HA LYS 30 HA LYS 30 4.781 11.845 -1.685 204 1HB LYS 30 2HB LYS 30 6.100 11.362 1.025 205 2HB LYS 30 1HB LYS 30 6.470 10.495 -0.498 206 1HG LYS 30 2HG LYS 30 7.015 13.448 0.118 207 2HG LYS 30 1HG LYS 30 8.220 12.129 0.002 208 1HD LYS 30 2HD LYS 30 7.639 11.804 -2.409 209 2HD LYS 30 1HD LYS 30 6.371 13.068 -2.253 210 1HE LYS 30 2HE LYS 30 8.111 14.811 -1.766 211 2HE LYS 30 1HE LYS 30 9.408 13.579 -2.052 212 1HZ LYS 30 1HZ LYS 30 8.783 14.944 -4.037 213 2HZ LYS 30 2HZ LYS 30 7.255 14.262 -4.006 214 3HZ LYS 30 3HZ LYS 30 8.585 13.269 -4.273 215 H TYR 31 H TYR 31 4.709 9.454 -1.476 216 HA TYR 31 HA TYR 31 2.237 8.749 -0.068 217 1HB TYR 31 2HB TYR 31 2.688 7.784 -2.921 218 2HB TYR 31 1HB TYR 31 1.155 8.052 -2.032 219 HD1 TYR 31 1HD TYR 31 3.742 9.450 -4.098 220 HD2 TYR 31 2HD TYR 31 0.326 10.377 -1.780 221 HE1 TYR 31 1HE TYR 31 3.722 11.729 -5.055 222 HE2 TYR 31 2HE TYR 31 0.275 12.646 -2.744 223 HH TYR 31 HH TYR 31 2.078 14.244 -3.665 224 H ALA 32 H ALA 32 1.846 6.292 -0.328 225 HA ALA 32 HA ALA 32 3.889 4.820 -1.466 226 1HB ALA 32 1HB ALA 32 3.700 4.527 1.599 227 2HB ALA 32 2HB ALA 32 5.129 5.164 0.713 228 3HB ALA 32 3HB ALA 32 4.658 3.445 0.522 229 H CYS 33 H CYS 33 3.191 2.795 -2.050 230 HA CYS 33 HA CYS 33 0.555 1.941 -1.214 231 1HB CYS 33 2HB CYS 33 2.598 0.737 -3.139 232 2HB CYS 33 1HB CYS 33 0.960 0.076 -2.856 233 H ASN 34 H ASN 34 0.396 0.844 0.735 234 HA ASN 34 HA ASN 34 2.713 -0.668 1.590 235 1HB ASN 34 2HB ASN 34 0.114 0.005 3.047 236 2HB ASN 34 1HB ASN 34 1.511 -0.889 3.750 237 1HD2 ASN 34 1HD2 ASN 34 0.171 2.042 3.990 238 2HD2 ASN 34 2HD2 ASN 34 1.604 3.030 4.112 239 H CYS 35 H CYS 35 2.742 -2.800 2.181 240 HA CYS 35 HA CYS 35 0.875 -4.417 0.629 241 1HB CYS 35 2HB CYS 35 3.723 -4.948 1.599 242 2HB CYS 35 1HB CYS 35 2.743 -6.113 0.665 243 H VAL 36 H VAL 36 0.866 -6.734 1.460 244 HA VAL 36 HA VAL 36 -0.600 -6.889 3.707 245 HB VAL 36 HB VAL 36 0.865 -9.387 3.096 246 1HG1 VAL 36 1HG1 VAL 36 -1.445 -10.185 2.773 247 2HG1 VAL 36 2HG1 VAL 36 -2.074 -8.501 2.829 248 3HG1 VAL 36 3HG1 VAL 36 -1.348 -9.244 4.307 249 1HG2 VAL 36 1HG2 VAL 36 -0.534 -7.937 0.784 250 2HG2 VAL 36 2HG2 VAL 36 -0.032 -9.653 0.837 251 3HG2 VAL 36 3HG2 VAL 36 1.227 -8.392 0.871 252 H VAL 37 H VAL 37 -0.292 -7.957 5.810 253 HA VAL 37 HA VAL 37 2.472 -8.034 6.685 254 HB VAL 37 HB VAL 37 0.864 -7.053 8.177 255 1HG1 VAL 37 1HG1 VAL 37 -0.258 -9.907 8.520 256 2HG1 VAL 37 2HG1 VAL 37 -1.121 -8.568 7.656 257 3HG1 VAL 37 3HG1 VAL 37 -0.741 -8.431 9.410 258 1HG2 VAL 37 1HG2 VAL 37 1.702 -8.253 10.177 259 2HG2 VAL 37 2HG2 VAL 37 3.016 -8.072 8.957 260 3HG2 VAL 37 3HG2 VAL 37 2.185 -9.661 9.182 261 H GLY 38 H GLY 38 3.678 -9.835 6.731 262 1HA GLY 38 2HA GLY 38 4.132 -12.050 6.763 263 2HA GLY 38 1HA GLY 38 2.380 -12.436 6.514 264 H TYR 39 H TYR 39 5.138 -10.810 4.888 265 HA TYR 39 HA TYR 39 3.935 -11.550 2.306 266 1HB TYR 39 2HB TYR 39 2.833 -9.561 2.896 267 2HB TYR 39 1HB TYR 39 4.164 -9.028 3.967 268 HD1 TYR 39 1HD TYR 39 5.641 -7.493 3.289 269 HD2 TYR 39 2HD TYR 39 3.369 -9.609 0.457 270 HE1 TYR 39 1HE TYR 39 6.709 -6.149 1.487 271 HE2 TYR 39 2HE TYR 39 4.417 -8.351 -1.388 272 HH TYR 39 HH TYR 39 6.489 -7.120 -1.797 273 H ILE 40 H ILE 40 5.294 -11.743 0.589 274 HA ILE 40 HA ILE 40 7.925 -10.625 0.802 275 HB ILE 40 HB ILE 40 8.801 -12.682 -0.526 276 1HG1 ILE 40 2HG1 ILE 40 6.881 -14.179 1.309 277 2HG1 ILE 40 1HG1 ILE 40 6.372 -13.766 -0.346 278 1HG2 ILE 40 1HG2 ILE 40 9.726 -13.565 1.555 279 2HG2 ILE 40 2HG2 ILE 40 8.425 -12.766 2.512 280 3HG2 ILE 40 3HG2 ILE 40 9.651 -11.769 1.638 281 1HD1 ILE 40 1HD1 ILE 40 7.381 -16.061 -0.235 282 2HD1 ILE 40 2HD1 ILE 40 8.955 -15.342 0.279 283 3HD1 ILE 40 3HD1 ILE 40 8.284 -14.972 -1.341 284 H GLY 41 H GLY 41 8.930 -10.578 -1.477 285 1HA GLY 41 2HA GLY 41 8.621 -10.830 -3.760 286 2HA GLY 41 1HA GLY 41 6.842 -10.773 -3.554 287 H GLU 42 H GLU 42 9.382 -9.108 -4.757 288 HA GLU 42 HA GLU 42 9.575 -6.845 -3.266 289 1HB GLU 42 2HB GLU 42 10.253 -7.201 -6.230 290 2HB GLU 42 1HB GLU 42 10.967 -6.010 -5.105 291 1HG GLU 42 2HG GLU 42 11.307 -9.090 -5.041 292 2HG GLU 42 1HG GLU 42 12.535 -7.856 -5.461 293 H ARG 43 H ARG 43 7.613 -7.359 -6.169 294 HA ARG 43 HA ARG 43 6.711 -4.582 -6.026 295 1HB ARG 43 2HB ARG 43 5.745 -4.927 -8.202 296 2HB ARG 43 1HB ARG 43 7.479 -5.328 -8.168 297 1HG ARG 43 2HG ARG 43 6.923 -7.788 -8.120 298 2HG ARG 43 1HG ARG 43 5.188 -7.385 -8.168 299 1HD ARG 43 2HD ARG 43 5.579 -6.102 -10.337 300 2HD ARG 43 1HD ARG 43 7.304 -6.563 -10.308 301 HE ARG 43 HE ARG 43 5.032 -8.183 -11.131 302 1HH1 ARG 43 1HH1 ARG 43 8.526 -8.239 -10.419 303 2HH1 ARG 43 2HH1 ARG 43 8.716 -9.831 -10.999 304 1HH2 ARG 43 1HH2 ARG 43 5.356 -10.330 -11.903 305 2HH2 ARG 43 2HH2 ARG 43 6.982 -10.965 -11.874 306 H CYS 44 H CYS 44 6.014 -6.298 -3.958 307 HA CYS 44 HA CYS 44 4.341 -6.477 -2.561 308 1HB CYS 44 2HB CYS 44 3.688 -4.255 -3.722 309 2HB CYS 44 1HB CYS 44 2.366 -5.192 -4.458 310 H GLN 45 H GLN 45 4.969 -8.541 -4.390 311 HA GLN 45 HA GLN 45 2.544 -9.461 -5.497 312 1HB GLN 45 2HB GLN 45 4.896 -9.282 -6.498 313 2HB GLN 45 1HB GLN 45 5.306 -10.752 -5.579 314 1HG GLN 45 2HG GLN 45 4.794 -11.440 -7.787 315 2HG GLN 45 1HG GLN 45 3.342 -11.922 -6.839 316 1HE2 GLN 45 1HE2 GLN 45 4.043 -10.996 -9.751 317 2HE2 GLN 45 2HE2 GLN 45 2.796 -9.826 -10.132 318 H TYR 46 H TYR 46 4.690 -11.100 -3.011 319 HA TYR 46 HA TYR 46 2.854 -13.365 -3.264 320 1HB TYR 46 2HB TYR 46 5.635 -13.312 -2.079 321 2HB TYR 46 1HB TYR 46 4.675 -14.764 -2.533 322 HD1 TYR 46 1HD TYR 46 7.510 -13.498 -3.144 323 HD2 TYR 46 2HD TYR 46 3.947 -14.128 -5.374 324 HE1 TYR 46 1HE TYR 46 8.833 -13.743 -5.163 325 HE2 TYR 46 2HE TYR 46 5.273 -14.406 -7.402 326 HH TYR 46 HH TYR 46 8.838 -14.227 -7.321 327 H ARG 47 H ARG 47 2.633 -14.715 -1.264 328 HA ARG 47 HA ARG 47 2.596 -13.053 1.167 329 1HB ARG 47 2HB ARG 47 0.635 -15.171 0.172 330 2HB ARG 47 1HB ARG 47 0.550 -14.412 1.791 331 1HG ARG 47 2HG ARG 47 0.013 -12.237 0.836 332 2HG ARG 47 1HG ARG 47 0.419 -12.798 -0.810 333 1HD ARG 47 2HD ARG 47 -1.956 -12.696 -0.711 334 2HD ARG 47 1HD ARG 47 -1.480 -14.438 -0.765 335 HE ARG 47 HE ARG 47 -2.212 -12.977 1.828 336 1HH1 ARG 47 1HH1 ARG 47 -2.914 -15.859 -0.303 337 2HH1 ARG 47 2HH1 ARG 47 -3.799 -16.546 1.026 338 1HH2 ARG 47 1HH2 ARG 47 -3.498 -13.979 3.258 339 2HH2 ARG 47 2HH2 ARG 47 -4.103 -15.607 2.945 340 H ASP 48 H ASP 48 3.150 -14.152 3.129 341 HA ASP 48 HA ASP 48 4.631 -16.587 2.893 342 1HB ASP 48 2HB ASP 48 3.648 -14.855 5.215 343 2HB ASP 48 1HB ASP 48 4.277 -16.498 5.537 344 H LEU 49 H LEU 49 3.163 -18.130 1.927 345 HA LEU 49 HA LEU 49 0.673 -18.592 3.201 346 1HB LEU 49 2HB LEU 49 2.120 -20.191 1.044 347 2HB LEU 49 1HB LEU 49 0.410 -20.402 1.528 348 HG LEU 49 HG LEU 49 1.616 -17.906 0.222 349 1HD1 LEU 49 1HD1 LEU 49 1.354 -19.888 -1.292 350 2HD1 LEU 49 2HD1 LEU 49 0.204 -18.565 -1.711 351 3HD1 LEU 49 3HD1 LEU 49 -0.380 -20.020 -0.819 352 1HD2 LEU 49 1HD2 LEU 49 -1.295 -18.503 1.088 353 2HD2 LEU 49 2HD2 LEU 49 -0.774 -17.139 0.036 354 3HD2 LEU 49 3HD2 LEU 49 -0.229 -17.199 1.746 355 H LYS 50 H LYS 50 3.177 -19.142 4.807 356 HA LYS 50 HA LYS 50 3.366 -21.939 5.122 357 1HB LYS 50 2HB LYS 50 4.360 -19.575 6.810 358 2HB LYS 50 1HB LYS 50 4.641 -21.294 7.247 359 1HG LYS 50 2HG LYS 50 6.584 -20.710 6.222 360 2HG LYS 50 1HG LYS 50 5.707 -21.586 4.936 361 1HD LYS 50 2HD LYS 50 5.109 -19.376 3.869 362 2HD LYS 50 1HD LYS 50 5.840 -18.515 5.262 363 1HE LYS 50 2HE LYS 50 7.381 -18.472 3.348 364 2HE LYS 50 1HE LYS 50 8.067 -19.462 4.713 365 1HZ LYS 50 1HZ LYS 50 7.570 -21.435 3.575 366 2HZ LYS 50 2HZ LYS 50 8.238 -20.432 2.405 367 3HZ LYS 50 3HZ LYS 50 6.561 -20.687 2.449 368 H TRP 51 H TRP 51 1.881 -19.442 7.207 369 HA TRP 51 HA TRP 51 0.631 -21.503 8.796 370 1HB TRP 51 2HB TRP 51 -0.284 -19.607 10.107 371 2HB TRP 51 1HB TRP 51 1.501 -19.652 9.999 372 HD1 TRP 51 HD TRP 51 -1.507 -17.494 8.761 373 HE1 TRP 51 1HE TRP 51 -0.565 -15.206 8.084 374 HE3 TRP 51 3HE TRP 51 3.451 -18.535 9.195 375 HZ2 TRP 51 2HZ TRP 51 1.961 -13.986 7.889 376 HZ3 TRP 51 3HZ TRP 51 5.073 -16.758 8.760 377 HH2 TRP 51 HH TRP 51 4.354 -14.526 8.121 378 H TRP 52 H TRP 52 -0.319 -19.305 6.243 379 HA TRP 52 HA TRP 52 -3.054 -19.504 6.547 380 1HB TRP 52 2HB TRP 52 -1.366 -19.057 4.030 381 2HB TRP 52 1HB TRP 52 -3.148 -18.899 4.072 382 HD1 TRP 52 HD TRP 52 -0.225 -16.679 4.377 383 HE1 TRP 52 1HE TRP 52 -1.036 -14.381 5.149 384 HE3 TRP 52 3HE TRP 52 -4.895 -17.988 5.858 385 HZ2 TRP 52 2HZ TRP 52 -3.392 -13.274 6.256 386 HZ3 TRP 52 3HZ TRP 52 -6.405 -16.248 6.666 387 HH2 TRP 52 HH TRP 52 -5.679 -13.928 6.843 388 H GLU 53 H GLU 53 -0.921 -21.696 4.712 389 HA GLU 53 HA GLU 53 -3.223 -23.126 3.721 390 1HB GLU 53 2HB GLU 53 -1.381 -22.742 2.212 391 2HB GLU 53 1HB GLU 53 -0.260 -23.643 3.278 392 1HG GLU 53 2HG GLU 53 -1.384 -25.745 2.860 393 2HG GLU 53 1HG GLU 53 -2.845 -24.926 2.199 394 H LEU 54 H LEU 54 -3.968 -23.424 5.809 395 HA LEU 54 HA LEU 54 -2.874 -25.629 7.336 396 1HB LEU 54 2HB LEU 54 -3.793 -23.477 8.280 397 2HB LEU 54 1HB LEU 54 -5.415 -23.945 7.713 398 HG LEU 54 HG LEU 54 -4.891 -24.233 10.163 399 1HD1 LEU 54 1HD1 LEU 54 -5.754 -26.822 8.758 400 2HD1 LEU 54 2HD1 LEU 54 -6.811 -25.405 9.125 401 3HD1 LEU 54 3HD1 LEU 54 -6.084 -26.360 10.468 402 1HD2 LEU 54 1HD2 LEU 54 -2.550 -25.112 9.968 403 2HD2 LEU 54 2HD2 LEU 54 -3.201 -26.661 9.308 404 3HD2 LEU 54 3HD2 LEU 54 -3.614 -26.159 10.984 Start of MODEL 32 1 1H VAL 1 1HT VAL 1 6.485 19.011 6.613 2 2H VAL 1 2HT VAL 1 5.789 20.229 7.553 3 3H VAL 1 3HT VAL 1 5.098 19.817 6.091 4 HA VAL 1 HA VAL 1 4.829 17.532 6.966 5 HB VAL 1 HB VAL 1 6.566 18.078 8.785 6 1HG1 VAL 1 1HG1 VAL 1 4.015 18.784 10.373 7 2HG1 VAL 1 2HG1 VAL 1 5.257 19.986 9.869 8 3HG1 VAL 1 3HG1 VAL 1 5.692 18.650 10.981 9 1HG2 VAL 1 1HG2 VAL 1 5.547 15.855 8.477 10 2HG2 VAL 1 2HG2 VAL 1 4.113 16.349 9.475 11 3HG2 VAL 1 3HG2 VAL 1 5.744 16.277 10.204 12 H VAL 2 H VAL 2 2.731 16.776 8.001 13 HA VAL 2 HA VAL 2 0.875 18.885 8.512 14 HB VAL 2 HB VAL 2 0.931 18.469 6.036 15 1HG1 VAL 2 1HG1 VAL 2 -0.071 16.408 5.150 16 2HG1 VAL 2 2HG1 VAL 2 -0.262 15.708 6.786 17 3HG1 VAL 2 3HG1 VAL 2 1.387 15.991 6.114 18 1HG2 VAL 2 1HG2 VAL 2 -1.760 17.828 7.393 19 2HG2 VAL 2 2HG2 VAL 2 -1.478 18.473 5.744 20 3HG2 VAL 2 3HG2 VAL 2 -1.039 19.469 7.173 21 H SER 3 H SER 3 -1.157 17.861 9.498 22 HA SER 3 HA SER 3 -0.544 15.216 10.611 23 1HB SER 3 2HB SER 3 -1.953 15.862 12.582 24 2HB SER 3 1HB SER 3 -0.423 16.760 12.402 25 HG SER 3 HG SER 3 -3.031 17.700 11.885 26 H HIS 4 H HIS 4 -1.825 15.717 8.055 27 HA HIS 4 HA HIS 4 -4.441 14.495 8.674 28 1HB HIS 4 2HB HIS 4 -3.523 15.961 6.142 29 2HB HIS 4 1HB HIS 4 -5.020 14.985 6.265 30 HD1 HIS 4 1HD HIS 4 -6.424 16.969 5.698 31 HD2 HIS 4 2HD HIS 4 -4.292 17.493 9.268 32 HE1 HIS 4 1HE HIS 4 -7.316 19.060 6.776 33 HE2 HIS 4 2HE HIS 4 -6.051 19.319 8.957 34 H PHE 5 H PHE 5 -5.037 12.620 7.560 35 HA PHE 5 HA PHE 5 -2.861 11.189 6.216 36 1HB PHE 5 2HB PHE 5 -5.444 10.326 7.630 37 2HB PHE 5 1HB PHE 5 -4.689 9.274 6.382 38 HD1 PHE 5 1HD PHE 5 -4.133 10.816 9.704 39 HD2 PHE 5 2HD PHE 5 -2.653 8.203 6.697 40 HE1 PHE 5 1HE PHE 5 -2.434 9.981 11.262 41 HE2 PHE 5 2HE PHE 5 -0.972 7.363 8.232 42 HZ PHE 5 HZ PHE 5 -0.848 8.252 10.537 43 H ASN 6 H ASN 6 -3.126 10.441 4.153 44 HA ASN 6 HA ASN 6 -5.636 11.004 2.817 45 1HB ASN 6 2HB ASN 6 -2.882 11.995 1.887 46 2HB ASN 6 1HB ASN 6 -4.245 11.760 0.738 47 1HD2 ASN 6 1HD2 ASN 6 -6.432 12.767 1.604 48 2HD2 ASN 6 2HD2 ASN 6 -6.257 14.442 2.041 49 H ASP 7 H ASP 7 -6.344 9.322 1.867 50 HA ASP 7 HA ASP 7 -4.628 7.327 0.649 51 1HB ASP 7 2HB ASP 7 -6.839 6.762 1.764 52 2HB ASP 7 1HB ASP 7 -7.663 7.938 0.686 53 H CYS 8 H CYS 8 -4.151 7.471 -1.561 54 HA CYS 8 HA CYS 8 -3.933 9.891 -2.711 55 1HB CYS 8 2HB CYS 8 -3.987 7.165 -4.035 56 2HB CYS 8 1HB CYS 8 -3.371 8.655 -4.809 57 HA PRO 9 HA PRO 9 -8.136 9.894 -4.200 58 1HB PRO 9 2HB PRO 9 -8.716 12.558 -4.256 59 2HB PRO 9 1HB PRO 9 -8.455 11.636 -2.730 60 1HG PRO 9 2HG PRO 9 -6.469 13.493 -4.130 61 2HG PRO 9 1HG PRO 9 -6.832 13.316 -2.363 62 1HD PRO 9 2HD PRO 9 -4.702 12.007 -3.766 63 2HD PRO 9 1HD PRO 9 -5.378 11.505 -2.166 64 H LEU 10 H LEU 10 -6.283 12.502 -5.788 65 HA LEU 10 HA LEU 10 -7.720 12.163 -8.186 66 1HB LEU 10 2HB LEU 10 -6.509 13.937 -9.107 67 2HB LEU 10 1HB LEU 10 -6.904 14.353 -7.423 68 HG LEU 10 HG LEU 10 -4.154 13.415 -8.436 69 1HD1 LEU 10 1HD1 LEU 10 -4.831 15.599 -9.399 70 2HD1 LEU 10 2HD1 LEU 10 -3.493 15.791 -8.208 71 3HD1 LEU 10 3HD1 LEU 10 -5.181 16.231 -7.741 72 1HD2 LEU 10 1HD2 LEU 10 -4.969 14.610 -5.703 73 2HD2 LEU 10 2HD2 LEU 10 -3.287 14.330 -6.274 74 3HD2 LEU 10 3HD2 LEU 10 -4.359 12.928 -5.996 75 H SER 11 H SER 11 -4.527 11.098 -7.173 76 HA SER 11 HA SER 11 -3.886 10.118 -9.796 77 1HB SER 11 