NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22350 | 2jny | 15133 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -12.003 16.506 14.050 2 2H MET 1 2HT MET 1 -11.663 16.368 12.395 3 3H MET 1 3HT MET 1 -11.308 17.805 13.215 4 HA MET 1 HA MET 1 -9.637 16.729 14.531 5 1HB MET 1 2HB MET 1 -9.042 14.397 14.137 6 2HB MET 1 1HB MET 1 -10.718 14.520 14.645 7 1HG MET 1 2HG MET 1 -11.467 14.219 12.364 8 2HG MET 1 1HG MET 1 -9.797 14.197 11.793 9 1HE MET 1 1HE MET 1 -8.112 12.216 12.205 10 2HE MET 1 2HE MET 1 -8.433 10.869 13.297 11 3HE MET 1 3HE MET 1 -8.284 12.508 13.936 12 H SER 2 H SER 2 -10.313 17.766 11.605 13 HA SER 2 HA SER 2 -9.177 18.361 9.742 14 1HB SER 2 2HB SER 2 -6.742 17.620 11.381 15 2HB SER 2 1HB SER 2 -6.712 18.522 9.865 16 HG SER 2 HG SER 2 -7.837 20.186 10.850 17 H LEU 3 H LEU 3 -7.048 17.365 8.356 18 HA LEU 3 HA LEU 3 -6.387 15.707 6.951 19 1HB LEU 3 2HB LEU 3 -7.242 14.031 9.295 20 2HB LEU 3 1HB LEU 3 -6.662 13.297 7.817 21 HG LEU 3 HG LEU 3 -4.845 13.359 9.366 22 1HD1 LEU 3 1HD1 LEU 3 -4.493 15.567 7.350 23 2HD1 LEU 3 2HD1 LEU 3 -4.274 13.841 7.050 24 3HD1 LEU 3 3HD1 LEU 3 -3.197 14.688 8.163 25 1HD2 LEU 3 1HD2 LEU 3 -5.346 16.317 9.645 26 2HD2 LEU 3 2HD2 LEU 3 -4.010 15.424 10.367 27 3HD2 LEU 3 3HD2 LEU 3 -5.666 15.090 10.869 28 H ASP 4 H ASP 4 -7.335 13.420 6.042 29 HA ASP 4 HA ASP 4 -10.217 13.790 5.587 30 1HB ASP 4 2HB ASP 4 -8.749 14.714 3.685 31 2HB ASP 4 1HB ASP 4 -8.345 13.035 3.339 32 HA PRO 5 HA PRO 5 -9.333 9.444 6.841 33 1HB PRO 5 2HB PRO 5 -11.749 9.084 8.052 34 2HB PRO 5 1HB PRO 5 -10.349 9.795 8.862 35 1HG PRO 5 2HG PRO 5 -12.705 11.152 7.611 36 2HG PRO 5 1HG PRO 5 -11.885 11.514 9.141 37 1HD PRO 5 2HD PRO 5 -11.447 12.952 6.896 38 2HD PRO 5 1HD PRO 5 -10.172 12.660 8.099 39 H GLN 6 H GLN 6 -11.852 10.925 4.997 40 HA GLN 6 HA GLN 6 -13.325 8.665 4.193 41 1HB GLN 6 2HB GLN 6 -13.882 11.140 3.918 42 2HB GLN 6 1HB GLN 6 -12.809 11.138 2.535 43 1HG GLN 6 2HG GLN 6 -15.155 9.282 2.714 44 2HG GLN 6 1HG GLN 6 -15.313 10.934 2.123 45 1HE2 GLN 6 1HE2 GLN 6 -14.332 7.742 1.421 46 2HE2 GLN 6 2HE2 GLN 6 -13.850 8.007 -0.218 47 H LEU 7 H LEU 7 -10.486 10.267 2.799 48 HA LEU 7 HA LEU 7 -10.358 8.473 0.553 49 1HB LEU 7 2HB LEU 