2HB SER 11 -2.164 10.975 -8.134 78 2HB SER 11 1HB SER 11 -2.475 9.510 -7.153 79 HG SER 11 HG SER 11 -0.788 9.059 -8.472 80 H HIS 12 H HIS 12 -3.410 7.878 -10.277 81 HA HIS 12 HA HIS 12 -4.921 5.990 -8.594 82 1HB HIS 12 2HB HIS 12 -4.800 6.014 -11.648 83 2HB HIS 12 1HB HIS 12 -5.380 4.628 -10.656 84 HD1 HIS 12 1HD HIS 12 -6.402 8.093 -11.703 85 HD2 HIS 12 2HD HIS 12 -7.805 5.005 -9.232 86 HE1 HIS 12 1HE HIS 12 -8.738 8.724 -10.986 87 HE2 HIS 12 2HE HIS 12 -9.580 6.848 -9.554 88 H ASP 13 H ASP 13 -4.174 3.886 -8.487 89 HA ASP 13 HA ASP 13 -1.337 3.861 -8.303 90 1HB ASP 13 2HB ASP 13 -3.160 2.998 -6.650 91 2HB ASP 13 1HB ASP 13 -3.224 1.527 -7.670 92 H GLY 14 H GLY 14 -0.149 1.877 -8.935 93 1HA GLY 14 2HA GLY 14 -0.850 0.767 -11.513 94 2HA GLY 14 1HA GLY 14 0.426 2.047 -11.529 95 H TYR 15 H TYR 15 1.972 1.593 -9.411 96 HA TYR 15 HA TYR 15 3.172 -0.882 -10.188 97 1HB TYR 15 2HB TYR 15 4.369 1.363 -9.946 98 2HB TYR 15 1HB TYR 15 4.228 1.166 -8.171 99 HD1 TYR 15 1HD TYR 15 6.184 0.358 -7.245 100 HD2 TYR 15 2HD TYR 15 5.148 -0.947 -11.155 101 HE1 TYR 15 1HE TYR 15 8.211 -0.998 -7.326 102 HE2 TYR 15 2HE TYR 15 7.152 -2.329 -11.229 103 HH TYR 15 HH TYR 15 9.543 -2.256 -8.596 104 H CYS 16 H CYS 16 1.300 0.155 -7.347 105 HA CYS 16 HA CYS 16 2.251 -2.208 -5.934 106 1HB CYS 16 2HB CYS 16 1.820 0.143 -4.927 107 2HB CYS 16 1HB CYS 16 0.093 -0.271 -5.003 108 H LEU 17 H LEU 17 0.914 -4.047 -5.515 109 HA LEU 17 HA LEU 17 -1.477 -4.128 -7.224 110 1HB LEU 17 2HB LEU 17 0.866 -5.985 -6.988 111 2HB LEU 17 1HB LEU 17 -0.739 -6.717 -7.194 112 HG LEU 17 HG LEU 17 -1.121 -5.165 -9.190 113 1HD1 LEU 17 1HD1 LEU 17 0.979 -4.523 -10.449 114 2HD1 LEU 17 2HD1 LEU 17 1.947 -4.899 -8.975 115 3HD1 LEU 17 3HD1 LEU 17 0.751 -3.548 -8.960 116 1HD2 LEU 17 1HD2 LEU 17 -0.036 -6.747 -10.712 117 2HD2 LEU 17 2HD2 LEU 17 -0.718 -7.639 -9.304 118 3HD2 LEU 17 3HD2 LEU 17 1.065 -7.318 -9.405 119 H HIS 18 H HIS 18 -2.896 -5.894 -6.781 120 HA HIS 18 HA HIS 18 -4.526 -6.618 -5.643 121 1HB HIS 18 2HB HIS 18 -2.641 -8.203 -5.042 122 2HB HIS 18 1HB HIS 18 -2.640 -7.465 -3.418 123 HD1 HIS 18 1HD HIS 18 -4.750 -8.142 -1.931 124 HD2 HIS 18 2HD HIS 18 -4.879 -9.741 -5.806 125 HE1 HIS 18 1HE HIS 18 -6.553 -9.884 -1.941 126 HE2 HIS 18 2HE HIS 18 -6.633 -10.814 -4.291 127 H ASP 19 H ASP 19 -4.680 -4.028 -5.452 128 HA ASP 19 HA ASP 19 -5.490 -2.346 -4.413 129 1HB ASP 19 2HB ASP 19 -6.806 -4.436 -2.629 130 2HB ASP 19 1HB ASP 19 -7.282 -2.697 -2.701 131 H GLY 20 H GLY 20 -3.196 -1.894 -3.877 132 1HA GLY 20 2HA GLY 20 -2.441 -2.189 -1.124 133 2HA GLY 20 1HA GLY 20 -1.591 -1.352 -2.469 134 H VAL 21 H VAL 21 -1.869 -0.370 0.303 135 HA VAL 21 HA VAL 21 -3.819 1.737 0.033 136 HB VAL 21 HB VAL 21 -1.884 1.165 2.288 137 1HG1 VAL 21 1HG1 VAL 21 -4.380 2.990 2.018 138 2HG1 VAL 21 2HG1 VAL 21 -2.677 3.551 2.237 139 3HG1 VAL 21 3HG1 VAL 21 -3.497 2.640 3.549 140 1HG2 VAL 21 1HG2 VAL 21 -4.857 0.428 1.865 141 2HG2 VAL 21 2HG2 VAL 21 -3.944 0.247 3.404 142 3HG2 VAL 21 3HG2 VAL 21 -3.476 -0.732 1.971 143 H CYS 22 H CYS 22 -3.271 3.413 -1.211 144 HA CYS 22 HA CYS 22 -0.510 4.138 -1.610 145 1HB CYS 22 2HB CYS 22 -2.106 3.946 -3.482 146 2HB CYS 22 1HB CYS 22 -3.160 5.166 -2.741 147 H MET 23 H MET 23 0.471 5.454 -0.173 148 HA MET 23 HA MET 23 -1.051 7.820 0.689 149 1HB MET 23 2HB MET 23 1.072 6.311 2.270 150 2HB MET 23 1HB MET 23 0.374 7.916 2.690 151 1HG MET 23 2HG MET 23 -1.899 6.876 2.855 152 2HG MET 23 1HG MET 23 -1.189 5.277 2.487 153 1HE MET 23 1HE MET 23 -3.074 6.099 4.836 154 2HE MET 23 2HE MET 23 -2.386 5.217 6.239 155 3HE MET 23 3HE MET 23 -2.482 4.415 4.639 156 H TYR 24 H TYR 24 -0.407 9.117 -0.894 157 HA TYR 24 HA TYR 24 2.450 9.834 -0.958 158 1HB TYR 24 2HB TYR 24 1.610 9.620 -3.252 159 2HB TYR 24 1HB TYR 24 0.131 10.542 -2.820 160 HD1 TYR 24 1HD TYR 24 0.131 12.198 -4.223 161 HD2 TYR 24 2HD TYR 24 3.736 11.459 -2.087 162 HE1 TYR 24 1HE TYR 24 0.984 14.320 -4.962 163 HE2 TYR 24 2HE TYR 24 4.615 13.593 -2.821 164 HH TYR 24 HH TYR 24 4.016 15.680 -3.768 165 H ILE 25 H ILE 25 2.991 11.297 0.585 166 HA ILE 25 HA ILE 25 0.874 13.022 1.591 167 HB ILE 25 HB ILE 25 3.623 12.645 2.756 168 1HG1 ILE 25 2HG1 ILE 25 1.045 11.029 3.178 169 2HG1 ILE 25 1HG1 ILE 25 2.650 10.412 2.656 170 1HG2 ILE 25 1HG2 ILE 25 0.831 13.626 3.660 171 2HG2 ILE 25 2HG2 ILE 25 2.240 14.701 3.299 172 3HG2 ILE 25 3HG2 ILE 25 2.277 13.590 4.723 173 1HD1 ILE 25 1HD1 ILE 25 1.874 11.561 5.392 174 2HD1 ILE 25 2HD1 ILE 25 3.596 11.318 4.889 175 3HD1 ILE 25 3HD1 ILE 25 2.482 9.903 5.004 176 H GLU 26 H GLU 26 0.812 14.919 0.410 177 HA GLU 26 HA GLU 26 2.861 15.726 -1.274 178 1HB GLU 26 2HB GLU 26 0.443 16.133 -1.561 179 2HB GLU 26 1HB GLU 26 0.454 17.262 -0.171 180 1HG GLU 26 2HG GLU 26 1.980 18.808 -1.426 181 2HG GLU 26 1HG GLU 26 2.076 17.628 -2.786 182 H ALA 27 H ALA 27 1.952 16.829 1.955 183 HA ALA 27 HA ALA 27 3.686 18.950 2.207 184 1HB ALA 27 1HB ALA 27 3.253 18.623 4.664 185 2HB ALA 27 2HB ALA 27 2.598 16.972 4.308 186 3HB ALA 27 3HB ALA 27 1.758 18.437 3.693 187 H LEU 28 H LEU 28 4.311 15.532 3.057 188 HA LEU 28 HA LEU 28 6.971 16.245 3.934 189 1HB LEU 28 2HB LEU 28 5.495 13.582 3.837 190 2HB LEU 28 1HB LEU 28 7.230 13.739 4.229 191 HG LEU 28 HG LEU 28 6.380 15.589 5.944 192 1HD1 LEU 28 1HD1 LEU 28 4.262 14.860 7.084 193 2HD1 LEU 28 2HD1 LEU 28 4.020 13.622 5.807 194 3HD1 LEU 28 3HD1 LEU 28 3.952 15.380 5.374 195 1HD2 LEU 28 1HD2 LEU 28 6.318 12.538 6.400 196 2HD2 LEU 28 2HD2 LEU 28 6.470 13.788 7.697 197 3HD2 LEU 28 3HD2 LEU 28 7.765 13.611 6.457 198 H ASP 29 H ASP 29 5.416 15.278 1.060 199 HA ASP 29 HA ASP 29 5.990 15.408 -0.960 200 1HB ASP 29 2HB ASP 29 7.693 17.063 -0.223 201 2HB ASP 29 1HB ASP 29 8.891 15.745 -0.048 202 H LYS 30 H LYS 30 6.320 12.811 0.792 203 HA LYS 30 HA LYS 30 7.665 11.285 -1.338 204 1HB LYS 30 2HB LYS 30 7.682 10.545 1.599 205 2HB LYS 30 1HB LYS 30 8.622 9.812 0.261 206 1HG LYS 30 2HG LYS 30 8.930 12.614 1.446 207 2HG LYS 30 1HG LYS 30 10.046 11.250 1.684 208 1HD LYS 30 2HD LYS 30 10.823 11.353 -0.612 209 2HD LYS 30 1HD LYS 30 9.441 12.349 -1.111 210 1HE LYS 30 2HE LYS 30 10.320 14.192 0.541 211 2HE LYS 30 1HE LYS 30 11.854 13.242 0.575 212 1HZ LYS 30 1HZ LYS 30 11.689 13.385 -1.951 213 2HZ LYS 30 2HZ LYS 30 12.153 14.748 -1.092 214 3HZ LYS 30 3HZ LYS 30 10.580 14.648 -1.720 215 H TYR 31 H TYR 31 7.151 9.256 -1.776 216 HA TYR 31 HA TYR 31 4.293 8.687 -1.483 217 1HB TYR 31 2HB TYR 31 6.457 7.752 -3.467 218 2HB TYR 31 1HB TYR 31 4.785 7.114 -3.469 219 HD1 TYR 31 1HD TYR 31 3.169 8.128 -4.641 220 HD2 TYR 31 2HD TYR 31 6.759 10.251 -3.900 221 HE1 TYR 31 1HE TYR 31 2.546 9.775 -6.358 222 HE2 TYR 31 2HE TYR 31 6.142 11.912 -5.575 223 HH TYR 31 HH TYR 31 4.766 12.420 -7.225 224 H ALA 32 H ALA 32 3.545 6.732 -0.571 225 HA ALA 32 HA ALA 32 5.228 4.546 -1.173 226 1HB ALA 32 1HB ALA 32 5.326 3.537 1.127 227 2HB ALA 32 2HB ALA 32 4.432 4.963 1.782 228 3HB ALA 32 3HB ALA 32 6.102 5.156 1.149 229 H CYS 33 H CYS 33 4.325 2.524 -1.065 230 HA CYS 33 HA CYS 33 1.426 2.424 -0.648 231 1HB CYS 33 2HB CYS 33 2.327 1.611 -2.872 232 2HB CYS 33 1HB CYS 33 3.258 0.366 -1.999 233 H ASN 34 H ASN 34 0.629 1.054 0.948 234 HA ASN 34 HA ASN 34 2.566 -0.683 2.319 235 1HB ASN 34 2HB ASN 34 1.844 1.214 3.783 236 2HB ASN 34 1HB ASN 34 0.136 0.746 3.523 237 1HD2 ASN 34 1HD2 ASN 34 -0.567 -0.142 5.415 238 2HD2 ASN 34 2HD2 ASN 34 0.219 -1.422 6.290 239 H CYS 35 H CYS 35 1.988 -2.789 2.580 240 HA CYS 35 HA CYS 35 -0.536 -3.613 1.378 241 1HB CYS 35 2HB CYS 35 0.552 -5.404 0.218 242 2HB CYS 35 1HB CYS 35 1.325 -3.856 -0.205 243 H VAL 36 H VAL 36 -0.711 -6.146 1.803 244 HA VAL 36 HA VAL 36 -1.198 -6.256 4.599 245 HB VAL 36 HB VAL 36 -1.626 -8.387 2.498 246 1HG1 VAL 36 1HG1 VAL 36 -2.996 -7.764 5.201 247 2HG1 VAL 36 2HG1 VAL 36 -2.107 -9.272 4.736 248 3HG1 VAL 36 3HG1 VAL 36 -3.660 -8.875 3.956 249 1HG2 VAL 36 1HG2 VAL 36 -3.365 -5.943 3.215 250 2HG2 VAL 36 2HG2 VAL 36 -3.928 -7.365 2.274 251 3HG2 VAL 36 3HG2 VAL 36 -2.637 -6.323 1.600 252 H VAL 37 H VAL 37 -0.675 -8.121 5.926 253 HA VAL 37 HA VAL 37 2.042 -8.882 5.800 254 HB VAL 37 HB VAL 37 0.988 -8.356 7.867 255 1HG1 VAL 37 1HG1 VAL 37 -0.846 -10.791 7.389 256 2HG1 VAL 37 2HG1 VAL 37 -1.361 -9.061 7.404 257 3HG1 VAL 37 3HG1 VAL 37 -0.727 -9.826 8.895 258 1HG2 VAL 37 1HG2 VAL 37 1.715 -10.275 9.207 259 2HG2 VAL 37 2HG2 VAL 37 2.885 -10.008 7.868 260 3HG2 VAL 37 3HG2 VAL 37 1.688 -11.361 7.784 261 H GLY 38 H GLY 38 2.971 -10.775 5.220 262 1HA GLY 38 2HA GLY 38 3.150 -12.898 4.590 263 2HA GLY 38 1HA GLY 38 1.360 -13.074 4.624 264 H TYR 39 H TYR 39 2.630 -10.416 2.873 265 HA TYR 39 HA TYR 39 2.368 -11.845 0.328 266 1HB TYR 39 2HB TYR 39 1.363 -9.046 1.105 267 2HB TYR 39 1HB TYR 39 1.587 -9.582 -0.605 268 HD1 TYR 39 1HD TYR 39 0.092 -11.068 -1.628 269 HD2 TYR 39 2HD TYR 39 -0.267 -10.269 2.527 270 HE1 TYR 39 1HE TYR 39 -2.086 -12.187 -1.603 271 HE2 TYR 39 2HE TYR 39 -2.418 -11.428 2.571 272 HH TYR 39 HH TYR 39 -3.789 -12.907 -0.356 273 H ILE 40 H ILE 40 4.181 -11.840 -0.779 274 HA ILE 40 HA ILE 40 6.300 -9.999 0.083 275 HB ILE 40 HB ILE 40 7.879 -11.854 -0.374 276 1HG1 ILE 40 2HG1 ILE 40 5.334 -13.581 -0.348 277 2HG1 ILE 40 1HG1 ILE 40 6.267 -13.175 -1.825 278 1HG2 ILE 40 1HG2 ILE 40 7.486 -12.888 1.816 279 2HG2 ILE 40 2HG2 ILE 40 5.770 -12.346 1.817 280 3HG2 ILE 40 3HG2 ILE 40 7.105 -11.134 1.905 281 1HD1 ILE 40 1HD1 ILE 40 8.308 -14.277 -0.849 282 2HD1 ILE 40 2HD1 ILE 40 6.920 -15.413 -1.017 283 3HD1 ILE 40 3HD1 ILE 40 7.347 -14.755 0.599 284 H GLY 41 H GLY 41 8.198 -10.111 -1.559 285 1HA GLY 41 2HA GLY 41 8.801 -9.578 -3.681 286 2HA GLY 41 1HA GLY 41 7.079 -9.558 -4.207 287 H GLU 42 H GLU 42 8.706 -7.418 -4.961 288 HA GLU 42 HA GLU 42 8.903 -5.446 -3.023 289 1HB GLU 42 2HB GLU 42 9.708 -4.046 -4.719 290 2HB GLU 42 1HB GLU 42 10.378 -5.666 -4.990 291 1HG GLU 42 2HG GLU 42 8.041 -4.409 -6.588 292 2HG GLU 42 1HG GLU 42 9.761 -4.396 -7.047 293 H ARG 43 H ARG 43 6.456 -6.132 -5.472 294 HA ARG 43 HA ARG 43 4.821 -3.943 -4.387 295 1HB ARG 43 2HB ARG 43 3.573 -4.040 -6.480 296 2HB ARG 43 1HB ARG 43 5.302 -3.688 -6.699 297 1HG ARG 43 2HG ARG 43 5.597 -6.216 -7.301 298 2HG ARG 43 1HG ARG 43 3.805 -6.255 -7.415 299 1HD ARG 43 2HD ARG 43 4.008 -4.243 -9.041 300 2HD ARG 43 1HD ARG 43 5.787 -4.417 -8.952 301 HE ARG 43 HE ARG 43 3.807 -6.254 -10.269 302 1HH1 ARG 43 1HH1 ARG 43 7.386 -5.891 -9.743 303 2HH1 ARG 43 2HH1 ARG 43 7.591 -5.880 -11.468 304 1HH2 ARG 43 1HH2 ARG 43 4.321 -6.824 -12.227 305 2HH2 ARG 43 2HH2 ARG 43 5.995 -6.985 -12.734 306 H CYS 44 H CYS 44 5.306 -6.655 -3.241 307 HA CYS 44 HA CYS 44 4.244 -8.108 -2.069 308 1HB CYS 44 2HB CYS 44 1.902 -6.174 -2.040 309 2HB CYS 44 1HB CYS 44 2.341 -7.386 -0.791 310 H GLN 45 H GLN 45 4.022 -8.954 -4.656 311 HA GLN 45 HA GLN 45 1.257 -9.374 -5.251 312 1HB GLN 45 2HB GLN 45 3.429 -8.965 -6.759 313 2HB GLN 45 1HB GLN 45 3.465 -10.748 -6.788 314 1HG GLN 45 2HG GLN 45 0.953 -10.634 -7.510 315 2HG GLN 45 1HG GLN 45 1.166 -8.850 -7.634 316 1HE2 GLN 45 1HE2 GLN 45 3.825 -8.792 -8.748 317 2HE2 GLN 45 2HE2 GLN 45 3.739 -9.457 -10.354 318 H TYR 46 H TYR 46 3.934 -11.483 -4.127 319 HA TYR 46 HA TYR 46 2.308 -13.792 -4.694 320 1HB TYR 46 2HB TYR 46 5.060 -13.839 -3.383 321 2HB TYR 46 1HB TYR 46 4.262 -15.122 -4.354 322 HD1 TYR 46 1HD TYR 46 6.568 -12.498 -4.376 323 HD2 TYR 46 2HD TYR 46 3.626 -14.353 -6.817 324 HE1 TYR 46 1HE TYR 46 7.664 -11.599 -6.364 325 HE2 TYR 46 2HE TYR 46 4.707 -13.439 -8.819 326 HH TYR 46 HH TYR 46 7.876 -12.032 -8.620 327 H ARG 47 H ARG 47 1.494 -15.258 -3.189 328 HA ARG 47 HA ARG 47 1.238 -14.134 -0.497 329 1HB ARG 47 2HB ARG 47 -0.609 -16.096 -0.535 330 2HB ARG 47 1HB ARG 47 -0.921 -14.408 -0.952 331 1HG ARG 47 2HG ARG 47 -0.150 -16.410 -3.126 332 2HG ARG 47 1HG ARG 47 -1.810 -16.305 -2.485 333 1HD ARG 47 2HD ARG 47 -2.101 -13.991 -3.179 334 2HD ARG 47 1HD ARG 47 -0.376 -13.864 -3.692 335 HE ARG 47 HE ARG 47 -2.108 -16.007 -4.954 336 1HH1 ARG 47 1HH1 ARG 47 -0.308 -12.897 -5.499 337 2HH1 ARG 47 2HH1 ARG 47 -0.425 -13.152 -7.185 338 1HH2 ARG 47 1HH2 ARG 47 -2.437 -15.985 -7.137 339 2HH2 ARG 47 2HH2 ARG 47 -1.947 -14.599 -8.057 340 H ASP 48 H ASP 48 2.353 -14.985 1.107 341 HA ASP 48 HA ASP 48 3.820 -17.409 0.567 342 1HB ASP 48 2HB ASP 48 4.861 -15.204 1.309 343 2HB ASP 48 1HB ASP 48 4.071 -15.432 2.909 344 H LEU 49 H LEU 49 2.279 -19.031 0.800 345 HA LEU 49 HA LEU 49 0.470 -18.890 2.985 346 1HB LEU 49 2HB LEU 49 0.844 -20.958 0.787 347 2HB LEU 49 1HB LEU 49 -0.546 -20.896 1.912 348 HG LEU 49 HG LEU 49 0.198 -18.658 -0.058 349 1HD1 LEU 49 1HD1 LEU 49 -2.008 -20.800 -0.191 350 2HD1 LEU 49 2HD1 LEU 49 -0.526 -20.736 -1.219 351 3HD1 LEU 49 3HD1 LEU 49 -1.780 -19.440 -1.353 352 1HD2 LEU 49 1HD2 LEU 49 -1.046 -17.732 1.881 353 2HD2 LEU 49 2HD2 LEU 49 -2.269 -19.060 1.756 354 3HD2 LEU 49 3HD2 LEU 49 -2.132 -17.830 0.452 355 H LYS 50 H LYS 50 3.528 -19.826 3.345 356 HA LYS 50 HA LYS 50 3.206 -22.391 4.451 357 1HB LYS 50 2HB LYS 50 5.426 -20.325 4.842 358 2HB LYS 50 1HB LYS 50 5.420 -21.958 5.572 359 1HG LYS 50 2HG LYS 50 6.602 -22.520 3.814 360 2HG LYS 50 1HG LYS 50 5.014 -22.765 3.037 361 1HD LYS 50 2HD LYS 50 5.219 -20.528 1.924 362 2HD LYS 50 1HD LYS 50 6.645 -20.152 2.940 363 1HE LYS 50 2HE LYS 50 7.806 -22.219 1.900 364 2HE LYS 50 1HE LYS 50 6.475 -22.234 0.672 365 1HZ LYS 50 1HZ LYS 50 8.324 -21.005 -0.141 366 2HZ LYS 50 2HZ LYS 50 8.443 -20.077 1.250 367 3HZ LYS 50 3HZ LYS 50 7.113 -19.864 0.203 368 H TRP 51 H TRP 51 3.229 -19.174 5.989 369 HA TRP 51 HA TRP 51 2.942 -20.334 8.580 370 1HB TRP 51 2HB TRP 51 2.839 -18.096 9.426 371 2HB TRP 51 1HB TRP 51 4.142 -18.212 8.202 372 HD1 TRP 51 HD TRP 51 3.624 -16.895 5.767 373 HE1 TRP 51 1HE TRP 51 2.023 -14.981 5.237 374 HE3 TRP 51 3HE TRP 51 0.855 -16.980 10.028 375 HZ2 TRP 51 2HZ TRP 51 0.092 -13.436 6.640 376 HZ3 TRP 51 3HZ TRP 51 -0.836 -15.245 10.374 377 HH2 TRP 51 HH TRP 51 -1.211 -13.506 8.719 378 H TRP 52 H TRP 52 0.743 -19.066 6.177 379 HA TRP 52 HA TRP 52 -1.516 -18.848 7.758 380 1HB TRP 52 2HB TRP 52 -1.152 -19.450 4.785 381 2HB TRP 52 1HB TRP 52 -2.769 -19.254 5.524 382 HD1 TRP 52 HD TRP 52 -0.197 -17.063 3.920 383 HE1 TRP 52 1HE TRP 52 -1.006 -14.634 4.158 384 HE3 TRP 52 3HE TRP 52 -3.682 -17.744 7.553 385 HZ2 TRP 52 2HZ TRP 52 -2.884 -13.215 5.687 386 HZ3 TRP 52 3HZ TRP 52 -4.899 -15.799 8.398 387 HH2 TRP 52 HH TRP 52 -4.509 -13.578 7.491 388 H GLU 53 H GLU 53 -0.167 -21.796 6.334 389 HA GLU 53 HA GLU 53 -2.359 -23.236 7.675 390 1HB GLU 53 2HB GLU 53 -2.268 -23.450 5.135 391 2HB GLU 53 1HB GLU 53 -0.714 -24.286 5.348 392 1HG GLU 53 2HG GLU 53 -2.405 -25.978 5.123 393 2HG GLU 53 1HG GLU 53 -1.980 -25.994 6.867 394 H LEU 54 H LEU 54 -1.124 -22.782 9.594 395 HA LEU 54 HA LEU 54 0.667 -24.937 10.198 396 1HB LEU 54 2HB LEU 54 1.928 -22.882 9.183 397 2HB LEU 54 1HB LEU 54 1.574 -22.060 10.719 398 HG LEU 54 HG LEU 54 2.969 -24.803 10.541 399 1HD1 LEU 54 1HD1 LEU 54 4.238 -23.196 9.125 400 2HD1 LEU 54 2HD1 LEU 54 5.154 -23.605 10.626 401 3HD1 LEU 54 3HD1 LEU 54 4.297 -22.020 10.492 402 1HD2 LEU 54 1HD2 LEU 54 2.193 -24.210 12.824 403 2HD2 LEU 54 2HD2 LEU 54 2.996 -22.595 12.696 404 3HD2 LEU 54 3HD2 LEU 54 3.992 -24.101 12.742 Start of MODEL 33 1 1H VAL 1 1HT VAL 1 7.102 18.308 8.230 2 2H VAL 1 2HT VAL 1 6.481 17.641 6.810 3 3H VAL 1 3HT VAL 1 6.274 16.855 8.283 4 HA VAL 1 HA VAL 1 4.755 18.309 9.091 5 HB VAL 1 HB VAL 1 6.035 20.300 8.589 6 1HG1 VAL 1 1HG1 VAL 1 5.786 21.480 6.430 7 2HG1 VAL 1 2HG1 VAL 1 4.867 20.114 5.734 8 3HG1 VAL 1 3HG1 VAL 1 6.604 19.904 6.184 9 1HG2 VAL 1 1HG2 VAL 1 3.664 20.489 9.374 10 2HG2 VAL 1 2HG2 VAL 1 3.104 20.567 7.658 11 3HG2 VAL 1 3HG2 VAL 1 4.166 21.845 8.318 12 H VAL 2 H VAL 2 2.495 18.082 8.705 13 HA VAL 2 HA VAL 2 1.727 17.524 5.975 14 HB VAL 2 HB VAL 2 2.198 15.373 7.032 15 1HG1 VAL 2 1HG1 VAL 2 0.005 16.149 9.067 16 2HG1 VAL 2 2HG1 VAL 2 1.763 15.961 9.428 17 3HG1 VAL 2 3HG1 VAL 2 0.785 14.549 8.900 18 1HG2 VAL 2 1HG2 VAL 2 -0.818 15.864 6.591 19 2HG2 VAL 2 2HG2 VAL 2 0.053 14.303 6.474 20 3HG2 VAL 2 3HG2 VAL 2 0.404 15.606 5.285 21 H SER 3 H SER 3 -0.409 18.248 5.511 22 HA SER 3 HA SER 3 -1.432 19.991 7.654 23 1HB SER 3 2HB SER 3 -0.574 20.975 5.434 24 2HB SER 3 1HB SER 3 -2.045 20.285 4.685 25 HG SER 3 HG SER 3 -2.446 22.373 5.386 26 H HIS 4 H HIS 4 -2.571 17.901 4.946 27 HA HIS 4 HA HIS 4 -4.718 17.001 6.732 28 1HB HIS 4 2HB HIS 4 -4.947 17.605 3.734 29 2HB HIS 4 1HB HIS 4 -6.084 16.538 4.606 30 HD1 HIS 4 1HD HIS 4 -7.004 17.947 7.019 31 HD2 HIS 4 2HD HIS 4 -6.438 19.853 3.322 32 HE1 HIS 4 1HE HIS 4 -8.493 19.944 7.002 33 HE2 HIS 4 2HE HIS 4 -8.195 21.038 4.744 34 H PHE 5 H PHE 5 -5.394 14.806 6.265 35 HA PHE 5 HA PHE 5 -3.200 13.232 5.136 36 1HB PHE 5 2HB PHE 5 -5.186 12.820 7.299 37 2HB PHE 5 1HB PHE 5 -5.178 11.441 6.148 38 HD1 PHE 5 1HD PHE 5 -3.332 13.145 8.753 39 HD2 PHE 5 2HD PHE 5 -3.074 10.316 5.597 40 HE1 PHE 5 1HE PHE 5 -1.272 12.248 9.730 41 HE2 PHE 5 2HE PHE 5 -1.000 9.427 6.562 42 HZ PHE 5 HZ PHE 5 -0.096 10.390 8.625 43 H ASN 6 H ASN 6 -3.266 12.613 3.144 44 HA ASN 6 HA ASN 6 -5.850 12.249 1.807 45 1HB ASN 6 2HB ASN 6 -3.255 13.588 0.820 46 2HB ASN 6 1HB ASN 6 -4.534 13.018 -0.298 47 1HD2 ASN 6 1HD2 ASN 6 -5.664 14.734 -1.055 48 2HD2 ASN 6 2HD2 ASN 6 -6.125 16.119 -0.107 49 H ASP 7 H ASP 7 -5.658 10.828 -0.078 50 HA ASP 7 HA ASP 7 -3.823 8.612 0.406 51 1HB ASP 7 2HB ASP 7 -6.213 8.938 -1.513 52 2HB ASP 7 1HB ASP 7 -5.272 7.422 -1.273 53 H CYS 8 H CYS 8 -3.430 7.661 -2.130 54 HA CYS 8 HA CYS 8 -1.783 9.409 -3.516 55 1HB CYS 8 2HB CYS 8 -3.353 6.964 -4.403 56 2HB CYS 8 1HB CYS 8 -2.192 7.816 -5.457 57 HA PRO 9 HA PRO 9 -5.209 11.837 -4.558 58 1HB PRO 9 2HB PRO 9 -3.291 13.263 -6.484 59 2HB PRO 9 1HB PRO 9 -4.517 13.992 -5.371 60 1HG PRO 9 2HG PRO 9 -1.903 13.874 -4.579 61 2HG PRO 9 1HG PRO 9 -3.179 13.318 -3.413 62 1HD PRO 9 2HD PRO 9 -1.466 11.571 -5.278 63 2HD PRO 9 1HD PRO 9 -1.822 11.394 -3.504 64 H LEU 10 H LEU 10 -3.479 11.369 -7.662 65 HA LEU 10 HA LEU 10 -5.809 11.944 -9.078 66 1HB LEU 10 2HB LEU 10 -4.540 11.568 -11.093 67 2HB LEU 10 1HB LEU 10 -3.631 12.496 -9.873 68 HG LEU 10 HG LEU 10 -2.686 9.975 -9.298 69 1HD1 LEU 10 1HD1 LEU 10 -2.163 8.847 -11.476 70 2HD1 LEU 10 2HD1 LEU 10 -3.202 10.033 -12.349 71 3HD1 LEU 10 3HD1 LEU 10 -3.940 8.879 -11.188 72 1HD2 LEU 10 1HD2 LEU 10 -1.643 11.941 -11.431 73 2HD2 LEU 10 2HD2 LEU 10 -0.676 10.637 -10.633 74 3HD2 LEU 10 3HD2 LEU 10 -1.324 12.008 -9.661 75 H SER 11 H SER 11 -4.399 8.835 -8.239 76 HA SER 11 HA SER 11 -6.965 7.614 -8.733 77 1HB SER 11 2HB SER 11 -5.598 7.192 -10.870 78 2HB SER 11 1HB SER 11 -4.384 6.351 -9.853 79 HG SER 11 HG SER 11 -5.639 4.698 -10.138 80 H HIS 12 H HIS 12 -7.239 5.781 -7.346 81 HA HIS 12 HA HIS 12 -5.408 5.683 -5.113 82 1HB HIS 12 2HB HIS 12 -7.922 5.511 -4.818 83 2HB HIS 12 1HB HIS 12 -7.908 4.002 -5.764 84 HD1 HIS 12 1HD HIS 12 -7.229 5.398 -2.407 85 HD2 HIS 12 2HD HIS 12 -6.766 1.712 -4.333 86 HE1 HIS 12 1HE HIS 12 -6.478 3.761 -0.652 87 HE2 HIS 12 2HE HIS 12 -6.415 1.489 -1.839 88 H ASP 13 H ASP 13 -6.444 3.645 -7.863 89 HA ASP 13 HA ASP 13 -4.342 1.753 -7.096 90 1HB ASP 13 2HB ASP 13 -6.957 1.351 -8.611 91 2HB ASP 13 1HB ASP 13 -5.594 0.174 -8.759 92 H GLY 14 H GLY 14 -2.993 0.860 -8.454 93 1HA GLY 14 2HA GLY 14 -2.688 1.238 -11.126 94 2HA GLY 14 1HA GLY 14 -1.841 2.622 -10.323 95 H TYR 15 H TYR 15 -0.572 1.853 -8.316 96 HA TYR 15 HA TYR 15 1.423 0.146 -9.476 97 1HB TYR 15 2HB TYR 15 1.902 2.434 -8.620 98 2HB TYR 15 1HB TYR 15 1.439 1.914 -6.969 99 HD1 TYR 15 1HD TYR 15 3.888 1.452 -9.711 100 HD2 TYR 15 2HD TYR 15 2.894 0.581 -5.677 101 HE1 TYR 15 1HE TYR 15 6.161 0.652 -9.334 102 HE2 TYR 15 2HE TYR 15 5.150 -0.292 -5.299 103 HH TYR 15 HH TYR 15 7.660 -0.011 -7.784 104 H CYS 16 H CYS 16 -0.328 0.150 -6.306 105 HA CYS 16 HA CYS 16 1.306 -2.094 -5.539 106 1HB CYS 16 2HB CYS 16 -0.959 -0.742 -4.002 107 2HB CYS 16 1HB CYS 16 0.156 -1.990 -3.368 108 H LEU 17 H LEU 17 0.773 -4.185 -5.366 109 HA LEU 17 HA LEU 17 -1.736 -5.009 -6.510 110 1HB LEU 17 2HB LEU 17 0.861 -6.423 -5.804 111 2HB LEU 17 1HB LEU 17 -0.622 -7.331 -6.192 112 HG LEU 17 HG LEU 17 -0.791 -6.024 -8.362 113 1HD1 LEU 17 1HD1 LEU 17 2.166 -5.399 -7.721 114 2HD1 LEU 17 2HD1 LEU 17 0.856 -4.199 -8.013 115 3HD1 LEU 17 3HD1 LEU 17 1.404 -5.257 -9.356 116 1HD2 LEU 17 1HD2 LEU 17 0.739 -7.620 -9.506 117 2HD2 LEU 17 2HD2 LEU 17 -0.182 -8.417 -8.180 118 3HD2 LEU 17 3HD2 LEU 17 1.550 -7.978 -7.935 119 H HIS 18 H HIS 18 -2.621 -7.081 -5.498 120 HA HIS 18 HA HIS 18 -4.193 -7.612 -4.109 121 1HB HIS 18 2HB HIS 18 -1.833 -7.711 -2.208 122 2HB HIS 18 1HB HIS 18 -3.392 -8.573 -1.956 123 HD1 HIS 18 1HD HIS 18 -4.024 -10.245 -4.204 124 HD2 HIS 18 2HD HIS 18 -0.010 -9.463 -3.226 125 HE1 HIS 18 1HE HIS 18 -2.671 -12.051 -5.226 126 HE2 HIS 18 2HE HIS 18 -0.265 -11.584 -4.625 127 H ASP 19 H ASP 19 -4.530 -4.912 -4.267 128 HA ASP 19 HA ASP 19 -5.593 -3.271 -3.389 129 1HB ASP 19 2HB ASP 19 -6.413 -5.327 -1.294 130 2HB ASP 19 1HB ASP 19 -7.004 -3.634 -1.250 131 H GLY 20 H GLY 20 -2.798 -3.364 -2.822 132 1HA GLY 20 2HA GLY 20 -2.308 -2.460 -0.253 133 2HA GLY 20 1HA GLY 20 -1.340 -2.116 -1.721 134 H VAL 21 H VAL 21 -2.442 -0.612 0.808 135 HA VAL 21 HA VAL 21 -3.972 1.520 -0.384 136 HB VAL 21 HB VAL 21 -3.022 0.986 2.453 137 1HG1 VAL 21 1HG1 VAL 21 -3.465 3.439 2.099 138 2HG1 VAL 21 2HG1 VAL 21 -4.752 2.683 3.092 139 3HG1 VAL 21 3HG1 VAL 21 -5.061 3.037 1.358 140 1HG2 VAL 21 1HG2 VAL 21 -5.421 0.348 2.827 141 2HG2 VAL 21 2HG2 VAL 21 -4.640 -0.751 1.642 142 3HG2 VAL 21 3HG2 VAL 21 -5.750 0.560 1.072 143 H CYS 22 H CYS 22 -2.786 3.107 -1.464 144 HA CYS 22 HA CYS 22 -0.100 3.610 -0.452 145 1HB CYS 22 2HB CYS 22 0.485 4.483 -2.541 146 2HB CYS 22 1HB CYS 22 -0.341 2.931 -2.778 147 H MET 23 H MET 23 0.673 5.463 0.298 148 HA MET 23 HA MET 23 -0.875 7.902 -0.161 149 1HB MET 23 2HB MET 23 0.441 7.053 2.475 150 2HB MET 23 1HB MET 23 -0.142 8.711 2.103 151 1HG MET 23 2HG MET 23 -2.458 7.876 1.873 152 2HG MET 23 1HG MET 23 -1.921 6.211 2.242 153 1HE MET 23 1HE MET 23 -4.183 8.110 3.555 154 2HE MET 23 2HE MET 23 -4.103 7.482 5.238 155 3HE MET 23 3HE MET 23 -3.942 6.355 3.849 156 H TYR 24 H TYR 24 0.454 8.920 -1.574 157 HA TYR 24 HA TYR 24 3.197 9.458 -0.710 158 1HB TYR 24 2HB TYR 24 3.036 9.108 -3.134 159 2HB TYR 24 1HB TYR 24 1.615 10.216 -3.232 160 HD1 TYR 24 1HD TYR 24 5.288 10.127 -2.519 161 HD2 TYR 24 2HD TYR 24 1.864 12.417 -3.578 162 HE1 TYR 24 1HE TYR 24 6.720 12.007 -3.038 163 HE2 TYR 24 2HE TYR 24 3.281 14.305 -4.116 164 HH TYR 24 HH TYR 24 6.833 14.181 -3.739 165 H ILE 25 H ILE 25 3.640 11.216 0.544 166 HA ILE 25 HA ILE 25 1.461 13.123 0.906 167 HB ILE 25 HB ILE 25 3.832 12.499 2.698 168 1HG1 ILE 25 2HG1 ILE 25 1.682 11.805 4.165 169 2HG1 ILE 25 1HG1 ILE 25 1.014 11.382 2.566 170 1HG2 ILE 25 1HG2 ILE 25 2.446 13.918 4.281 171 2HG2 ILE 25 2HG2 ILE 25 1.274 14.221 2.943 172 3HG2 ILE 25 3HG2 ILE 25 2.973 14.837 2.825 173 1HD1 ILE 25 1HD1 ILE 25 3.681 10.308 3.742 174 2HD1 ILE 25 2HD1 ILE 25 2.952 9.815 2.178 175 3HD1 ILE 25 3HD1 ILE 25 2.111 9.414 3.706 176 H GLU 26 H GLU 26 1.766 14.887 -0.309 177 HA GLU 26 HA GLU 26 4.085 15.276 -1.756 178 1HB GLU 26 2HB GLU 26 1.763 15.832 -2.402 179 2HB GLU 26 1HB GLU 26 1.727 17.156 -1.218 180 1HG GLU 26 2HG GLU 26 3.751 17.017 -3.565 181 2HG GLU 26 1HG GLU 26 2.106 17.704 -3.728 182 H ALA 27 H ALA 27 2.919 16.970 1.129 183 HA ALA 27 HA ALA 27 4.867 18.903 1.309 184 1HB ALA 27 1HB ALA 27 4.190 18.988 3.714 185 2HB ALA 27 2HB ALA 27 3.434 17.368 3.570 186 3HB ALA 27 3HB ALA 27 2.744 18.773 2.666 187 H LEU 28 H LEU 28 5.114 15.485 2.126 188 HA LEU 28 HA LEU 28 7.606 15.922 3.560 189 1HB LEU 28 2HB LEU 28 6.193 13.303 2.839 190 2HB LEU 28 1HB LEU 28 7.558 13.525 3.982 191 HG LEU 28 HG LEU 28 4.677 14.514 4.298 192 1HD1 LEU 28 1HD1 LEU 28 6.336 12.448 5.883 193 2HD1 LEU 28 2HD1 LEU 28 5.060 12.051 4.674 194 3HD1 LEU 28 3HD1 LEU 28 4.623 12.910 6.199 195 1HD2 LEU 28 1HD2 LEU 28 7.083 14.961 6.166 196 2HD2 LEU 28 2HD2 LEU 28 5.350 15.234 6.598 197 3HD2 LEU 28 3HD2 LEU 28 6.104 16.221 5.295 198 H ASP 29 H ASP 29 6.370 14.669 0.528 199 HA ASP 29 HA ASP 29 7.133 13.851 -1.256 200 1HB ASP 29 2HB ASP 29 8.769 15.760 -1.289 201 2HB ASP 29 1HB ASP 29 9.994 14.659 -0.566 202 H LYS 30 H LYS 30 6.912 12.442 1.276 203 HA LYS 30 HA LYS 30 8.522 10.065 0.633 204 1HB LYS 30 2HB LYS 30 7.356 10.871 3.352 205 2HB LYS 30 1HB LYS 30 8.333 9.414 2.990 206 1HG LYS 30 2HG LYS 30 9.288 12.328 2.987 207 2HG LYS 30 1HG LYS 30 9.711 11.027 4.144 208 1HD LYS 30 2HD LYS 30 10.756 9.744 2.192 209 2HD LYS 30 1HD LYS 30 10.386 11.154 1.156 210 1HE LYS 30 2HE LYS 30 11.811 12.609 2.747 211 2HE LYS 30 1HE LYS 30 12.366 11.076 3.531 212 1HZ LYS 30 1HZ LYS 30 12.664 11.904 0.689 213 2HZ LYS 30 2HZ LYS 30 13.011 10.362 1.209 214 3HZ LYS 30 3HZ LYS 30 13.902 11.682 1.832 215 H TYR 31 H TYR 31 7.499 8.032 0.933 216 HA TYR 31 HA TYR 31 4.604 8.177 1.126 217 1HB TYR 31 2HB TYR 31 4.009 7.200 -0.891 218 2HB TYR 31 1HB TYR 31 5.147 8.523 -1.270 219 HD1 TYR 31 1HD TYR 31 4.374 5.117 -1.634 220 HD2 TYR 31 2HD TYR 31 7.571 7.891 -1.717 221 HE1 TYR 31 1HE TYR 31 5.627 3.576 -3.038 222 HE2 TYR 31 2HE TYR 31 8.887 6.346 -3.115 223 HH TYR 31 HH TYR 31 7.612 3.213 -4.177 224 H ALA 32 H ALA 32 3.460 6.172 1.167 225 HA ALA 32 HA ALA 32 4.999 3.838 1.903 226 1HB ALA 32 1HB ALA 32 3.710 3.564 4.076 227 2HB ALA 32 2HB ALA 32 3.013 5.209 3.819 228 3HB ALA 32 3HB ALA 32 4.779 5.010 4.091 229 H CYS 33 H CYS 33 4.048 2.059 