7 -8.332 10.471 1.561 50 2HB LEU 7 1HB LEU 7 -8.287 9.665 0.005 51 HG LEU 7 HG LEU 7 -10.408 11.614 0.910 52 1HD1 LEU 7 1HD1 LEU 7 -9.440 13.106 -0.752 53 2HD1 LEU 7 2HD1 LEU 7 -8.183 11.920 -1.098 54 3HD1 LEU 7 3HD1 LEU 7 -8.261 12.686 0.489 55 1HD2 LEU 7 1HD2 LEU 7 -10.001 10.249 -1.747 56 2HD2 LEU 7 2HD2 LEU 7 -11.192 11.504 -1.402 57 3HD2 LEU 7 3HD2 LEU 7 -11.309 9.936 -0.604 58 H LEU 8 H LEU 8 -9.822 7.742 3.613 59 HA LEU 8 HA LEU 8 -7.452 6.086 3.038 60 1HB LEU 8 2HB LEU 8 -8.316 7.276 5.674 61 2HB LEU 8 1HB LEU 8 -6.973 6.170 5.472 62 HG LEU 8 HG LEU 8 -7.145 8.919 4.232 63 1HD1 LEU 8 1HD1 LEU 8 -6.947 9.034 6.662 64 2HD1 LEU 8 2HD1 LEU 8 -5.455 9.551 5.874 65 3HD1 LEU 8 3HD1 LEU 8 -5.558 7.948 6.604 66 1HD2 LEU 8 1HD2 LEU 8 -4.790 8.572 3.705 67 2HD2 LEU 8 2HD2 LEU 8 -5.803 7.350 2.932 68 3HD2 LEU 8 3HD2 LEU 8 -4.876 6.942 4.378 69 H GLU 9 H GLU 9 -10.107 6.228 5.407 70 HA GLU 9 HA GLU 9 -11.464 4.655 6.305 71 1HB GLU 9 2HB GLU 9 -10.897 3.188 3.728 72 2HB GLU 9 1HB GLU 9 -12.098 2.691 4.909 73 1HG GLU 9 2HG GLU 9 -13.176 4.947 4.589 74 2HG GLU 9 1HG GLU 9 -12.090 5.169 3.216 75 H VAL 10 H VAL 10 -11.431 1.905 6.363 76 HA VAL 10 HA VAL 10 -8.855 1.397 7.693 77 HB VAL 10 HB VAL 10 -11.519 0.037 8.142 78 1HG1 VAL 10 1HG1 VAL 10 -9.626 -1.464 8.533 79 2HG1 VAL 10 2HG1 VAL 10 -10.435 -1.049 10.046 80 3HG1 VAL 10 3HG1 VAL 10 -8.908 -0.277 9.622 81 1HG2 VAL 10 1HG2 VAL 10 -10.021 2.031 9.838 82 2HG2 VAL 10 2HG2 VAL 10 -11.474 1.164 10.336 83 3HG2 VAL 10 3HG2 VAL 10 -11.546 2.306 8.992 84 H LEU 11 H LEU 11 -7.524 0.185 6.536 85 HA LEU 11 HA LEU 11 -8.637 -1.836 4.717 86 1HB LEU 11 2HB LEU 11 -5.895 -0.564 4.736 87 2HB LEU 11 1HB LEU 11 -6.468 -1.737 3.563 88 HG LEU 11 HG LEU 11 -7.616 1.034 3.953 89 1HD1 LEU 11 1HD1 LEU 11 -5.846 -0.077 1.776 90 2HD1 LEU 11 2HD1 LEU 11 -5.385 1.124 2.986 91 3HD1 LEU 11 3HD1 LEU 11 -6.605 1.515 1.770 92 1HD2 LEU 11 1HD2 LEU 11 -8.849 0.562 1.892 93 2HD2 LEU 11 2HD2 LEU 11 -9.284 -0.570 3.174 94 3HD2 LEU 11 3HD2 LEU 11 -8.200 -1.077 1.877 95 H ALA 12 H ALA 12 -8.635 -3.824 5.544 96 HA ALA 12 HA ALA 12 -6.470 -4.548 7.410 97 1HB ALA 12 1HB ALA 12 -8.690 -4.455 8.459 98 2HB ALA 12 2HB ALA 12 -8.019 -6.087 8.475 99 3HB