1.082 230 HA CYS 33 HA CYS 33 1.157 2.189 0.593 231 1HB CYS 33 2HB CYS 33 2.682 1.829 -1.421 232 2HB CYS 33 1HB CYS 33 3.076 0.232 -0.733 233 H ASN 34 H ASN 34 -0.061 1.024 1.962 234 HA ASN 34 HA ASN 34 1.329 -0.850 3.727 235 1HB ASN 34 2HB ASN 34 0.002 1.090 4.635 236 2HB ASN 34 1HB ASN 34 -1.475 0.398 3.897 237 1HD2 ASN 34 1HD2 ASN 34 -2.693 -0.538 5.562 238 2HD2 ASN 34 2HD2 ASN 34 -2.022 -1.499 6.844 239 H CYS 35 H CYS 35 0.902 -3.006 3.795 240 HA CYS 35 HA CYS 35 -1.155 -4.012 1.965 241 1HB CYS 35 2HB CYS 35 1.398 -4.162 1.340 242 2HB CYS 35 1HB CYS 35 1.451 -5.469 2.559 243 H VAL 36 H VAL 36 -1.845 -6.294 2.549 244 HA VAL 36 HA VAL 36 -2.372 -6.353 5.351 245 HB VAL 36 HB VAL 36 -3.156 -8.744 3.824 246 1HG1 VAL 36 1HG1 VAL 36 -3.975 -8.221 6.161 247 2HG1 VAL 36 2HG1 VAL 36 -5.302 -8.206 4.955 248 3HG1 VAL 36 3HG1 VAL 36 -4.633 -6.649 5.555 249 1HG2 VAL 36 1HG2 VAL 36 -4.191 -5.950 3.043 250 2HG2 VAL 36 2HG2 VAL 36 -5.025 -7.504 2.702 251 3HG2 VAL 36 3HG2 VAL 36 -3.420 -7.194 1.968 252 H VAL 37 H VAL 37 -2.251 -8.603 6.498 253 HA VAL 37 HA VAL 37 0.444 -9.435 6.514 254 HB VAL 37 HB VAL 37 -0.850 -9.295 8.514 255 1HG1 VAL 37 1HG1 VAL 37 -2.615 -10.974 9.037 256 2HG1 VAL 37 2HG1 VAL 37 -2.553 -11.605 7.363 257 3HG1 VAL 37 3HG1 VAL 37 -3.115 -9.918 7.670 258 1HG2 VAL 37 1HG2 VAL 37 -0.191 -11.446 9.504 259 2HG2 VAL 37 2HG2 VAL 37 1.089 -10.897 8.358 260 3HG2 VAL 37 3HG2 VAL 37 -0.060 -12.219 7.899 261 H GLY 38 H GLY 38 1.423 -11.211 5.672 262 1HA GLY 38 2HA GLY 38 1.561 -13.256 4.748 263 2HA GLY 38 1HA GLY 38 -0.219 -13.308 4.553 264 H TYR 39 H TYR 39 1.397 -10.519 3.361 265 HA TYR 39 HA TYR 39 1.616 -11.633 0.677 266 1HB TYR 39 2HB TYR 39 0.336 -8.923 1.410 267 2HB TYR 39 1HB TYR 39 0.725 -9.468 -0.265 268 HD1 TYR 39 1HD TYR 39 -1.650 -9.604 2.410 269 HD2 TYR 39 2HD TYR 39 -0.371 -11.543 -1.138 270 HE1 TYR 39 1HE TYR 39 -3.807 -10.749 2.275 271 HE2 TYR 39 2HE TYR 39 -2.534 -12.689 -1.297 272 HH TYR 39 HH TYR 39 -5.043 -12.300 1.178 273 H ILE 40 H ILE 40 3.516 -11.066 -0.279 274 HA ILE 40 HA ILE 40 5.183 -9.117 1.135 275 HB ILE 40 HB ILE 40 7.099 -10.625 1.038 276 1HG1 ILE 40 2HG1 ILE 40 4.982 -12.716 0.250 277 2HG1 ILE 40 1HG1 ILE 40 6.386 -12.151 -0.727 278 1HG2 ILE 40 1HG2 ILE 40 5.663 -10.208 3.074 279 2HG2 ILE 40 2HG2 ILE 40 6.507 -11.794 3.067 280 3HG2 ILE 40 3HG2 ILE 40 4.748 -11.718 2.681 281 1HD1 ILE 40 1HD1 ILE 40 6.516 -13.761 1.906 282 2HD1 ILE 40 2HD1 ILE 40 7.943 -13.072 1.042 283 3HD1 ILE 40 3HD1 ILE 40 6.927 -14.323 0.248 284 H GLY 41 H GLY 41 7.250 -8.718 -0.025 285 1HA GLY 41 2HA GLY 41 8.401 -8.508 -2.009 286 2HA GLY 41 1HA GLY 41 6.874 -8.701 -2.940 287 H GLU 42 H GLU 42 8.571 -6.606 -3.574 288 HA GLU 42 HA GLU 42 8.161 -4.345 -1.959 289 1HB GLU 42 2HB GLU 42 9.215 -4.712 -4.800 290 2HB GLU 42 1HB GLU 42 9.105 -3.111 -4.005 291 1HG GLU 42 2HG GLU 42 10.542 -3.924 -2.113 292 2HG GLU 42 1HG GLU 42 10.748 -5.499 -2.968 293 H ARG 43 H ARG 43 6.583 -5.458 -4.909 294 HA ARG 43 HA ARG 43 4.806 -3.165 -4.940 295 1HB ARG 43 2HB ARG 43 4.104 -5.272 -6.824 296 2HB ARG 43 1HB ARG 43 4.575 -3.595 -7.125 297 1HG ARG 43 2HG ARG 43 6.578 -5.876 -6.603 298 2HG ARG 43 1HG ARG 43 5.909 -5.554 -8.180 299 1HD ARG 43 2HD ARG 43 7.361 -3.274 -6.712 300 2HD ARG 43 1HD ARG 43 8.233 -4.527 -7.691 301 HE ARG 43 HE ARG 43 6.039 -3.550 -9.261 302 1HH1 ARG 43 1HH1 ARG 43 9.118 -2.234 -7.958 303 2HH1 ARG 43 2HH1 ARG 43 9.324 -1.233 -9.346 304 1HH2 ARG 43 1HH2 ARG 43 6.711 -2.486 -11.235 305 2HH2 ARG 43 2HH2 ARG 43 8.151 -1.570 -11.245 306 H CYS 44 H CYS 44 4.977 -5.702 -3.018 307 HA CYS 44 HA CYS 44 3.838 -7.137 -2.029 308 1HB CYS 44 2HB CYS 44 2.679 -4.897 -1.382 309 2HB CYS 44 1HB CYS 44 1.270 -5.563 -2.252 310 H GLN 45 H GLN 45 4.244 -8.043 -4.464 311 HA GLN 45 HA GLN 45 1.858 -8.881 -5.707 312 1HB GLN 45 2HB GLN 45 4.627 -10.115 -6.106 313 2HB GLN 45 1HB GLN 45 3.266 -10.022 -7.245 314 1HG GLN 45 2HG GLN 45 3.605 -7.435 -7.212 315 2HG GLN 45 1HG GLN 45 5.094 -7.721 -6.227 316 1HE2 GLN 45 1HE2 GLN 45 3.492 -9.088 -9.139 317 2HE2 GLN 45 2HE2 GLN 45 4.920 -9.036 -10.162 318 H TYR 46 H TYR 46 3.972 -10.514 -3.336 319 HA TYR 46 HA TYR 46 3.108 -13.094 -4.363 320 1HB TYR 46 2HB TYR 46 5.259 -12.200 -2.373 321 2HB TYR 46 1HB TYR 46 4.983 -13.916 -2.832 322 HD1 TYR 46 1HD TYR 46 6.050 -14.784 -4.655 323 HD2 TYR 46 2HD TYR 46 5.962 -10.563 -4.183 324 HE1 TYR 46 1HE TYR 46 7.809 -14.566 -6.319 325 HE2 TYR 46 2HE TYR 46 7.705 -10.329 -5.863 326 HH TYR 46 HH TYR 46 9.308 -13.159 -7.265 327 H ARG 47 H ARG 47 2.382 -14.779 -2.943 328 HA ARG 47 HA ARG 47 1.122 -13.841 -0.473 329 1HB ARG 47 2HB ARG 47 -0.171 -15.074 -2.263 330 2HB ARG 47 1HB ARG 47 0.865 -16.495 -1.976 331 1HG ARG 47 2HG ARG 47 -0.005 -16.562 0.422 332 2HG ARG 47 1HG ARG 47 -1.021 -15.134 0.039 333 1HD ARG 47 2HD ARG 47 -2.217 -16.492 -1.735 334 2HD ARG 47 1HD ARG 47 -1.202 -17.923 -1.282 335 HE ARG 47 HE ARG 47 -2.724 -16.560 0.933 336 1HH1 ARG 47 1HH1 ARG 47 -2.679 -19.433 -1.311 337 2HH1 ARG 47 2HH1 ARG 47 -3.946 -20.163 -0.410 338 1HH2 ARG 47 1HH2 ARG 47 -4.608 -17.506 1.748 339 2HH2 ARG 47 2HH2 ARG 47 -5.150 -19.008 1.138 340 H ASP 48 H ASP 48 1.682 -14.762 1.543 341 HA ASP 48 HA ASP 48 4.201 -16.120 1.658 342 1HB ASP 48 2HB ASP 48 3.300 -14.293 3.245 343 2HB ASP 48 1HB ASP 48 2.286 -15.577 3.982 344 H LEU 49 H LEU 49 3.923 -18.102 0.644 345 HA LEU 49 HA LEU 49 1.711 -19.770 1.303 346 1HB LEU 49 2HB LEU 49 2.782 -19.700 -0.959 347 2HB LEU 49 1HB LEU 49 4.299 -20.317 -0.242 348 HG LEU 49 HG LEU 49 3.149 -22.454 0.363 349 1HD1 LEU 49 1HD1 LEU 49 0.908 -22.978 -0.621 350 2HD1 LEU 49 2HD1 LEU 49 0.723 -21.263 -1.134 351 3HD1 LEU 49 3HD1 LEU 49 0.792 -21.685 0.624 352 1HD2 LEU 49 1HD2 LEU 49 2.862 -21.664 -2.601 353 2HD2 LEU 49 2HD2 LEU 49 2.969 -23.337 -1.942 354 3HD2 LEU 49 3HD2 LEU 49 4.377 -22.228 -1.795 355 H LYS 50 H LYS 50 4.911 -19.299 2.553 356 HA LYS 50 HA LYS 50 5.236 -21.802 3.816 357 1HB LYS 50 2HB LYS 50 6.429 -19.022 4.167 358 2HB LYS 50 1HB LYS 50 6.787 -20.318 5.330 359 1HG LYS 50 2HG LYS 50 8.602 -20.339 3.887 360 2HG LYS 50 1HG LYS 50 7.626 -21.777 3.507 361 1HD LYS 50 2HD LYS 50 8.408 -20.968 1.459 362 2HD LYS 50 1HD LYS 50 6.685 -20.495 1.486 363 1HE LYS 50 2HE LYS 50 7.372 -18.125 2.066 364 2HE LYS 50 1HE LYS 50 9.101 -18.652 2.112 365 1HZ LYS 50 1HZ LYS 50 8.877 -19.297 -0.258 366 2HZ LYS 50 2HZ LYS 50 8.529 -17.661 -0.014 367 3HZ LYS 50 3HZ LYS 50 7.288 -18.757 -0.246 368 H TRP 51 H TRP 51 3.500 -18.869 4.659 369 HA TRP 51 HA TRP 51 2.840 -19.734 7.285 370 1HB TRP 51 2HB TRP 51 3.039 -17.392 6.742 371 2HB TRP 51 1HB TRP 51 1.848 -17.530 5.399 372 HD1 TRP 51 HD TRP 51 1.649 -18.461 9.207 373 HE1 TRP 51 1HE TRP 51 -0.409 -17.273 10.192 374 HE3 TRP 51 3HE TRP 51 0.184 -15.902 5.095 375 HZ2 TRP 51 2HZ TRP 51 -2.564 -15.699 9.219 376 HZ3 TRP 51 3HZ TRP 51 -1.828 -14.486 5.226 377 HH2 TRP 51 HH TRP 51 -3.163 -14.384 7.242 378 H TRP 52 H TRP 52 1.188 -19.893 4.134 379 HA TRP 52 HA TRP 52 -1.166 -20.941 5.406 380 1HB TRP 52 2HB TRP 52 -0.413 -20.385 2.518 381 2HB TRP 52 1HB TRP 52 -1.917 -21.273 2.946 382 HD1 TRP 52 HD TRP 52 -0.654 -17.671 2.869 383 HE1 TRP 52 1HE TRP 52 -2.374 -16.177 4.112 384 HE3 TRP 52 3HE TRP 52 -3.736 -21.260 4.708 385 HZ2 TRP 52 2HZ TRP 52 -4.851 -16.468 5.353 386 HZ3 TRP 52 3HZ TRP 52 -5.745 -20.590 5.923 387 HH2 TRP 52 HH TRP 52 -6.297 -18.240 6.251 388 H GLU 53 H GLU 53 1.588 -22.479 3.803 389 HA GLU 53 HA GLU 53 0.217 -25.019 4.002 390 1HB GLU 53 2HB GLU 53 1.625 -24.375 2.020 391 2HB GLU 53 1HB GLU 53 3.051 -24.484 3.073 392 1HG GLU 53 2HG GLU 53 2.833 -26.542 1.799 393 2HG GLU 53 1HG GLU 53 2.486 -26.939 3.513 394 H LEU 54 H LEU 54 -0.013 -24.389 6.317 395 HA LEU 54 HA LEU 54 1.951 -25.918 7.856 396 1HB LEU 54 2HB LEU 54 0.286 -23.472 8.681 397 2HB LEU 54 1HB LEU 54 1.179 -24.506 9.838 398 HG LEU 54 HG LEU 54 2.466 -22.841 7.610 399 1HD1 LEU 54 1HD1 LEU 54 3.238 -21.384 9.487 400 2HD1 LEU 54 2HD1 LEU 54 2.293 -22.394 10.659 401 3HD1 LEU 54 3HD1 LEU 54 1.435 -21.440 9.400 402 1HD2 LEU 54 1HD2 LEU 54 3.846 -24.851 8.178 403 2HD2 LEU 54 2HD2 LEU 54 3.725 -24.453 9.933 404 3HD2 LEU 54 3HD2 LEU 54 4.613 -23.355 8.810 Start of MODEL 34 1 1H VAL 1 1HT VAL 1 6.329 19.258 7.485 2 2H VAL 1 2HT VAL 1 4.767 19.495 6.916 3 3H VAL 1 3HT VAL 1 5.740 18.297 6.258 4 HA VAL 1 HA VAL 1 5.487 16.894 8.008 5 HB VAL 1 HB VAL 1 6.494 18.410 9.545 6 1HG1 VAL 1 1HG1 VAL 1 5.051 20.450 9.215 7 2HG1 VAL 1 2HG1 VAL 1 5.213 19.963 10.933 8 3HG1 VAL 1 3HG1 VAL 1 3.693 19.604 10.059 9 1HG2 VAL 1 1HG2 VAL 1 5.428 17.546 11.593 10 2HG2 VAL 1 2HG2 VAL 1 5.568 16.262 10.346 11 3HG2 VAL 1 3HG2 VAL 1 3.972 17.041 10.675 12 H VAL 2 H VAL 2 3.781 15.581 7.675 13 HA VAL 2 HA VAL 2 1.122 16.577 8.053 14 HB VAL 2 HB VAL 2 1.925 15.203 5.454 15 1HG1 VAL 2 1HG1 VAL 2 -0.519 15.620 4.900 16 2HG1 VAL 2 2HG1 VAL 2 -0.794 16.163 6.589 17 3HG1 VAL 2 3HG1 VAL 2 -0.322 14.450 6.241 18 1HG2 VAL 2 1HG2 VAL 2 2.543 17.595 5.326 19 2HG2 VAL 2 2HG2 VAL 2 0.954 18.070 6.044 20 3HG2 VAL 2 3HG2 VAL 2 1.010 17.327 4.411 21 H SER 3 H SER 3 0.545 15.165 9.636 22 HA SER 3 HA SER 3 1.480 12.413 9.400 23 1HB SER 3 2HB SER 3 1.660 13.970 11.501 24 2HB SER 3 1HB SER 3 -0.031 13.502 11.812 25 HG SER 3 HG SER 3 0.700 11.323 11.811 26 H HIS 4 H HIS 4 -0.229 12.570 7.452 27 HA HIS 4 HA HIS 4 -2.690 11.348 8.485 28 1HB HIS 4 2HB HIS 4 -2.505 13.334 6.174 29 2HB HIS 4 1HB HIS 4 -3.982 12.425 6.633 30 HD1 HIS 4 1HD HIS 4 -3.882 15.464 6.577 31 HD2 HIS 4 2HD HIS 4 -3.381 13.189 10.062 32 HE1 HIS 4 1HE HIS 4 -4.586 16.925 8.524 33 HE2 HIS 4 2HE HIS 4 -4.342 15.517 10.578 34 H PHE 5 H PHE 5 -3.760 9.890 7.079 35 HA PHE 5 HA PHE 5 -2.015 8.624 5.108 36 1HB PHE 5 2HB PHE 5 -4.568 7.714 6.571 37 2HB PHE 5 1HB PHE 5 -3.873 6.816 5.187 38 HD1 PHE 5 1HD PHE 5 -2.097 5.365 5.463 39 HD2 PHE 5 2HD PHE 5 -3.212 7.929 8.650 40 HE1 PHE 5 1HE PHE 5 -0.567 4.169 6.946 41 HE2 PHE 5 2HE PHE 5 -1.688 6.735 10.151 42 HZ PHE 5 HZ PHE 5 -0.337 4.865 9.295 43 H ASN 6 H ASN 6 -2.530 8.729 2.948 44 HA ASN 6 HA ASN 6 -5.054 10.079 2.257 45 1HB ASN 6 2HB ASN 6 -2.422 9.715 0.731 46 2HB ASN 6 1HB ASN 6 -3.945 10.305 -0.035 47 1HD2 ASN 6 1HD2 ASN 6 -2.332 12.129 -0.492 48 2HD2 ASN 6 2HD2 ASN 6 -2.390 13.433 0.652 49 H ASP 7 H ASP 7 -6.397 9.201 0.601 50 HA ASP 7 HA ASP 7 -6.312 6.317 0.639 51 1HB ASP 7 2HB ASP 7 -8.425 8.357 -0.159 52 2HB ASP 7 1HB ASP 7 -8.628 6.588 -0.412 53 H CYS 8 H CYS 8 -5.731 5.027 -0.882 54 HA CYS 8 HA CYS 8 -4.651 6.027 -3.231 55 1HB CYS 8 2HB CYS 8 -3.837 4.111 -1.868 56 2HB CYS 8 1HB CYS 8 -5.145 3.105 -2.541 57 HA PRO 9 HA PRO 9 -8.153 4.402 -5.757 58 1HB PRO 9 2HB PRO 9 -10.431 4.837 -3.759 59 2HB PRO 9 1HB PRO 9 -10.380 3.700 -5.166 60 1HG PRO 9 2HG PRO 9 -9.930 2.747 -2.644 61 2HG PRO 9 1HG PRO 9 -8.803 2.243 -3.979 62 1HD PRO 9 2HD PRO 9 -8.374 4.490 -1.912 63 2HD PRO 9 1HD PRO 9 -7.220 3.184 -2.445 64 H LEU 10 H LEU 10 -8.578 6.950 -3.372 65 HA LEU 10 HA LEU 10 -9.959 8.712 -5.095 66 1HB LEU 10 2HB LEU 10 -10.070 8.760 -2.593 67 2HB LEU 10 1HB LEU 10 -8.354 9.250 -2.536 68 HG LEU 10 HG LEU 10 -8.961 11.366 -3.788 69 1HD1 LEU 10 1HD1 LEU 10 -11.387 12.033 -3.881 70 2HD1 LEU 10 2HD1 LEU 10 -11.858 10.371 -3.389 71 3HD1 LEU 10 3HD1 LEU 10 -11.036 10.646 -4.971 72 1HD2 LEU 10 1HD2 LEU 10 -10.056 12.468 -1.846 73 2HD2 LEU 10 2HD2 LEU 10 -8.781 11.312 -1.302 74 3HD2 LEU 10 3HD2 LEU 10 -10.523 10.861 -1.180 75 H SER 11 H SER 11 -6.570 8.425 -4.082 76 HA SER 11 HA SER 11 -5.700 10.517 -5.807 77 1HB SER 11 2HB SER 11 -4.593 9.758 -3.628 78 2HB SER 11 1HB SER 11 -3.950 8.368 -4.544 79 HG SER 11 HG SER 11 -3.411 11.130 -4.768 80 H HIS 12 H HIS 12 -3.854 10.063 -7.387 81 HA HIS 12 HA HIS 12 -4.881 8.153 -9.307 82 1HB HIS 12 2HB HIS 12 -4.187 10.576 -9.834 83 2HB HIS 12 1HB HIS 12 -2.498 10.041 -9.654 84 HD1 HIS 12 1HD HIS 12 -1.709 9.929 -12.009 85 HD2 HIS 12 2HD HIS 12 -5.619 8.459 -11.725 86 HE1 HIS 12 1HE HIS 12 -2.383 9.155 -14.332 87 HE2 HIS 12 2HE HIS 12 -4.757 8.334 -14.120 88 H ASP 13 H ASP 13 -4.159 6.079 -9.415 89 HA ASP 13 HA ASP 13 -1.890 5.325 -7.939 90 1HB ASP 13 2HB ASP 13 -2.558 3.000 -8.703 91 2HB ASP 13 1HB ASP 13 -3.825 3.927 -7.840 92 H GLY 14 H GLY 14 -0.277 3.830 -8.651 93 1HA GLY 14 2HA GLY 14 0.349 3.602 -11.403 94 2HA GLY 14 1HA GLY 14 1.432 4.753 -10.533 95 H TYR 15 H TYR 15 2.145 3.824 -8.314 96 HA TYR 15 HA TYR 15 3.700 1.600 -9.019 97 1HB TYR 15 2HB TYR 15 4.485 3.605 -7.742 98 2HB TYR 15 1HB TYR 15 3.473 3.094 -6.356 99 HD1 TYR 15 1HD TYR 15 5.765 1.152 -8.661 100 HD2 TYR 15 2HD TYR 15 4.969 2.565 -4.737 101 HE1 TYR 15 1HE TYR 15 7.620 -0.181 -7.812 102 HE2 TYR 15 2HE TYR 15 6.846 1.246 -3.878 103 HH TYR 15 HH TYR 15 8.789 0.169 -4.562 104 H CYS 16 H CYS 16 1.001 1.878 -6.620 105 HA CYS 16 HA CYS 16 1.725 -0.778 -5.682 106 1HB CYS 16 2HB CYS 16 -0.540 1.066 -4.812 107 2HB CYS 16 1HB CYS 16 -0.032 -0.448 -4.001 108 H LEU 17 H LEU 17 1.155 -2.359 -7.096 109 HA LEU 17 HA LEU 17 -1.406 -2.217 -8.384 110 1HB LEU 17 2HB LEU 17 -0.732 -3.851 -9.853 111 2HB LEU 17 1HB LEU 17 0.633 -2.735 -9.649 112 HG LEU 17 HG LEU 17 0.392 -5.501 -8.307 113 1HD1 LEU 17 1HD1 LEU 17 2.030 -6.198 -10.081 114 2HD1 LEU 17 2HD1 LEU 17 1.913 -4.555 -10.816 115 3HD1 LEU 17 3HD1 LEU 17 0.462 -5.629 -10.771 116 1HD2 LEU 17 1HD2 LEU 17 1.941 -4.075 -7.002 117 2HD2 LEU 17 2HD2 LEU 17 2.782 -3.547 -8.517 118 3HD2 LEU 17 3HD2 LEU 17 2.882 -5.259 -7.960 119 H HIS 18 H HIS 18 -2.677 -4.164 -8.694 120 HA HIS 18 HA HIS 18 -4.225 -5.404 -7.938 121 1HB HIS 18 2HB HIS 18 -2.163 -6.932 -7.693 122 2HB HIS 18 1HB HIS 18 -2.348 -6.708 -5.935 123 HD1 HIS 18 1HD HIS 18 -3.810 -8.326 -8.930 124 HD2 HIS 18 2HD HIS 18 -4.842 -7.921 -4.892 125 HE1 HIS 18 1HE HIS 18 -5.744 -9.896 -8.516 126 HE2 HIS 18 2HE HIS 18 -6.323 -9.655 -6.062 127 H ASP 19 H ASP 19 -3.824 -2.882 -6.526 128 HA ASP 19 HA ASP 19 -4.778 -1.687 -5.086 129 1HB ASP 19 2HB ASP 19 -6.842 -3.119 -5.494 130 2HB ASP 19 1HB ASP 19 -6.468 -3.945 -3.942 131 H GLY 20 H GLY 20 -2.724 -1.382 -4.203 132 1HA GLY 20 2HA GLY 20 -2.533 -2.402 -1.438 133 2HA GLY 20 1HA GLY 20 -1.215 -1.699 -2.436 134 H VAL 21 H VAL 21 -1.321 -0.547 -0.065 135 HA VAL 21 HA VAL 21 -3.033 1.787 -0.265 136 HB VAL 21 HB VAL 21 -1.198 0.715 1.868 137 1HG1 VAL 21 1HG1 VAL 21 -0.983 3.205 1.950 138 2HG1 VAL 21 2HG1 VAL 21 -2.052 2.634 3.271 139 3HG1 VAL 21 3HG1 VAL 21 -2.774 3.384 1.805 140 1HG2 VAL 21 1HG2 VAL 21 -3.477 -0.364 1.585 141 2HG2 VAL 21 2HG2 VAL 21 -4.236 1.259 1.735 142 3HG2 VAL 21 3HG2 VAL 21 -3.340 0.554 3.128 143 H CYS 22 H CYS 22 -2.250 3.078 -1.900 144 HA CYS 22 HA CYS 22 0.565 3.802 -1.778 145 1HB CYS 22 2HB CYS 22 0.311 4.989 -3.789 146 2HB CYS 22 1HB CYS 22 -0.388 3.369 -3.997 147 H MET 23 H MET 23 1.332 5.720 -1.075 148 HA MET 23 HA MET 23 -0.616 7.850 -0.558 149 1HB MET 23 2HB MET 23 1.599 6.992 1.370 150 2HB MET 23 1HB MET 23 0.580 8.455 1.543 151 1HG MET 23 2HG MET 23 -1.457 6.949 1.657 152 2HG MET 23 1HG MET 23 -0.369 5.533 1.662 153 1HE MET 23 1HE MET 23 1.511 5.601 4.989 154 2HE MET 23 2HE MET 23 2.130 6.257 3.445 155 3HE MET 23 3HE MET 23 1.136 4.758 3.446 156 H TYR 24 H TYR 24 -0.041 9.587 -1.702 157 HA TYR 24 HA TYR 24 2.748 10.420 -1.432 158 1HB TYR 24 2HB TYR 24 2.421 9.937 -3.845 159 2HB TYR 24 1HB TYR 24 0.884 10.882 -3.845 160 HD1 TYR 24 1HD TYR 24 1.004 12.905 -4.732 161 HD2 TYR 24 2HD TYR 24 4.506 11.334 -2.905 162 HE1 TYR 24 1HE TYR 24 2.257 14.803 -5.542 163 HE2 TYR 24 2HE TYR 24 5.788 13.236 -3.711 164 HH TYR 24 HH TYR 24 5.679 15.349 -4.755 165 H ILE 25 H ILE 25 2.875 12.258 -0.264 166 HA ILE 25 HA ILE 25 0.573 14.060 -0.268 167 HB ILE 25 HB ILE 25 1.844 14.877 1.902 168 1HG1 ILE 25 2HG1 ILE 25 3.470 12.859 1.779 169 2HG1 ILE 25 1HG1 ILE 25 2.697 13.328 3.316 170 1HG2 ILE 25 1HG2 ILE 25 0.050 13.780 3.199 171 2HG2 ILE 25 2HG2 ILE 25 -0.311 12.707 1.799 172 3HG2 ILE 25 3HG2 ILE 25 -0.558 14.488 1.658 173 1HD1 ILE 25 1HD1 ILE 25 1.117 11.472 3.245 174 2HD1 ILE 25 2HD1 ILE 25 2.782 10.854 3.044 175 3HD1 ILE 25 3HD1 ILE 25 1.692 10.963 1.618 176 H GLU 26 H GLU 26 1.076 15.747 -1.504 177 HA GLU 26 HA GLU 26 3.659 16.129 -2.485 178 1HB GLU 26 2HB GLU 26 2.556 18.312 -3.397 179 2HB GLU 26 1HB GLU 26 2.062 16.720 -3.998 180 1HG GLU 26 2HG GLU 26 0.122 18.226 -3.643 181 2HG GLU 26 1HG GLU 26 0.003 16.709 -2.707 182 H ALA 27 H ALA 27 2.010 17.583 0.234 183 HA ALA 27 HA ALA 27 3.731 19.622 0.827 184 1HB ALA 27 1HB ALA 27 3.033 19.219 3.210 185 2HB ALA 27 2HB ALA 27 2.426 17.591 2.736 186 3HB ALA 27 3HB ALA 27 1.635 19.072 2.081 187 H LEU 28 H LEU 28 4.212 16.169 1.517 188 HA LEU 28 HA LEU 28 6.739 16.745 2.830 189 1HB LEU 28 2HB LEU 28 5.396 14.060 2.199 190 2HB LEU 28 1HB LEU 28 6.865 14.312 3.197 191 HG LEU 28 HG LEU 28 3.999 15.141 3.861 192 1HD1 LEU 28 1HD1 LEU 28 6.046 13.338 5.304 193 2HD1 LEU 28 2HD1 LEU 28 4.679 12.740 4.286 194 3HD1 LEU 28 3HD1 LEU 28 4.344 13.647 5.805 195 1HD2 LEU 28 1HD2 LEU 28 5.281 17.022 4.638 196 2HD2 LEU 28 2HD2 LEU 28 6.639 15.960 5.213 197 3HD2 LEU 28 3HD2 LEU 28 5.054 15.926 6.065 198 H ASP 29 H ASP 29 5.445 15.275 -0.088 199 HA ASP 29 HA ASP 29 6.161 14.862 -2.025 200 1HB ASP 29 2HB ASP 29 7.221 17.093 -1.809 201 2HB ASP 29 1HB ASP 29 8.771 16.286 -1.391 202 H LYS 30 H LYS 30 6.499 12.921 0.125 203 HA LYS 30 HA LYS 30 8.450 11.221 -1.255 204 1HB LYS 30 2HB LYS 30 9.027 10.171 0.776 205 2HB LYS 30 1HB LYS 30 9.202 11.937 0.930 206 1HG LYS 30 2HG LYS 30 8.334 11.379 2.980 207 2HG LYS 30 1HG LYS 30 6.871 11.917 2.098 208 1HD LYS 30 2HD LYS 30 6.419 9.499 1.550 209 2HD LYS 30 1HD LYS 30 7.820 9.004 2.541 210 1HE LYS 30 2HE LYS 30 6.725 9.754 4.623 211 2HE LYS 30 1HE LYS 30 5.441 10.617 3.686 212 1HZ LYS 30 1HZ LYS 30 5.843 7.664 3.815 213 2HZ LYS 30 2HZ LYS 30 4.744 8.484 2.795 214 3HZ LYS 30 3HZ LYS 30 4.584 8.559 4.467 215 H TYR 31 H TYR 31 8.012 9.088 -1.561 216 HA TYR 31 HA TYR 31 5.140 8.594 -1.905 217 1HB TYR 31 2HB TYR 31 7.667 7.964 -3.481 218 2HB TYR 31 1HB TYR 31 6.379 6.723 -3.512 219 HD1 TYR 31 1HD TYR 31 7.215 10.156 -4.462 220 HD2 TYR 31 2HD TYR 31 4.242 7.141 -4.373 221 HE1 TYR 31 1HE TYR 31 5.949 11.371 -6.176 222 HE2 TYR 31 2HE TYR 31 2.951 8.353 -6.099 223 HH TYR 31 HH TYR 31 4.055 11.485 -7.348 224 H ALA 32 H ALA 32 4.153 6.879 -1.006 225 HA ALA 32 HA ALA 32 5.893 4.760 0.007 226 1HB ALA 32 1HB ALA 32 3.508 6.040 1.477 227 2HB ALA 32 2HB ALA 32 5.241 6.206 1.936 228 3HB ALA 32 3HB ALA 32 4.428 4.601 2.050 229 H CYS 33 H CYS 33 5.323 2.778 -0.377 230 HA CYS 33 HA CYS 33 2.525 2.212 -1.045 231 1HB CYS 33 2HB CYS 33 4.377 1.722 -2.820 232 2HB CYS 33 1HB CYS 33 4.918 0.418 -1.743 233 H ASN 34 H ASN 34 1.491 1.116 0.523 234 HA ASN 34 HA ASN 34 3.131 -0.283 2.537 235 1HB ASN 34 2HB ASN 34 0.706 1.544 2.692 236 2HB ASN 34 1HB ASN 34 0.896 0.254 3.932 237 1HD2 ASN 34 1HD2 ASN 34 1.775 1.046 5.750 238 2HD2 ASN 34 2HD2 ASN 34 3.059 2.232 5.820 239 H CYS 35 H CYS 35 2.706 -2.280 3.087 240 HA CYS 35 HA CYS 35 0.726 -3.676 1.474 241 1HB CYS 35 2HB CYS 35 3.001 -4.819 3.164 242 2HB CYS 35 1HB CYS 35 2.002 -5.706 1.991 243 H VAL 36 H VAL 36 -0.397 -5.481 2.325 244 HA VAL 36 HA VAL 36 -1.476 -5.174 4.933 245 HB VAL 36 HB VAL 36 -1.790 -7.379 2.874 246 1HG1 VAL 36 1HG1 VAL 36 -3.572 -6.499 5.243 247 2HG1 VAL 36 2HG1 VAL 36 -2.798 -8.122 4.981 248 3HG1 VAL 36 3HG1 VAL 36 -4.107 -7.568 3.903 249 1HG2 VAL 36 1HG2 VAL 36 -3.850 -6.096 2.174 250 2HG2 VAL 36 2HG2 VAL 36 -2.348 -5.214 1.783 251 3HG2 VAL 36 3HG2 VAL 36 -3.334 -4.729 3.212 252 H VAL 37 H VAL 37 -1.527 -7.105 6.430 253 HA VAL 37 HA VAL 37 1.077 -8.207 6.771 254 HB VAL 37 HB VAL 37 -0.128 -7.461 8.667 255 1HG1 VAL 37 1HG1 VAL 37 -2.195 -9.672 8.045 256 2HG1 VAL 37 2HG1 VAL 37 -2.482 -7.893 7.935 257 3HG1 VAL 37 3HG1 VAL 37 -2.122 -8.656 9.519 258 1HG2 VAL 37 1HG2 VAL 37 0.236 -9.422 10.100 259 2HG2 VAL 37 2HG2 VAL 37 1.540 -9.336 8.863 260 3HG2 VAL 37 3HG2 VAL 37 0.199 -10.533 8.689 261 H GLY 38 H GLY 38 1.814 -10.172 6.237 262 1HA GLY 38 2HA GLY 38 1.788 -12.227 5.358 263 2HA GLY 38 1HA GLY 38 0.011 -12.159 5.140 264 H TYR 39 H TYR 39 1.929 -9.521 3.918 265 HA TYR 39 HA TYR 39 2.095 -10.717 1.282 266 1HB TYR 39 2HB TYR 39 0.723 -8.068 2.019 267 2HB TYR 39 1HB TYR 39 1.434 -8.322 0.386 268 HD1 TYR 39 1HD TYR 39 -1.178 -9.499 2.724 269 HD2 TYR 39 2HD TYR 39 0.476 -9.772 -1.176 270 HE1 TYR 39 1HE TYR 39 -3.202 -10.643 1.950 271 HE2 TYR 39 2HE TYR 39 -1.532 -10.909 -1.960 272 HH TYR 39 HH TYR 39 -3.430 -11.912 -1.347 273 H ILE 40 H ILE 40 4.047 -10.297 0.363 274 HA ILE 40 HA ILE 40 5.673 -8.158 1.523 275 HB ILE 40 HB ILE 40 7.667 -9.586 1.354 276 1HG1 ILE 40 2HG1 ILE 40 5.612 -11.819 0.880 277 2HG1 ILE 40 1HG1 ILE 40 6.816 -11.213 -0.299 278 1HG2 ILE 40 1HG2 ILE 40 5.477 -10.581 3.259 279 2HG2 ILE 40 2HG2 ILE 40 6.466 -9.089 3.473 280 3HG2 ILE 40 3HG2 ILE 40 7.260 -10.702 3.481 281 1HD1 ILE 40 1HD1 ILE 40 8.677 -11.921 1.271 282 2HD1 ILE 40 2HD1 ILE 40 7.654 -13.287 0.687 283 3HD1 ILE 40 3HD1 ILE 40 7.432 -12.654 2.356 284 H GLY 41 H GLY 41 7.710 -7.872 0.281 285 1HA GLY 41 2HA GLY 41 8.717 -7.413 -1.728 286 2HA GLY 41 1HA GLY 41 7.161 -7.686 -2.596 287 H GLU 42 H GLU 42 8.917 -5.224 -2.636 288 HA GLU 42 HA GLU 42 7.830 -3.278 -0.967 289 1HB GLU 42 2HB GLU 42 9.061 -3.033 -3.758 290 2HB GLU 42 1HB GLU 42 8.740 -1.653 -2.674 291 1HG GLU 42 2HG GLU 42 10.719 -3.965 -2.220 292 2HG GLU 42 1HG GLU 42 11.101 -2.244 -2.568 293 H ARG 43 H ARG 43 6.919 -4.366 -4.160 294 HA ARG 43 HA ARG 43 4.740 -2.539 -4.437 295 1HB ARG 43 2HB ARG 43 4.522 -3.661 -6.626 296 2HB ARG 43 1HB ARG 43 6.200 -3.176 -6.279 297 1HG ARG 43 2HG ARG 43 6.649 -5.632 -5.513 298 2HG ARG 43 1HG ARG 43 5.012 -5.988 -6.130 299 1HD ARG 43 2HD ARG 43 6.430 -6.597 -7.910 300 2HD ARG 43 1HD ARG 43 5.839 -4.958 -8.402 301 HE ARG 43 HE ARG 43 8.190 -4.361 -7.041 302 1HH1 ARG 43 1HH1 ARG 43 7.347 -6.154 -9.971 303 2HH1 ARG 43 2HH1 ARG 43 8.965 -6.178 -10.572 304 1HH2 ARG 43 1HH2 ARG 43 10.387 -4.793 -7.655 305 2HH2 ARG 43 2HH2 ARG 43 10.712 -5.242 -9.280 306 H CYS 44 H CYS 44 4.908 -5.074 -2.448 307 HA CYS 44 HA CYS 44 3.543 -6.396 -1.460 308 1HB CYS 44 2HB CYS 44 1.328 -4.502 -2.309 309 2HB CYS 44 1HB CYS 44 1.366 -5.537 -0.854 310 H GLN 45 H GLN 45 3.933 -7.959 -3.468 311 HA GLN 45 HA GLN 45 1.248 -8.666 -4.491 312 1HB GLN 45 2HB GLN 45 3.933 -8.648 -5.781 313 2HB GLN 45 1HB GLN 45 2.860 -10.017 -6.179 314 1HG GLN 45 2HG GLN 45 1.002 -8.465 -6.775 315 2HG GLN 45 1HG GLN 45 2.073 -7.058 -6.469 316 1HE2 GLN 45 1HE2 GLN 45 4.474 -7.780 -7.705 317 2HE2 GLN 45 2HE2 GLN 45 4.115 -7.707 -9.404 318 H TYR 46 H TYR 46 4.113 -10.066 -2.833 319 HA TYR 46 HA TYR 46 3.073 -12.678 -3.465 320 1HB TYR 46 2HB TYR 46 5.522 -11.773 -1.854 321 2HB TYR 46 1HB TYR 46 5.163 -13.480 -2.327 322 HD1 TYR 46 1HD TYR 46 4.980 -14.023 -4.753 323 HD2 TYR 46 2HD TYR 46 6.539 -10.315 -3.385 324 HE1 TYR 46 1HE TYR 46 6.136 -13.733 -6.884 325 HE2 TYR 46 2HE TYR 46 7.715 -10.012 -5.480 326 HH TYR 46 HH TYR 46 7.548 -12.505 -8.066 327 H ARG 47 H ARG 47 1.801 -13.907 -2.197 328 HA ARG 47 HA ARG 47 1.255 -12.890 0.482 329 1HB ARG 47 2HB ARG 47 -0.570 -13.387 -1.197 330 2HB ARG 47 1HB ARG 47 -0.132 -15.113 -1.099 331 1HG ARG 47 2HG ARG 47 -0.652 -15.017 1.418 332 2HG ARG 47 1HG ARG 47 -1.103 -13.302 1.191 333 1HD ARG 47 2HD ARG 47 -3.140 -14.570 1.272 334 2HD ARG 47 1HD ARG 47 -2.941 -14.080 -0.442 335 HE ARG 47 HE ARG 47 -2.505 -16.835 0.749 336 1HH1 ARG 47 1HH1 ARG 47 -2.889 -14.905 -2.254 337 2HH1 ARG 47 2HH1 ARG 47 -3.447 -16.270 -3.124 338 1HH2 ARG 47 1HH2 ARG 47 -3.016 -18.544 -0.433 339 2HH2 ARG 47 2HH2 ARG 47 -3.333 -18.456 -2.137 340 H ASP 48 H ASP 48 1.581 -14.084 2.340 341 HA ASP 48 HA ASP 48 3.347 -16.352 2.150 342 1HB ASP 48 2HB ASP 48 2.205 -14.672 4.411 343 2HB ASP 48 1HB ASP 48 2.826 -16.313 4.796 344 H LEU 49 H LEU 49 2.845 -18.367 1.887 345 HA LEU 49 HA LEU 49 0.168 -19.284 2.450 346 1HB LEU 49 2HB LEU 49 2.604 -20.481 1.074 347 2HB LEU 49 1HB LEU 49 1.205 -21.475 1.556 348 HG LEU 49 HG LEU 49 -0.323 -20.020 0.230 349 1HD1 LEU 49 1HD1 LEU 49 0.666 -18.710 -1.682 350 2HD1 LEU 49 2HD1 LEU 49 2.295 -18.856 -0.922 351 3HD1 LEU 49 3HD1 LEU 49 0.981 -17.937 -0.090 352 1HD2 LEU 49 1HD2 LEU 49 0.301 -21.103 -1.925 353 2HD2 LEU 49 2HD2 LEU 49 0.504 -22.238 -0.539 354 3HD2 LEU 49 3HD2 LEU 49 1.947 -21.452 -1.284 355 H LYS 50 H LYS 50 2.901 -18.867 4.329 356 HA LYS 50 HA LYS 50 3.574 -21.324 5.092 357 1HB LYS 50 2HB LYS 50 3.772 -18.742 6.711 358 2HB LYS 50 1HB LYS 50 4.506 -20.282 7.216 359 1HG LYS 50 2HG LYS 50 6.302 -19.528 6.298 360 2HG LYS 50 1HG LYS 50 5.661 -20.226 4.794 361 1HD LYS 50 2HD LYS 50 5.026 -18.015 3.983 362 2HD LYS 50 1HD LYS 50 5.105 -17.331 5.649 363 1HE LYS 50 2HE LYS 50 7.594 -17.714 5.694 364 2HE LYS 50 1HE LYS 50 7.540 -18.205 3.962 365 1HZ LYS 50 1HZ LYS 50 7.994 -15.750 4.742 366 2HZ LYS 50 2HZ LYS 50 6.307 -15.621 4.670 367 3HZ LYS 50 3HZ LYS 50 7.184 -16.076 3.314 368 H TRP 51 H TRP 51 1.347 -19.315 7.058 369 HA TRP 51 HA TRP 51 1.085 -21.429 8.959 370 1HB TRP 51 2HB TRP 51 -0.524 -19.922 10.070 371 2HB TRP 51 1HB TRP 51 1.064 -19.161 9.726 372 HD1 TRP 51 HD TRP 51 -2.661 -18.956 8.523 373 HE1 TRP 51 1HE TRP 51 -2.956 -16.667 7.404 374 HE3 TRP 51 3HE TRP 51 2.178 -17.417 8.581 375 HZ2 TRP 51 2HZ TRP 51 -1.372 -14.396 6.870 376 HZ3 TRP 51 3HZ TRP 51 2.718 -15.181 7.744 377 HH2 TRP 51 HH TRP 51 0.988 -13.688 6.934 378 H TRP 52 H TRP 52 -0.506 -20.650 6.095 379 HA TRP 52 HA TRP 52 -3.008 -21.925 6.683 380 1HB TRP 52 2HB TRP 52 -1.785 -21.320 3.941 381 2HB TRP 52 1HB TRP 52 -3.514 -21.640 4.301 382 HD1 TRP 52 HD TRP 52 -0.865 -18.839 4.411 383 HE1 TRP 52 1HE TRP 52 -2.086 -16.613 4.634 384 HE3 TRP 52 3HE TRP 52 -5.466 -20.620 5.594 385 HZ2 TRP 52 2HZ TRP 52 -4.721 -15.728 5.213 386 HZ3 TRP 52 3HZ TRP 52 -7.266 -19.027 6.051 387 HH2 TRP 52 HH TRP 52 -6.908 -16.628 5.859 388 H GLU 53 H GLU 53 0.027 -22.830 5.136 389 HA GLU 53 HA GLU 53 -0.896 -25.405 4.317 390 1HB GLU 53 2HB GLU 53 0.614 -23.865 3.043 391 2HB GLU 53 1HB GLU 53 1.850 -24.061 4.299 392 1HG GLU 53 2HG GLU 53 2.323 -25.383 2.259 393 2HG GLU 53 1HG GLU 53 2.141 -26.465 3.668 394 H LEU 54 H LEU 54 -1.438 -25.496 6.893 395 HA LEU 54 HA LEU 54 0.629 -27.230 8.027 396 1HB LEU 54 2HB LEU 54 -0.921 -25.011 9.451 397 2HB LEU 54 1HB LEU 54 0.068 -26.247 10.286 398 HG LEU 54 HG LEU 54 1.137 -24.152 8.321 399 1HD1 LEU 54 1HD1 LEU 54 2.081 -23.054 10.342 400 2HD1 LEU 54 2HD1 LEU 54 1.313 -24.312 11.400 401 3HD1 LEU 54 3HD1 LEU 54 0.291 -23.177 10.445 402 1HD2 LEU 54 1HD2 LEU 54 3.399 -24.840 9.169 403 2HD2 LEU 54 2HD2 LEU 54 2.585 -26.179 8.304 404 3HD2 LEU 54 3HD2 LEU 54 2.634 -26.183 10.110 Start of MODEL 35 1 1H VAL 1 1HT VAL 1 6.330 20.145 8.422 2 2H VAL 1 2HT VAL 1 5.619 19.547 7.067 3 3H VAL 1 3HT VAL 1 6.274 18.497 8.178 4 HA VAL 1 HA VAL 1 4.640 19.171 9.832 5 HB VAL 1 HB VAL 1 4.540 21.489 9.030 6 1HG1 VAL 1 1HG1 VAL 1 4.237 21.131 6.569 7 2HG1 VAL 1 2HG1 VAL 1 2.917 22.119 7.262 8 3HG1 VAL 1 3HG1 VAL 1 2.606 20.404 6.866 9 1HG2 VAL 1 1HG2 VAL 1 1.722 20.279 9.300 10 2HG2 VAL 1 2HG2 VAL 1 2.252 21.962 9.617 11 3HG2 VAL 1 3HG2 VAL 1 2.840 20.637 10.679 12 H VAL 2 H VAL 2 2.557 18.034 10.115 13 HA VAL 2 HA VAL 2 1.454 16.994 7.650 14 HB VAL 2 HB VAL 2 2.747 15.188 8.623 15 1HG1 VAL 2 1HG1 VAL 2 0.898 15.457 11.084 16 2HG1 VAL 2 2HG1 VAL 2 2.662 15.846 11.040 17 3HG1 VAL 2 3HG1 VAL 2 2.098 14.162 10.770 18 1HG2 VAL 2 1HG2 VAL 2 0.949 13.515 8.575 19 2HG2 VAL 2 2HG2 VAL 2 0.643 14.768 7.318 20 3HG2 VAL 2 3HG2 VAL 2 -0.302 14.771 8.858 21 H SER 3 H SER 3 -0.714 17.269 7.506 22 HA SER 3 HA SER 3 -2.068 18.216 9.942 23 1HB SER 3 2HB SER 3 -1.319 20.106 8.439 24 2HB SER 3 1HB SER 3 -2.420 19.471 7.177 25 HG SER 3 HG SER 3 -3.227 21.134 8.679 26 H HIS 4 H HIS 4 -2.565 16.961 6.604 27 HA HIS 4 HA HIS 4 -4.891 15.526 7.689 28 1HB HIS 4 2HB HIS 4 -6.009 15.710 5.492 29 2HB HIS 4 1HB HIS 4 -5.780 17.296 6.276 30 HD1 HIS 4 1HD HIS 4 -4.474 19.045 4.994 31 HD2 HIS 4 2HD HIS 4 -4.053 15.224 3.315 32 HE1 HIS 4 1HE HIS 4 -3.226 19.337 2.843 33 HE2 HIS 4 2HE HIS 4 -2.925 17.049 1.863 34 H PHE 5 H PHE 5 -5.153 13.421 7.095 35 HA PHE 5 HA PHE 5 -2.781 12.155 6.054 36 1HB PHE 5 2HB PHE 5 -3.947 11.566 8.266 37 2HB PHE 5 1HB PHE 5 -5.330 10.965 7.312 38 HD1 PHE 5 1HD PHE 5 -1.825 10.442 8.259 39 HD2 PHE 5 2HD PHE 5 -5.129 8.892 6.084 40 HE1 PHE 5 1HE PHE 5 -0.719 8.258 8.136 41 HE2 PHE 5 2HE PHE 5 -4.029 6.712 5.961 42 HZ PHE 5 HZ PHE 5 -1.822 6.388 6.991 43 H ASN 6 H ASN 6 -2.718 11.046 4.113 44 HA ASN 6 HA ASN 6 -5.090 11.396 2.415 45 1HB ASN 6 2HB ASN 6 -2.123 11.081 1.699 46 2HB ASN 6 1HB ASN 6 -3.467 11.204 0.503 47 1HD2 ASN 6 1HD2 ASN 6 -1.164 13.011 0.864 48 2HD2 ASN 6 2HD2 ASN 6 -1.858 14.580 1.154 49 H ASP 7 H ASP 7 -5.944 9.791 1.240 50 HA ASP 7 HA ASP 7 -4.745 7.136 1.435 51 1HB ASP 7 2HB ASP 7 -6.980 6.295 0.614 52 2HB ASP 7 1HB ASP 7 -6.957 7.007 2.248 53 H CYS 8 H CYS 8 -5.486 5.898 -0.755 54 HA CYS 8 HA CYS 8 -3.606 7.029 -2.522 55 1HB CYS 8 2HB CYS 8 -3.930 4.610 -1.781 56 2HB CYS 8 1HB CYS 8 -5.329 4.519 -2.869 57 HA PRO 9 HA PRO 9 -6.445 9.451 -4.210 58 1HB PRO 9 2HB PRO 9 -5.337 10.493 -6.519 59 2HB PRO 9 1HB PRO 9 -4.514 10.597 -4.922 60 1HG PRO 9 2HG PRO 9 -4.086 8.434 -7.066 61 2HG PRO 9 1HG PRO 9 -2.822 9.496 -6.300 62 1HD PRO 9 2HD PRO 9 -3.424 6.966 -5.353 63 2HD PRO 9 1HD PRO 9 -3.030 8.326 -4.187 64 H LEU 10 H LEU 10 -7.803 10.305 -5.945 65 HA LEU 10 HA LEU 10 -9.424 8.374 -7.095 66 1HB LEU 10 2HB LEU 10 -10.094 10.628 -6.291 67 2HB LEU 10 1HB LEU 10 -9.102 11.390 -7.562 68 HG LEU 10 HG LEU 10 -10.609 10.425 -9.314 69 1HD1 LEU 10 1HD1 LEU 10 -12.282 9.426 -6.917 70 2HD1 LEU 10 2HD1 LEU 10 -11.465 8.390 -8.147 71 3HD1 LEU 10 3HD1 LEU 10 -12.826 9.462 -8.635 72 1HD2 LEU 10 1HD2 LEU 10 -12.069 12.009 -7.108 73 2HD2 LEU 10 2HD2 LEU 10 -12.513 11.939 -8.855 74 3HD2 LEU 10 3HD2 LEU 10 -10.964 12.712 -8.347 75 H SER 11 H SER 11 -6.752 10.228 -8.465 76 HA SER 11 HA SER 11 -7.269 9.185 -11.115 77 1HB SER 11 2HB SER 11 -5.384 10.519 -11.888 78 2HB SER 11 1HB SER 11 -6.537 11.513 -10.950 79 HG SER 11 HG SER 11 -4.143 11.596 -10.578 80 H HIS 12 H HIS 12 -5.191 8.414 -12.248 81 HA HIS 12 HA HIS 12 -4.868 5.997 -12.135 82 1HB HIS 12 2HB HIS 12 -3.613 7.538 -13.578 83 2HB HIS 12 1HB HIS 12 -2.458 7.868 -12.264 84 HD1 HIS 12 1HD HIS 12 -0.569 6.146 -11.977 85 HD2 HIS 12 2HD HIS 12 -3.405 4.973 -14.840 86 HE1 HIS 12 1HE HIS 12 0.387 4.148 -13.177 87 HE2 HIS 12 2HE HIS 12 -1.373 3.485 -14.922 88 H ASP 13 H ASP 13 -4.739 4.352 -10.801 89 HA ASP 13 HA ASP 13 -2.477 4.266 -8.982 90 1HB ASP 13 2HB ASP 13 -3.783 3.261 -7.237 91 2HB ASP 13 1HB ASP 13 -4.606 4.775 -7.733 92 H GLY 14 H GLY 14 -1.811 2.031 -8.449 93 1HA GLY 14 2HA GLY 14 -2.524 -0.229 -8.806 94 2HA GLY 14 1HA GLY 14 -2.607 0.124 -10.560 95 H TYR 15 H TYR 15 0.002 1.217 -8.431 96 HA TYR 15 HA TYR 15 1.918 -0.356 -9.900 97 1HB TYR 15 2HB TYR 15 2.560 1.922 -9.247 98 2HB TYR 15 1HB TYR 15 2.104 1.600 -7.548 99 HD1 TYR 15 1HD TYR 15 3.850 1.276 -6.144 100 HD2 TYR 15 2HD TYR 15 4.290 0.021 -10.177 101 HE1 TYR 15 1HE TYR 15 6.084 0.432 -5.629 102 HE2 TYR 15 2HE TYR 15 6.527 -0.827 -9.670 103 HH TYR 15 HH TYR 15 7.822 -0.819 -6.376 104 H CYS 16 H CYS 16 0.467 -0.198 -6.648 105 HA CYS 16 HA CYS 16 2.070 -2.399 -5.750 106 1HB CYS 16 2HB CYS 16 -0.222 -1.050 -4.257 107 2HB CYS 16 1HB CYS 16 1.191 -1.910 -3.565 108 H LEU 17 H LEU 17 1.479 -4.534 -5.760 109 HA LEU 17 HA LEU 17 -1.114 -5.156 -6.793 110 1HB LEU 17 2HB LEU 17 1.310 -6.797 -6.005 111 2HB LEU 17 1HB LEU 17 -0.224 -7.565 -6.505 112 HG LEU 17 HG LEU 17 1.297 -7.595 -8.316 113 1HD1 LEU 17 1HD1 LEU 17 -0.037 -6.602 -10.116 114 2HD1 LEU 17 2HD1 LEU 17 -0.885 -5.517 -8.961 115 3HD1 LEU 17 3HD1 LEU 17 -1.124 -7.305 -8.863 116 1HD2 LEU 17 1HD2 LEU 17 1.388 -4.530 -8.424 117 2HD2 LEU 17 2HD2 LEU 17 2.269 -5.702 -9.463 118 3HD2 LEU 17 3HD2 LEU 17 2.694 -5.551 -7.713 119 H HIS 18 H HIS 18 -2.383 -6.949 -5.839 120 HA HIS 18 HA HIS 18 -4.030 -7.182 -4.478 121 1HB HIS 18 2HB HIS 18 -1.835 -7.498 -2.385 122 2HB HIS 18 1HB HIS 18 -3.533 -8.072 -2.210 123 HD1 HIS 18 1HD HIS 18 -4.287 -9.966 -3.933 124 HD2 HIS 18 2HD HIS 18 -0.176 -9.122 -3.981 125 HE1 HIS 18 1HE HIS 18 -3.167 -11.840 -5.190 126 HE2 HIS 18 2HE HIS 18 -0.708 -11.327 -5.189 127 H ASP 19 H ASP 19 -4.033 -4.707 -5.039 128 HA ASP 19 HA ASP 19 -4.358 -2.645 -4.517 129 1HB ASP 19 2HB ASP 19 -6.495 -4.011 -4.423 130 2HB ASP 19 1HB ASP 19 -6.449 -3.839 -2.635 131 H GLY 20 H GLY 20 -2.249 -2.336 -3.586 132 1HA GLY 20 2HA GLY 20 -2.097 -2.075 -0.734 133 2HA GLY 20 1HA GLY 20 -0.873 -1.606 -1.966 134 H VAL 21 H VAL 21 -2.066 -0.230 0.515 135 HA VAL 21 HA VAL 21 -3.514 1.963 -0.644 136 HB VAL 21 HB VAL 21 -2.628 1.650 2.224 137 1HG1 VAL 21 1HG1 VAL 21 -4.805 3.334 0.791 138 2HG1 VAL 21 2HG1 VAL 21 -3.287 3.993 1.511 139 3HG1 VAL 21 3HG1 VAL 21 -4.538 3.254 2.566 140 1HG2 VAL 21 1HG2 VAL 21 -4.997 0.838 2.551 141 2HG2 VAL 21 2HG2 VAL 21 -4.016 -0.318 1.595 142 3HG2 VAL 21 3HG2 VAL 21 -5.203 0.756 0.766 143 H CYS 22 H CYS 22 -2.325 3.369 -1.826 144 HA CYS 22 HA CYS 22 0.337 4.028 -0.969 145 1HB CYS 22 2HB CYS 22 0.658 5.109 -2.989 146 2HB CYS 22 1HB CYS 22 -0.251 3.627 -3.357 147 H MET 23 H MET 23 1.149 6.070 -0.432 148 HA MET 23 HA MET 23 -0.725 8.225 -0.141 149 1HB MET 23 2HB MET 23 0.002 8.570 2.326 150 2HB MET 23 1HB MET 23 -1.287 7.411 1.925 151 1HG MET 23 2HG MET 23 0.184 5.495 2.131 152 2HG MET 23 1HG MET 23 1.615 6.538 2.342 153 1HE MET 23 1HE MET 23 0.623 4.057 4.061 154 2HE MET 23 2HE MET 23 1.155 4.622 5.682 155 3HE MET 23 3HE MET 23 2.175 4.948 4.240 156 H TYR 24 H TYR 24 0.244 9.672 -1.269 157 HA TYR 24 HA TYR 24 2.985 10.442 -0.700 158 1HB TYR 24 2HB TYR 24 2.280 10.439 -3.082 159 2HB TYR 24 1HB TYR 24 0.815 11.387 -2.659 160 HD1 TYR 24 1HD TYR 24 4.451 11.984 -1.774 161 HD2 TYR 24 2HD TYR 24 0.922 13.216 -3.809 162 HE1 TYR 24 1HE TYR 24 5.537 14.063 -2.388 163 HE2 TYR 24 2HE TYR 24 1.992 15.285 -4.447 164 HH TYR 24 HH TYR 24 5.241 16.148 -3.277 165 H ILE 25 H ILE 25 3.478 12.110 0.729 166 HA ILE 25 HA ILE 25 1.289 13.911 1.429 167 HB ILE 25 HB ILE 25 3.593 13.040 3.203 168 1HG1 ILE 25 2HG1 ILE 25 1.420 12.215 4.537 169 2HG1 ILE 25 1HG1 ILE 25 0.763 11.973 2.898 170 1HG2 ILE 25 1HG2 ILE 25 1.050 14.762 3.552 171 2HG2 ILE 25 2HG2 ILE 25 2.762 15.359 3.541 172 3HG2 ILE 25 3HG2 ILE 25 2.186 14.305 4.885 173 1HD1 ILE 25 1HD1 ILE 25 3.344 10.725 4.093 174 2HD1 ILE 25 2HD1 ILE 25 2.844 10.523 2.382 175 3HD1 ILE 25 3HD1 ILE 25 1.812 9.863 3.685 176 H GLU 26 H GLU 26 1.714 15.614 0.136 177 HA GLU 26 HA GLU 26 4.041 16.326 -0.936 178 1HB GLU 26 2HB GLU 26 3.019 18.503 -1.425 179 2HB GLU 26 1HB GLU 26 1.874 17.160 -1.654 180 1HG GLU 26 2HG GLU 26 0.833 17.674 0.596 181 2HG GLU 26 1HG GLU 26 1.948 19.073 0.785 182 H ALA 27 H ALA 27 2.879 17.480 2.184 183 HA ALA 27 HA ALA 27 4.765 19.455 2.616 184 1HB ALA 27 1HB ALA 27 3.259 17.666 4.635 185 2HB ALA 27 2HB ALA 27 2.582 19.149 3.863 186 3HB ALA 27 3HB ALA 27 3.977 19.268 4.990 187 H LEU 28 H LEU 28 4.843 15.996 3.373 188 HA LEU 28 HA LEU 28 7.279 16.270 4.879 189 1HB LEU 28 2HB LEU 28 5.715 13.782 3.983 190 2HB LEU 28 1HB LEU 28 7.045 13.809 5.182 191 HG LEU 28 HG LEU 28 4.283 15.114 5.484 192 1HD1 LEU 28 1HD1 LEU 28 3.983 13.408 7.273 193 2HD1 LEU 28 2HD1 LEU 28 5.613 12.730 6.924 194 3HD1 LEU 28 3HD1 LEU 28 4.302 12.616 5.684 195 1HD2 LEU 28 1HD2 LEU 28 5.005 15.547 7.864 196 2HD2 LEU 28 2HD2 LEU 28 5.856 16.551 6.647 197 3HD2 LEU 28 3HD2 LEU 28 6.699 15.132 7.399 198 H ASP 29 H ASP 29 6.254 15.457 1.675 199 HA ASP 29 HA ASP 29 7.249 15.318 -0.193 200 1HB ASP 29 2HB ASP 29 8.575 17.196 0.773 201 2HB ASP 29 1HB ASP 29 9.868 16.035 1.198 202 H LYS 30 H LYS 30 6.891 13.003 1.494 203 HA LYS 30 HA LYS 30 8.621 11.178 -0.003 204 1HB LYS 30 2HB LYS 30 9.008 9.819 1.893 205 2HB LYS 30 1HB LYS 30 9.449 11.518 2.239 206 1HG LYS 30 2HG LYS 30 8.513 10.810 4.198 207 2HG LYS 30 1HG LYS 30 7.212 11.783 3.467 208 1HD LYS 30 2HD LYS 30 5.959 9.821 2.861 209 2HD LYS 30 1HD LYS 30 7.345 8.732 3.087 210 1HE LYS 30 2HE LYS 30 6.059 10.309 5.429 211 2HE LYS 30 1HE LYS 30 5.479 8.677 4.919 212 1HZ LYS 30 1HZ LYS 30 7.543 7.725 5.450 213 2HZ LYS 30 2HZ LYS 30 7.170 8.719 6.758 214 3HZ LYS 30 3HZ LYS 30 8.321 9.202 5.655 215 H TYR 31 H TYR 31 7.845 9.075 -0.300 216 HA TYR 31 HA TYR 31 4.912 8.929 -0.485 217 1HB TYR 31 2HB TYR 31 7.160 7.525 -2.072 218 2HB TYR 31 1HB TYR 31 5.410 7.203 -2.303 219 HD1 TYR 31 1HD TYR 31 4.009 8.808 -3.342 220 HD2 TYR 31 2HD TYR 31 8.150 9.525 -2.874 221 HE1 TYR 31 1HE TYR 31 3.873 10.637 -5.002 222 HE2 TYR 31 2HE TYR 31 8.042 11.351 -4.511 223 HH TYR 31 HH TYR 31 6.707 12.650 -5.743 224 H ALA 32 H ALA 32 3.944 6.819 -0.003 225 HA ALA 32 HA ALA 32 5.763 4.731 0.007 226 1HB ALA 32 1HB ALA 32 5.274 3.664 2.225 227 2HB ALA 32 2HB ALA 32 4.212 5.051 2.671 228 3HB ALA 32 3HB ALA 32 5.990 5.280 2.497 229 H CYS 33 H CYS 33 4.684 2.585 0.052 230 HA CYS 33 HA CYS 33 1.779 2.769 -0.281 231 1HB CYS 33 2HB CYS 33 3.150 2.425 -2.467 232 2HB CYS 33 1HB CYS 33 3.558 0.812 -1.837 233 H ASN 34 H ASN 34 0.689 1.516 1.138 234 HA ASN 34 HA ASN 34 2.287 -0.321 2.741 235 1HB ASN 34 2HB ASN 34 0.734 1.630 3.558 236 2HB ASN 34 1HB ASN 34 -0.640 0.560 3.139 237 1HD2 ASN 34 1HD2 ASN 34 -0.955 -1.377 4.494 238 2HD2 ASN 34 2HD2 ASN 34 -0.156 -1.511 6.024 239 H CYS 35 H CYS 35 1.895 -2.607 2.768 240 HA CYS 35 HA CYS 35 0.049 -3.469 0.661 241 1HB CYS 35 2HB CYS 35 2.422 -4.894 1.942 242 2HB CYS 35 1HB CYS 35 1.355 -5.573 0.673 243 H VAL 36 H VAL 36 -0.941 -5.588 0.921 244 HA VAL 36 HA VAL 36 -2.117 -5.944 3.509 245 HB VAL 36 HB VAL 36 -2.272 -7.735 1.089 246 1HG1 VAL 36 1HG1 VAL 36 -4.024 -7.492 3.616 247 2HG1 VAL 36 2HG1 VAL 36 -3.073 -8.935 3.077 248 3HG1 VAL 36 3HG1 VAL 36 -4.492 -8.392 2.132 249 1HG2 VAL 36 1HG2 VAL 36 -4.102 -5.402 2.016 250 2HG2 VAL 36 2HG2 VAL 36 -4.458 -6.529 0.659 251 3HG2 VAL 36 3HG2 VAL 36 -3.087 -5.385 0.533 252 H VAL 37 H VAL 37 -1.884 -7.781 4.781 253 HA VAL 37 HA VAL 37 0.826 -8.540 5.056 254 HB VAL 37 HB VAL 37 -0.546 -7.898 6.910 255 1HG1 VAL 37 1HG1 VAL 37 -2.026 -10.579 6.497 256 2HG1 VAL 37 2HG1 VAL 37 -2.726 -8.938 6.225 257 3HG1 VAL 37 3HG1 VAL 37 -2.215 -9.445 7.873 258 1HG2 VAL 37 1HG2 VAL 37 0.259 -9.600 8.482 259 2HG2 VAL 37 2HG2 VAL 37 1.515 -9.293 7.232 260 3HG2 VAL 37 3HG2 VAL 37 0.505 -10.790 7.162 261 H GLY 38 H GLY 38 1.878 -10.430 4.809 262 1HA GLY 38 2HA GLY 38 2.231 -12.555 4.315 263 2HA GLY 38 1HA GLY 38 0.473 -12.818 4.081 264 H TYR 39 H TYR 39 2.024 -10.212 2.419 265 HA TYR 39 HA TYR 39 2.127 -11.744 -0.075 266 1HB TYR 39 2HB TYR 39 1.018 -8.915 0.390 267 2HB TYR 39 1HB TYR 39 1.512 -9.526 -1.232 268 HD1 TYR 39 1HD TYR 39 0.354 -11.335 -2.287 269 HD2 TYR 39 2HD TYR 39 -0.960 -9.828 1.455 270 HE1 TYR 39 1HE TYR 39 -1.764 -12.526 -2.559 271 HE2 TYR 39 2HE TYR 39 -3.090 -10.992 1.185 272 HH TYR 39 HH TYR 39 -4.278 -12.436 -0.045 273 H ILE 40 H ILE 40 3.914 -11.536 -1.222 274 HA ILE 40 HA ILE 40 6.084 -9.993 -0.008 275 HB ILE 40 HB ILE 40 7.526 -11.985 -0.446 276 1HG1 ILE 40 2HG1 ILE 40 4.818 -13.401 -0.790 277 2HG1 ILE 40 1HG1 ILE 40 5.952 -13.057 -2.135 278 1HG2 ILE 40 1HG2 ILE 40 6.611 -11.334 1.798 279 2HG2 ILE 40 2HG2 ILE 40 6.840 -13.105 1.619 280 3HG2 ILE 40 3HG2 ILE 40 5.189 -12.402 1.516 281 1HD1 ILE 40 1HD1 ILE 40 6.305 -15.374 -1.430 282 2HD1 ILE 40 2HD1 ILE 40 6.431 -14.903 0.295 283 3HD1 ILE 40 3HD1 ILE 40 7.732 -14.428 -0.839 284 H GLY 41 H GLY 41 8.073 -10.088 -1.406 285 1HA GLY 41 2HA GLY 41 8.989 -9.639 -3.473 286 2HA GLY 41 1HA GLY 41 7.343 -9.472 -4.185 287 H GLU 42 H GLU 42 9.284 -7.436 -4.560 288 HA GLU 42 HA GLU 42 9.402 -5.536 -2.595 289 1HB GLU 42 2HB GLU 42 9.502 -5.315 -5.652 290 2HB GLU 42 1HB GLU 42 9.975 -3.994 -4.553 291 1HG GLU 42 2HG GLU 42 11.316 -6.773 -4.693 292 2HG GLU 42 1HG GLU 42 11.915 -5.253 -5.435 293 H ARG 43 H ARG 43 7.207 -5.639 -5.376 294 HA ARG 43 HA ARG 43 5.474 -3.639 -4.128 295 1HB ARG 43 2HB ARG 43 4.418 -3.634 -6.447 296 2HB ARG 43 1HB ARG 43 6.065 -3.011 -6.311 297 1HG ARG 43 2HG ARG 43 6.019 -5.938 -6.938 298 2HG ARG 43 1HG ARG 43 5.175 -4.907 -8.134 299 1HD ARG 43 2HD ARG 43 7.189 -3.434 -8.324 300 2HD ARG 43 1HD ARG 43 8.113 -4.542 -7.238 301 HE ARG 43 HE ARG 43 7.074 -6.283 -9.161 302 1HH1 ARG 43 1HH1 ARG 43 9.176 -3.395 -9.403 303 2HH1 ARG 43 2HH1 ARG 43 9.243 -3.461 -11.131 304 1HH2 ARG 43 1HH2 ARG 43 7.848 -6.689 -11.319 305 2HH2 ARG 43 2HH2 ARG 43 8.616 -5.434 -12.182 306 H CYS 44 H CYS 44 5.665 -6.434 -3.174 307 HA CYS 44 HA CYS 44 4.352 -7.918 -2.332 308 1HB CYS 44 2HB CYS 44 2.300 -5.686 -2.526 309 2HB CYS 44 1HB CYS 44 2.247 -7.060 -1.379 310 H GLN 45 H GLN 45 4.542 -8.632 -4.907 311 HA GLN 45 HA GLN 45 2.024 -8.837 -6.150 312 1HB GLN 45 2HB GLN 45 4.596 -10.309 -6.862 313 2HB GLN 45 1HB GLN 45 3.172 -9.999 -7.910 314 1HG GLN 45 2HG GLN 45 3.607 -7.484 -7.602 315 2HG GLN 45 1HG GLN 45 5.135 -7.911 -6.759 316 1HE2 GLN 45 1HE2 GLN 45 3.456 -9.031 -9.811 317 2HE2 GLN 45 2HE2 GLN 45 4.820 -8.684 -10.833 318 H TYR 46 H TYR 46 3.928 -11.263 -4.348 319 HA TYR 46 HA TYR 46 1.933 -13.274 -5.149 320 1HB TYR 46 2HB TYR 46 4.743 -13.870 -4.098 321 2HB TYR 46 1HB TYR 46 3.658 -14.931 -5.058 322 HD1 TYR 46 1HD TYR 46 3.121 -14.080 -7.466 323 HD2 TYR 46 2HD TYR 46 6.350 -12.644 -5.115 324 HE1 TYR 46 1HE TYR 46 4.214 -13.250 -9.485 325 HE2 TYR 46 2HE TYR 46 7.451 -11.802 -7.113 326 HH TYR 46 HH TYR 46 5.965 -12.211 -10.348 327 H ARG 47 H ARG 47 1.366 -14.894 -3.424 328 HA ARG 47 HA ARG 47 1.740 -13.718 -0.753 329 1HB ARG 47 2HB ARG 47 0.013 -15.527 -0.069 330 2HB ARG 47 1HB ARG 47 -0.457 -13.988 -0.784 331 1HG ARG 47 2HG ARG 47 -0.768 -14.994 -2.998 332 2HG ARG 47 1HG ARG 47 -0.235 -16.600 -2.391 333 1HD ARG 47 2HD ARG 47 -2.201 -16.778 -0.929 334 2HD ARG 47 1HD ARG 47 -2.645 -15.053 -1.207 335 HE ARG 47 HE ARG 47 -2.746 -17.254 -3.318 336 1HH1 ARG 47 1HH1 ARG 47 -3.784 -13.906 -2.361 337 2HH1 ARG 47 2HH1 ARG 47 -4.533 -13.704 -3.918 338 1HH2 ARG 47 1HH2 ARG 47 -3.939 -16.944 -5.072 339 2HH2 ARG 47 2HH2 ARG 47 -4.939 -15.528 -5.263 340 H ASP 48 H ASP 48 2.436 -14.787 1.010 341 HA ASP 48 HA ASP 48 3.843 -17.298 0.531 342 1HB ASP 48 2HB ASP 48 4.987 -15.393 1.834 343 2HB ASP 48 1HB ASP 48 3.772 -15.678 3.132 344 H LEU 49 H LEU 49 2.557 -19.049 0.681 345 HA LEU 49 HA LEU 49 0.086 -18.842 2.129 346 1HB LEU 49 2HB LEU 49 0.634 -19.870 -0.240 347 2HB LEU 49 1HB LEU 49 1.109 -21.313 0.691 348 HG LEU 49 HG LEU 49 -1.259 -21.197 1.762 349 1HD1 LEU 49 1HD1 LEU 49 -1.839 -18.825 1.192 350 2HD1 LEU 49 2HD1 LEU 49 -3.011 -19.978 0.457 351 3HD1 LEU 49 3HD1 LEU 49 -1.732 -19.226 -0.566 352 1HD2 LEU 49 1HD2 LEU 49 -1.020 -21.644 -1.280 353 2HD2 LEU 49 2HD2 LEU 49 -2.338 -22.268 -0.215 354 3HD2 LEU 49 3HD2 LEU 49 -0.646 -22.843 0.016 355 H LYS 50 H LYS 50 3.178 -19.645 3.101 356 HA LYS 50 HA LYS 50 2.684 -22.235 4.108 357 1HB LYS 50 2HB LYS 50 5.064 -20.329 4.244 358 2HB LYS 50 1HB LYS 50 5.086 -21.993 4.910 359 1HG LYS 50 2HG LYS 50 6.173 -22.128 2.897 360 2HG LYS 50 1HG LYS 50 4.589 -22.870 2.583 361 1HD LYS 50 2HD LYS 50 4.036 -21.294 1.010 362 2HD LYS 50 1HD LYS 50 4.663 -19.927 1.977 363 1HE LYS 50 2HE LYS 50 6.512 -21.842 0.445 364 2HE LYS 50 1HE LYS 50 5.828 -20.298 -0.246 365 1HZ LYS 50 1HZ LYS 50 7.687 -20.630 2.040 366 2HZ LYS 50 2HZ LYS 50 6.818 -19.182 1.750 367 3HZ LYS 50 3HZ LYS 50 7.910 -19.783 0.612 368 H TRP 51 H TRP 51 2.571 -19.063 5.603 369 HA TRP 51 HA TRP 51 2.846 -20.090 8.242 370 1HB TRP 51 2HB TRP 51 2.302 -17.814 8.952 371 2HB TRP 51 1HB TRP 51 3.582 -17.863 7.696 372 HD1 TRP 51 HD TRP 51 2.880 -16.878 5.194 373 HE1 TRP 51 1HE TRP 51 0.910 -15.458 4.435 374 HE3 TRP 51 3HE TRP 51 0.089 -17.016 9.435 375 HZ2 TRP 51 2HZ TRP 51 -1.266 -14.098 5.657 376 HZ3 TRP 51 3HZ TRP 51 -1.905 -15.610 9.585 377 HH2 TRP 51 HH TRP 51 -2.581 -14.182 7.731 378 H TRP 52 H TRP 52 0.226 -19.742 6.081 379 HA TRP 52 HA TRP 52 -1.870 -19.584 7.933 380 1HB TRP 52 2HB TRP 52 -1.851 -20.728 5.096 381 2HB TRP 52 1HB TRP 52 -3.325 -20.354 6.039 382 HD1 TRP 52 HD TRP 52 -0.368 -18.416 4.312 383 HE1 TRP 52 1HE TRP 52 -1.385 -16.200 3.480 384 HE3 TRP 52 3HE TRP 52 -4.856 -18.668 6.662 385 HZ2 TRP 52 2HZ TRP 52 -3.763 -14.764 3.801 386 HZ3 TRP 52 3HZ TRP 52 -6.435 -16.826 6.392 387 HH2 TRP 52 HH TRP 52 -5.910 -14.905 4.989 388 H GLU 53 H GLU 53 -0.263 -22.408 6.507 389 HA GLU 53 HA GLU 53 -1.957 -24.141 8.158 390 1HB GLU 53 2HB GLU 53 -1.869 -24.502 5.654 391 2HB GLU 53 1HB GLU 53 -0.178 -25.024 5.869 392 1HG GLU 53 2HG GLU 53 -1.052 -26.819 7.514 393 2HG GLU 53 1HG GLU 53 -2.714 -26.250 7.155 394 H LEU 54 H LEU 54 -0.623 -23.150 9.938 395 HA LEU 54 HA LEU 54 1.632 -24.966 10.444 396 1HB LEU 54 2HB LEU 54 0.877 -22.287 11.716 397 2HB LEU 54 1HB LEU 54 2.157 -23.374 12.344 398 HG LEU 54 HG LEU 54 2.201 -22.127 9.544 399 1HD1 LEU 54 1HD1 LEU 54 2.289 -20.357 11.297 400 2HD1 LEU 54 2HD1 LEU 54 3.884 -20.536 10.475 401 3HD1 LEU 54 3HD1 LEU 54 3.639 -21.226 12.123 402 1HD2 LEU 54 1HD2 LEU 54 4.383 -23.551 11.210 403 2HD2 LEU 54 2HD2 LEU 54 4.637 -22.741 9.620 404 3HD2 LEU 54 3HD2 LEU 54 3.585 -24.200 9.726 Start of MODEL 36 1 1H VAL 1 1HT VAL 1 7.406 16.435 5.971 2 2H VAL 1 2HT VAL 1 8.364 17.397 6.954 3 3H VAL 1 3HT VAL 1 6.985 18.046 6.277 4 HA VAL 1 HA VAL 1 6.970 15.886 8.277 5 HB VAL 1 HB VAL 1 6.370 18.860 8.505 6 1HG1 VAL 1 1HG1 VAL 1 6.043 18.365 10.950 7 2HG1 VAL 1 2HG1 VAL 1 6.093 16.607 10.608 8 3HG1 VAL 1 3HG1 VAL 1 4.755 17.632 9.948 9 1HG2 VAL 1 1HG2 VAL 1 8.235 18.783 10.187 10 2HG2 VAL 1 2HG2 VAL 1 8.830 18.374 8.553 11 3HG2 VAL 1 3HG2 VAL 1 8.552 17.071 9.772 12 H VAL 2 H VAL 2 4.867 15.021 8.808 13 HA VAL 2 HA VAL 2 2.835 15.767 6.879 14 HB VAL 2 HB VAL 2 3.557 13.572 6.634 15 1HG1 VAL 2 1HG1 VAL 2 2.908 13.104 9.614 16 2HG1 VAL 2 2HG1 VAL 2 4.557 13.114 8.870 17 3HG1 VAL 2 3HG1 VAL 2 3.370 11.862 8.404 18 1HG2 VAL 2 1HG2 VAL 2 1.422 12.400 6.852 19 2HG2 VAL 2 2HG2 VAL 2 1.090 14.100 6.375 20 3HG2 VAL 2 3HG2 VAL 2 0.828 13.556 8.080 21 H SER 3 H SER 3 1.165 16.998 7.514 22 HA SER 3 HA SER 3 0.354 16.939 10.306 23 1HB SER 3 2HB SER 3 -1.231 18.724 9.563 24 2HB SER 3 1HB SER 3 0.491 19.117 9.273 25 HG SER 3 HG SER 3 -0.846 19.570 7.474 26 H HIS 4 H HIS 4 -1.073 16.399 7.084 27 HA HIS 4 HA HIS 4 -3.187 14.780 8.352 28 1HB HIS 4 2HB HIS 4 -3.225 16.450 5.774 29 2HB HIS 4 1HB HIS 4 -4.604 15.495 6.410 30 HD1 HIS 4 1HD HIS 4 -5.780 16.410 8.508 31 HD2 HIS 4 2HD HIS 4 -2.909 19.000 6.917 32 HE1 HIS 4 1HE HIS 4 -6.077 18.650 9.677 33 HE2 HIS 4 2HE HIS 4 -4.412 20.193 8.655 34 H PHE 5 H PHE 5 -3.564 12.744 7.627 35 HA PHE 5 HA PHE 5 -1.957 11.774 5.369 36 1HB PHE 5 2HB PHE 5 -3.392 10.335 7.680 37 2HB PHE 5 1HB PHE 5 -2.713 9.480 6.258 38 HD1 PHE 5 1HD PHE 5 -1.868 11.461 9.250 39 HD2 PHE 5 2HD PHE 5 -0.404 9.169 5.986 40 HE1 PHE 5 1HE PHE 5 0.303 11.272 10.361 41 HE2 PHE 5 2HE PHE 5 1.768 8.967 7.100 42 HZ PHE 5 HZ PHE 5 2.119 10.003 9.299 43 H ASN 6 H ASN 6 -3.031 11.371 3.447 44 HA ASN 6 HA ASN 6 -5.795 10.578 3.638 45 1HB ASN 6 2HB ASN 6 -6.554 12.162 1.866 46 2HB ASN 6 1HB ASN 6 -6.047 12.990 3.366 47 1HD2 ASN 6 1HD2 ASN 6 -4.911 12.213 -0.003 48 2HD2 ASN 6 2HD2 ASN 6 -4.038 13.717 -0.114 49 H ASP 7 H ASP 7 -6.671 9.793 1.517 50 HA ASP 7 HA ASP 7 -4.736 8.066 0.404 51 1HB ASP 7 2HB ASP 7 -6.707 7.077 -0.736 52 2HB ASP 7 1HB ASP 7 -7.003 7.299 1.023 53 H CYS 8 H CYS 8 -4.736 7.703 -2.004 54 HA CYS 8 HA CYS 8 -3.694 10.053 -3.120 55 1HB CYS 8 2HB CYS 8 -2.906 8.626 -4.892 56 2HB CYS 8 1HB CYS 8 -2.521 8.013 -3.273 57 HA PRO 9 HA PRO 9 -7.418 10.412 -5.629 58 1HB PRO 9 2HB PRO 9 -7.729 13.101 -5.710 59 2HB PRO 9 1HB PRO 9 -7.973 12.147 -4.211 60 1HG PRO 9 2HG PRO 9 -5.644 13.964 -4.881 61 2HG PRO 9 1HG PRO 9 -6.379 13.561 -3.284 62 1HD PRO 9 2HD PRO 9 -4.057 12.289 -4.580 63 2HD PRO 9 1HD PRO 9 -4.810 11.887 -2.990 64 H LEU 10 H LEU 10 -5.159 13.025 -6.572 65 HA LEU 10 HA LEU 10 -5.697 12.536 -9.291 66 1HB LEU 10 2HB LEU 10 -4.361 14.351 -9.862 67 2HB LEU 10 1HB LEU 10 -5.327 14.786 -8.441 68 HG LEU 10 HG LEU 10 -2.330 14.092 -8.435 69 1HD1 LEU 10 1HD1 LEU 10 -2.863 16.197 -9.639 70 2HD1 LEU 10 2HD1 LEU 10 -2.009 16.519 -8.085 71 3HD1 LEU 10 3HD1 LEU 10 -3.789 16.791 -8.208 72 1HD2 LEU 10 1HD2 LEU 10 -4.153 15.163 -6.183 73 2HD2 LEU 10 2HD2 LEU 10 -2.358 15.162 -6.135 74 3HD2 LEU 10 3HD2 LEU 10 -3.238 13.596 -6.173 75 H SER 11 H SER 11 -2.832 11.919 -7.329 76 HA SER 11 HA SER 11 -1.404 10.864 -9.582 77 1HB SER 11 2HB SER 11 -0.251 12.180 -7.839 78 2HB SER 11 1HB SER 11 -0.646 10.932 -6.619 79 HG SER 11 HG SER 11 0.736 9.596 -7.522 80 H HIS 12 H HIS 12 -1.786 8.912 -10.354 81 HA HIS 12 HA HIS 12 -2.690 6.778 -8.572 82 1HB HIS 12 2HB HIS 12 -2.593 7.163 -11.593 83 2HB HIS 12 1HB HIS 12 -2.763 5.524 -10.903 84 HD1 HIS 12 1HD HIS 12 -4.799 4.952 -9.559 85 HD2 HIS 12 2HD HIS 12 -5.000 8.817 -11.161 86 HE1 HIS 12 1HE HIS 12 -7.215 5.716 -9.349 87 HE2 HIS 12 2HE HIS 12 -7.277 8.064 -10.278 88 H ASP 13 H ASP 13 -1.388 5.338 -7.729 89 HA ASP 13 HA ASP 13 1.281 4.973 -8.639 90 1HB ASP 13 2HB ASP 13 -0.536 3.807 -6.467 91 2HB ASP 13 1HB ASP 13 0.994 2.956 -6.873 92 H GLY 14 H GLY 14 2.166 2.920 -9.135 93 1HA GLY 14 2HA GLY 14 0.448 1.364 -10.959 94 2HA GLY 14 1HA GLY 14 2.113 1.918 -11.338 95 H TYR 15 H TYR 15 3.076 1.363 -8.596 96 HA TYR 15 HA TYR 15 3.312 -1.513 -8.787 97 1HB TYR 15 2HB TYR 15 4.974 0.727 -7.835 98 2HB TYR 15 1HB TYR 15 4.793 -0.471 -6.522 99 HD1 TYR 15 1HD TYR 15 5.176 -2.893 -7.064 100 HD2 TYR 15 2HD TYR 15 6.437 0.265 -9.594 101 HE1 TYR 15 1HE TYR 15 6.785 -4.406 -8.146 102 HE2 TYR 15 2HE TYR 15 8.066 -1.232 -10.665 103 HH TYR 15 HH TYR 15 8.811 -3.370 -10.853 104 H CYS 16 H CYS 16 1.585 0.867 -6.876 105 HA CYS 16 HA CYS 16 1.121 -1.107 -4.803 106 1HB CYS 16 2HB CYS 16 -0.135 1.652 -5.080 107 2HB CYS 16 1HB CYS 16 -0.213 0.555 -3.666 108 H LEU 17 H LEU 17 -0.090 -2.730 -5.368 109 HA LEU 17 HA LEU 17 -2.769 -2.353 -6.285 110 1HB LEU 17 2HB LEU 17 -2.537 -3.854 -8.253 111 2HB LEU 17 1HB LEU 17 -1.662 -2.314 -8.392 112 HG LEU 17 HG LEU 17 0.477 -3.570 -7.692 113 1HD1 LEU 17 1HD1 LEU 17 -0.396 -5.723 -6.863 114 2HD1 LEU 17 2HD1 LEU 17 0.478 -6.026 -8.400 115 3HD1 LEU 17 3HD1 LEU 17 -1.324 -5.980 -8.394 116 1HD2 LEU 17 1HD2 LEU 17 0.872 -4.291 -10.029 117 2HD2 LEU 17 2HD2 LEU 17 -0.021 -2.725 -9.980 118 3HD2 LEU 17 3HD2 LEU 17 -0.904 -4.255 -10.359 119 H HIS 18 H HIS 18 -3.695 -4.758 -6.571 120 HA HIS 18 HA HIS 18 -4.285 -6.577 -5.575 121 1HB HIS 18 2HB HIS 18 -1.788 -7.110 -5.545 122 2HB HIS 18 1HB HIS 18 -1.799 -6.659 -3.827 123 HD1 HIS 18 1HD HIS 18 -3.755 -8.249 -2.437 124 HD2 HIS 18 2HD HIS 18 -2.065 -9.713 -5.982 125 HE1 HIS 18 1HE HIS 18 -3.950 -10.749 -2.349 126 HE2 HIS 18 2HE HIS 18 -2.977 -11.612 -4.512 127 H ASP 19 H ASP 19 -5.434 -4.350 -4.862 128 HA ASP 19 HA ASP 19 -6.530 -3.195 -3.400 129 1HB ASP 19 2HB ASP 19 -6.581 -5.849 -1.884 130 2HB ASP 19 1HB ASP 19 -7.663 -4.445 -1.540 131 H GLY 20 H GLY 20 -4.379 -2.056 -3.182 132 1HA GLY 20 2HA GLY 20 -3.293 -2.307 -0.473 133 2HA GLY 20 1HA GLY 20 -2.534 -1.582 -1.935 134 H VAL 21 H VAL 21 -3.223 -0.598 0.919 135 HA VAL 21 HA VAL 21 -5.011 1.570 0.377 136 HB VAL 21 HB VAL 21 -3.269 1.066 2.809 137 1HG1 VAL 21 1HG1 VAL 21 -5.760 2.841 2.319 138 2HG1 VAL 21 2HG1 VAL 21 -4.086 3.443 2.621 139 3HG1 VAL 21 3HG1 VAL 21 -4.970 2.556 3.907 140 1HG2 VAL 21 1HG2 VAL 21 -5.413 0.159 3.784 141 2HG2 VAL 21 2HG2 VAL 21 -4.785 -0.875 2.458 142 3HG2 VAL 21 3HG2 VAL 21 -6.172 0.235 2.155 143 H CYS 22 H CYS 22 -4.335 3.313 -0.761 144 HA CYS 22 HA CYS 22 -1.495 3.912 -0.835 145 1HB CYS 22 2HB CYS 22 -1.924 5.353 -2.684 146 2HB CYS 22 1HB CYS 22 -2.678 3.770 -2.973 147 H MET 23 H MET 23 -0.541 5.573 0.244 148 HA MET 23 HA MET 23 -2.266 7.826 0.996 149 1HB MET 23 2HB MET 23 0.261 6.786 2.375 150 2HB MET 23 1HB MET 23 -0.562 8.326 2.775 151 1HG MET 23 2HG MET 23 -1.858 5.554 3.017 152 2HG MET 23 1HG MET 23 -1.016 6.398 4.344 153 1HE MET 23 1HE MET 23 -4.763 6.348 5.320 154 2HE MET 23 2HE MET 23 -3.078 5.881 5.735 155 3HE MET 23 3HE MET 23 -3.886 5.153 4.309 156 H TYR 24 H TYR 24 -1.624 9.766 0.167 157 HA TYR 24 HA TYR 24 1.092 9.993 -0.884 158 1HB TYR 24 2HB TYR 24 -0.308 9.634 -2.899 159 2HB TYR 24 1HB TYR 24 -1.514 10.825 -2.283 160 HD1 TYR 24 1HD TYR 24 2.256 11.116 -2.504 161 HD2 TYR 24 2HD TYR 24 -1.595 12.394 -3.798 162 HE1 TYR 24 1HE TYR 24 3.278 12.953 -3.720 163 HE2 TYR 24 2HE TYR 24 -0.590 14.190 -5.056 164 HH TYR 24 HH TYR 24 1.312 15.276 -5.582 165 H ILE 25 H ILE 25 2.086 11.641 0.229 166 HA ILE 25 HA ILE 25 0.331 13.656 1.419 167 HB ILE 25 HB ILE 25 2.994 12.576 2.376 168 1HG1 ILE 25 2HG1 ILE 25 1.280 12.051 4.391 169 2HG1 ILE 25 1HG1 ILE 25 0.120 11.863 3.050 170 1HG2 ILE 25 1HG2 ILE 25 2.410 13.982 4.377 171 2HG2 ILE 25 2HG2 ILE 25 0.944 14.594 3.510 172 3HG2 ILE 25 3HG2 ILE 25 2.607 14.979 2.890 173 1HD1 ILE 25 1HD1 ILE 25 1.212 9.690 3.737 174 2HD1 ILE 25 2HD1 ILE 25 2.830 10.382 3.356 175 3HD1 ILE 25 3HD1 ILE 25 1.640 10.095 2.036 176 H GLU 26 H GLU 26 0.429 15.361 -0.013 177 HA GLU 26 HA GLU 26 2.544 15.904 -1.659 178 1HB GLU 26 2HB GLU 26 0.361 17.721 -0.540 179 2HB GLU 26 1HB GLU 26 1.495 18.197 -1.850 180 1HG GLU 26 2HG GLU 26 0.678 16.328 -3.272 181 2HG GLU 26 1HG GLU 26 -0.555 15.902 -2.034 182 H ALA 27 H ALA 27 2.072 16.962 1.676 183 HA ALA 27 HA ALA 27 4.043 18.894 1.795 184 1HB ALA 27 1HB ALA 27 3.283 16.843 3.960 185 2HB ALA 27 2HB ALA 27 2.381 18.369 3.609 186 3HB ALA 27 3HB ALA 27 4.073 18.437 4.218 187 H LEU 28 H LEU 28 4.406 15.402 1.666 188 HA LEU 28 HA LEU 28 7.250 15.597 2.282 189 1HB LEU 28 2HB LEU 28 5.562 13.123 1.670 190 2HB LEU 28 1HB LEU 28 7.226 13.173 2.325 191 HG LEU 28 HG LEU 28 4.636 14.044 3.712 192 1HD1 LEU 28 1HD1 LEU 28 4.997 11.576 3.545 193 2HD1 LEU 28 2HD1 LEU 28 5.133 12.151 5.247 194 3HD1 LEU 28 3HD1 LEU 28 6.620 11.761 4.309 195 1HD2 LEU 28 1HD2 LEU 28 6.348 15.589 4.496 196 2HD2 LEU 28 2HD2 LEU 28 7.525 14.231 4.755 197 3HD2 LEU 28 3HD2 LEU 28 6.041 14.351 5.776 198 H ASP 29 H ASP 29 5.005 15.087 -0.307 199 HA ASP 29 HA ASP 29 5.094 15.004 -2.427 200 1HB ASP 29 2HB ASP 29 6.969 16.622 -2.314 201 2HB ASP 29 1HB ASP 29 8.137 15.258 -2.367 202 H LYS 30 H LYS 30 5.714 12.783 -0.407 203 HA LYS 30 HA LYS 30 6.277 10.651 -2.351 204 1HB LYS 30 2HB LYS 30 6.984 10.734 0.630 205 2HB LYS 30 1HB LYS 30 7.434 9.448 -0.530 206 1HG LYS 30 2HG LYS 30 8.433 12.349 -0.531 207 2HG LYS 30 1HG LYS 30 9.329 10.903 0.014 208 1HD LYS 30 2HD LYS 30 9.256 9.971 -2.309 209 2HD LYS 30 1HD LYS 30 8.260 11.364 -2.833 210 1HE LYS 30 2HE LYS 30 10.672 11.557 -3.540 211 2HE LYS 30 1HE LYS 30 10.094 12.951 -2.541 212 1HZ LYS 30 1HZ LYS 30 11.258 12.240 -0.736 213 2HZ LYS 30 2HZ LYS 30 12.337 11.815 -1.984 214 3HZ LYS 30 3HZ LYS 30 11.396 10.626 -1.270 215 H TYR 31 H TYR 31 5.730 8.508 -1.484 216 HA TYR 31 HA TYR 31 2.905 8.578 -0.723 217 1HB TYR 31 2HB TYR 31 4.201 6.243 -2.209 218 2HB TYR 31 1HB TYR 31 2.509 6.812 -2.263 219 HD1 TYR 31 1HD TYR 31 1.957 8.743 -3.701 220 HD2 TYR 31 2HD TYR 31 5.892 7.180 -3.480 221 HE1 TYR 31 1HE TYR 31 2.542 9.979 -5.721 222 HE2 TYR 31 2HE TYR 31 6.499 8.403 -5.531 223 HH TYR 31 HH TYR 31 4.236 9.733 -7.574 224 H ALA 32 H ALA 32 2.150 6.497 0.310 225 HA ALA 32 HA ALA 32 4.210 4.635 0.866 226 1HB ALA 32 1HB ALA 32 2.641 5.795 3.262 227 2HB ALA 32 2HB ALA 32 4.411 5.986 2.979 228 3HB ALA 32 3HB ALA 32 3.737 4.359 3.332 229 H CYS 33 H CYS 33 3.378 2.562 0.695 230 HA CYS 33 HA CYS 33 0.442 2.416 0.570 231 1HB CYS 33 2HB CYS 33 2.487 0.796 -0.998 232 2HB CYS 33 1HB CYS 33 0.699 0.618 -1.064 233 H ASN 34 H ASN 34 -0.593 0.712 1.543 234 HA ASN 34 HA ASN 34 1.088 -1.066 3.167 235 1HB ASN 34 2HB ASN 34 -0.068 0.673 4.532 236 2HB ASN 34 1HB ASN 34 -1.642 0.156 3.856 237 1HD2 ASN 34 1HD2 ASN 34 1.258 -1.461 5.468 238 2HD2 ASN 34 2HD2 ASN 34 0.249 -2.401 6.527 239 H CYS 35 H CYS 35 0.290 -3.202 3.494 240 HA CYS 35 HA CYS 35 -1.729 -4.086 1.570 241 1HB CYS 35 2HB CYS 35 0.965 -5.432 2.187 242 2HB CYS 35 1HB CYS 35 -0.315 -6.129 1.144 243 H VAL 36 H VAL 36 -2.339 -6.430 2.111 244 HA VAL 36 HA VAL 36 -2.829 -6.722 4.903 245 HB VAL 36 HB VAL 36 -3.224 -8.725 2.670 246 1HG1 VAL 36 1HG1 VAL 36 -5.126 -9.470 4.151 247 2HG1 VAL 36 2HG1 VAL 36 -4.539 -8.369 5.443 248 3HG1 VAL 36 3HG1 VAL 36 -3.528 -9.771 4.889 249 1HG2 VAL 36 1HG2 VAL 36 -5.583 -7.795 2.602 250 2HG2 VAL 36 2HG2 VAL 36 -4.382 -6.619 1.997 251 3HG2 VAL 36 3HG2 VAL 36 -5.061 -6.441 3.661 252 H VAL 37 H VAL 37 -2.125 -8.642 6.108 253 HA VAL 37 HA VAL 37 0.692 -8.844 5.872 254 HB VAL 37 HB VAL 37 -0.420 -8.522 7.979 255 1HG1 VAL 37 1HG1 VAL 37 -1.580 -10.362 9.126 256 2HG1 VAL 37 2HG1 VAL 37 -1.374 -11.449 7.717 257 3HG1 VAL 37 3HG1 VAL 37 -2.442 -10.003 7.591 258 1HG2 VAL 37 1HG2 VAL 37 1.895 -9.489 7.842 259 2HG2 VAL 37 2HG2 VAL 37 1.187 -11.155 7.853 260 3HG2 VAL 37 3HG2 VAL 37 0.972 -10.078 9.270 261 H GLY 38 H GLY 38 1.988 -10.474 5.232 262 1HA GLY 38 2HA GLY 38 2.587 -12.514 4.580 263 2HA GLY 38 1HA GLY 38 0.913 -13.103 4.816 264 H TYR 39 H TYR 39 1.368 -10.320 2.831 265 HA TYR 39 HA TYR 39 1.338 -11.937 0.384 266 1HB TYR 39 2HB TYR 39 -0.282 -9.378 0.957 267 2HB TYR 39 1HB TYR 39 -0.138 -10.179 -0.659 268 HD1 TYR 39 1HD TYR 39 -1.605 -10.349 2.672 269 HD2 TYR 39 2HD TYR 39 -1.035 -12.442 -0.978 270 HE1 TYR 39 1HE TYR 39 -3.283 -11.971 3.360 271 HE2 TYR 39 2HE TYR 39 -2.725 -14.077 -0.303 272 HH TYR 39 HH TYR 39 -4.377 -13.851 2.844 273 H ILE 40 H ILE 40 3.250 -11.629 -0.529 274 HA ILE 40 HA ILE 40 4.756 -9.264 0.338 275 HB ILE 40 HB ILE 40 6.729 -10.691 0.323 276 1HG1 ILE 40 2HG1 ILE 40 4.710 -12.951 -0.257 277 2HG1 ILE 40 1HG1 ILE 40 5.968 -12.333 -1.382 278 1HG2 ILE 40 1HG2 ILE 40 5.289 -10.242 2.353 279 2HG2 ILE 40 2HG2 ILE 40 6.192 -11.793 2.418 280 3HG2 ILE 40 3HG2 ILE 40 4.434 -11.800 2.044 281 1HD1 ILE 40 1HD1 ILE 40 6.755 -14.409 -0.337 282 2HD1 ILE 40 2HD1 ILE 40 6.490 -13.743 1.311 283 3HD1 ILE 40 3HD1 ILE 40 7.758 -13.028 0.243 284 H GLY 41 H GLY 41 6.910 -9.133 -1.028 285 1HA GLY 41 2HA GLY 41 7.798 -8.714 -3.053 286 2HA GLY 41 1HA GLY 41 6.245 -9.111 -3.866 287 H GLU 42 H GLU 42 7.687 -6.784 -4.563 288 HA GLU 42 HA GLU 42 7.101 -4.573 -3.068 289 1HB GLU 42 2HB GLU 42 7.501 -4.694 -6.105 290 2HB GLU 42 1HB GLU 42 7.804 -3.312 -5.018 291 1HG GLU 42 2HG GLU 42 9.949 -4.002 -5.164 292 2HG GLU 42 1HG GLU 42 9.486 -5.108 -3.826 293 H ARG 43 H ARG 43 5.127 -6.294 -5.221 294 HA ARG 43 HA ARG 43 3.028 -4.227 -5.282 295 1HB ARG 43 2HB ARG 43 2.272 -5.671 -7.302 296 2HB ARG 43 1HB ARG 43 3.742 -4.696 -7.508 297 1HG ARG 43 2HG ARG 43 5.220 -6.536 -7.270 298 2HG ARG 43 1HG ARG 43 3.952 -7.623 -6.606 299 1HD ARG 43 2HD ARG 43 2.822 -7.718 -8.804 300 2HD ARG 43 1HD ARG 43 4.041 -6.572 -9.508 301 HE ARG 43 HE ARG 43 5.663 -8.480 -8.391 302 1HH1 ARG 43 1HH1 ARG 43 3.140 -8.480 -10.924 303 2HH1 ARG 43 2HH1 ARG 43 3.860 -9.807 -11.769 304 1HH2 ARG 43 1HH2 ARG 43 6.437 -10.387 -9.433 305 2HH2 ARG 43 2HH2 ARG 43 5.883 -10.742 -11.025 306 H CYS 44 H CYS 44 3.729 -6.521 -3.235 307 HA CYS 44 HA CYS 44 2.723 -8.081 -2.100 308 1HB CYS 44 2HB CYS 44 0.455 -6.093 -2.398 309 2HB CYS 44 1HB CYS 44 0.519 -7.385 -1.157 310 H GLN 45 H GLN 45 2.976 -9.434 -4.065 311 HA GLN 45 HA GLN 45 0.432 -10.111 -5.374 312 1HB GLN 45 2HB GLN 45 2.513 -9.057 -6.534 313 2HB GLN 45 1HB GLN 45 3.343 -10.585 -6.229 314 1HG GLN 45 2HG GLN 45 2.682 -10.696 -8.462 315 2HG GLN 45 1HG GLN 45 1.525 -11.786 -7.630 316 1HE2 GLN 45 1HE2 GLN 45 0.964 -8.450 -7.039 317 2HE2 GLN 45 2HE2 GLN 45 -0.303 -8.180 -8.234 318 H TYR 46 H TYR 46 3.162 -11.453 -3.615 319 HA TYR 46 HA TYR 46 2.491 -14.180 -4.418 320 1HB TYR 46 2HB TYR 46 4.986 -13.102 -2.983 321 2HB TYR 46 1HB TYR 46 4.772 -14.744 -3.666 322 HD1 TYR 46 1HD TYR 46 5.580 -15.132 -5.797 323 HD2 TYR 46 2HD TYR 46 4.910 -11.114 -4.592 324 HE1 TYR 46 1HE TYR 46 6.802 -14.334 -7.756 325 HE2 TYR 46 2HE TYR 46 6.038 -10.307 -6.555 326 HH TYR 46 HH TYR 46 7.676 -12.493 -8.838 327 H ARG 47 H ARG 47 2.605 -15.828 -2.609 328 HA ARG 47 HA ARG 47 1.529 -14.596 -0.161 329 1HB ARG 47 2HB ARG 47 1.293 -17.369 -1.352 330 2HB ARG 47 1HB ARG 47 0.809 -16.994 0.335 331 1HG ARG 47 2HG ARG 47 -0.728 -15.250 -0.428 332 2HG ARG 47 1HG ARG 47 -0.321 -15.559 -2.140 333 1HD ARG 47 2HD ARG 47 -1.531 -17.694 -0.252 334 2HD ARG 47 1HD ARG 47 -2.537 -16.613 -1.281 335 HE ARG 47 HE ARG 47 -0.793 -18.841 -2.189 336 1HH1 ARG 47 1HH1 ARG 47 -2.905 -16.116 -3.254 337 2HH1 ARG 47 2HH1 ARG 47 -2.576 -16.470 -4.929 338 1HH2 ARG 47 1HH2 ARG 47 -0.658 -19.326 -4.417 339 2HH2 ARG 47 2HH2 ARG 47 -1.779 -18.554 -5.503 340 H ASP 48 H ASP 48 2.262 -15.000 1.866 341 HA ASP 48 HA ASP 48 4.889 -16.158 2.159 342 1HB ASP 48 2HB ASP 48 4.193 -14.120 3.422 343 2HB ASP 48 1HB ASP 48 2.859 -15.058 4.176 344 H LEU 49 H LEU 49 4.568 -18.325 1.470 345 HA LEU 49 HA LEU 49 2.458 -19.915 2.244 346 1HB LEU 49 2HB LEU 49 5.258 -20.461 1.190 347 2HB LEU 49 1HB LEU 49 4.219 -21.816 1.705 348 HG LEU 49 HG LEU 49 2.427 -21.079 0.144 349 1HD1 LEU 49 1HD1 LEU 49 3.036 -18.714 -0.314 350 2HD1 LEU 49 2HD1 LEU 49 3.088 -19.671 -1.834 351 3HD1 LEU 49 3HD1 LEU 49 4.624 -19.235 -1.008 352 1HD2 LEU 49 1HD2 LEU 49 3.543 -22.094 -1.824 353 2HD2 LEU 49 2HD2 LEU 49 4.015 -22.955 -0.311 354 3HD2 LEU 49 3HD2 LEU 49 5.158 -21.793 -1.087 355 H LYS 50 H LYS 50 5.124 -18.941 4.167 356 HA LYS 50 HA LYS 50 5.482 -21.338 5.560 357 1HB LYS 50 2HB LYS 50 6.251 -18.572 6.552 358 2HB LYS 50 1HB LYS 50 7.021 -20.139 6.943 359 1HG LYS 50 2HG LYS 50 7.082 -18.582 4.315 360 2HG LYS 50 1HG LYS 50 8.422 -18.783 5.456 361 1HD LYS 50 2HD LYS 50 7.161 -21.168 3.953 362 2HD LYS 50 1HD LYS 50 8.389 -20.093 3.244 363 1HE LYS 50 2HE LYS 50 9.594 -21.964 3.970 364 2HE LYS 50 1HE LYS 50 9.986 -20.671 5.168 365 1HZ LYS 50 1HZ LYS 50 8.656 -21.710 6.755 366 2HZ LYS 50 2HZ LYS 50 9.440 -22.987 5.996 367 3HZ LYS 50 3HZ LYS 50 7.835 -22.679 5.607 368 H TRP 51 H TRP 51 3.252 -18.660 6.135 369 HA TRP 51 HA TRP 51 2.656 -19.680 8.759 370 1HB TRP 51 2HB TRP 51 1.143 -17.980 9.075 371 2HB TRP 51 1HB TRP 51 2.520 -17.256 8.190 372 HD1 TRP 51 HD TRP 51 1.890 -16.131 5.801 373 HE1 TRP 51 1HE TRP 51 -0.366 -15.746 4.587 374 HE3 TRP 51 3HE TRP 51 -1.153 -18.857 8.806 375 HZ2 TRP 51 2HZ TRP 51 -3.073 -16.182 5.100 376 HZ3 TRP 51 3HZ TRP 51 -3.557 -18.844 8.392 377 HH2 TRP 51 HH TRP 51 -4.514 -17.537 6.563 378 H TRP 52 H TRP 52 1.292 -19.944 5.546 379 HA TRP 52 HA TRP 52 -1.105 -21.174 6.237 380 1HB TRP 52 2HB TRP 52 0.624 -21.361 3.710 381 2HB TRP 52 1HB TRP 52 -0.997 -22.118 3.849 382 HD1 TRP 52 HD TRP 52 0.566 -18.670 3.218 383 HE1 TRP 52 1HE TRP 52 -1.338 -17.058 2.676 384 HE3 TRP 52 3HE TRP 52 -3.364 -21.699 4.284 385 HZ2 TRP 52 2HZ TRP 52 -4.155 -17.201 2.345 386 HZ3 TRP 52 3HZ TRP 52 -5.629 -20.917 3.792 387 HH2 TRP 52 HH TRP 52 -6.022 -18.705 2.855 388 H GLU 53 H GLU 53 1.911 -22.740 5.103 389 HA GLU 53 HA GLU 53 0.664 -25.308 5.625 390 1HB GLU 53 2HB GLU 53 1.947 -24.514 3.470 391 2HB GLU 53 1HB GLU 53 3.401 -24.890 4.417 392 1HG GLU 53 2HG GLU 53 2.999 -26.882 3.239 393 2HG GLU 53 1HG GLU 53 2.249 -27.275 4.818 394 H LEU 54 H LEU 54 1.114 -24.015 7.982 395 HA LEU 54 HA LEU 54 3.499 -25.244 9.136 396 1HB LEU 54 2HB LEU 54 2.814 -22.733 9.217 397 2HB LEU 54 1HB LEU 54 1.632 -23.222 10.455 398 HG LEU 54 HG LEU 54 4.641 -23.884 10.584 399 1HD1 LEU 54 1HD1 LEU 54 3.249 -21.403 11.770 400 2HD1 LEU 54 2HD1 LEU 54 4.303 -21.409 10.310 401 3HD1 LEU 54 3HD1 LEU 54 4.995 -21.851 11.915 402 1HD2 LEU 54 1HD2 LEU 54 2.487 -23.645 12.791 403 2HD2 LEU 54 2HD2 LEU 54 4.231 -23.974 13.081 404 3HD2 LEU 54 3HD2 LEU 54 3.211 -25.180 12.196
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