ALA 12 3HB ALA 12 -9.273 -5.661 7.309 100 H CYS 13 H CYS 13 -5.688 -6.700 7.364 101 HA CYS 13 HA CYS 13 -5.261 -7.751 4.767 102 1HB CYS 13 2HB CYS 13 -3.567 -8.011 6.475 103 2HB CYS 13 1HB CYS 13 -4.687 -8.880 7.517 104 HG CYS 13 HG CYS 13 -3.314 -10.017 4.586 105 HA PRO 14 HA PRO 14 -8.877 -10.274 4.255 106 1HB PRO 14 2HB PRO 14 -7.115 -11.988 2.607 107 2HB PRO 14 1HB PRO 14 -8.618 -11.168 2.168 108 1HG PRO 14 2HG PRO 14 -6.260 -10.279 1.285 109 2HG PRO 14 1HG PRO 14 -7.550 -9.154 1.749 110 1HD PRO 14 2HD PRO 14 -5.093 -9.951 3.265 111 2HD PRO 14 1HD PRO 14 -5.852 -8.354 3.109 112 H LYS 15 H LYS 15 -5.795 -11.650 5.239 113 HA LYS 15 HA LYS 15 -7.143 -14.091 6.144 114 1HB LYS 15 2HB LYS 15 -4.219 -13.422 5.823 115 2HB LYS 15 1HB LYS 15 -4.785 -14.890 6.607 116 1HG LYS 15 2HG LYS 15 -6.049 -15.375 4.465 117 2HG LYS 15 1HG LYS 15 -5.107 -14.071 3.741 118 1HD LYS 15 2HD LYS 15 -3.887 -16.450 5.137 119 2HD LYS 15 1HD LYS 15 -4.168 -16.370 3.398 120 1HE LYS 15 2HE LYS 15 -2.707 -14.420 3.245 121 2HE LYS 15 1HE LYS 15 -2.437 -14.472 4.987 122 1HZ LYS 15 1HZ LYS 15 -0.650 -15.513 3.606 123 2HZ LYS 15 2HZ LYS 15 -1.762 -16.718 3.164 124 3HZ LYS 15 3HZ LYS 15 -1.313 -16.535 4.787 125 H ASP 16 H ASP 16 -4.795 -11.718 7.394 126 HA ASP 16 HA ASP 16 -5.018 -12.693 10.074 127 1HB ASP 16 2HB ASP 16 -2.948 -11.676 9.263 128 2HB ASP 16 1HB ASP 16 -3.782 -10.151 8.993 129 H LYS 17 H LYS 17 -6.604 -10.285 8.188 130 HA LYS 17 HA LYS 17 -8.371 -8.927 8.524 131 1HB LYS 17 2HB LYS 17 -9.240 -11.057 9.661 132 2HB LYS 17 1HB LYS 17 -8.862 -10.258 11.180 133 1HG LYS 17 2HG LYS 17 -11.221 -10.016 10.564 134 2HG LYS 17 1HG LYS 17 -10.395 -8.456 10.652 135 1HD LYS 17 2HD LYS 17 -10.102 -8.514 8.196 136 2HD LYS 17 1HD LYS 17 -11.030 -10.014 8.144 137 1HE LYS 17 2HE LYS 17 -12.973 -8.874 9.034 138 2HE LYS 17 1HE LYS 17 -12.050 -7.380 9.197 139 1HZ LYS 17 1HZ LYS 17 -12.657 -8.770 6.642 140 2HZ LYS 17 2HZ LYS 17 -11.769 -7.336 6.797 141 3HZ LYS 17 3HZ LYS 17 -13.415 -7.364 7.209 142 H GLY 18 H GLY 18 -5.624 -8.648 10.039 143 1HA GLY 18 2HA GLY 18 -6.383 -6.568 11.933 144 2HA GLY 18 1HA GLY 18 -4.757 -7.177 11.648 145 HA PRO 19 HA PRO 19 -5.895 -3.171 9.190 146 1HB PRO 19 2HB PRO 19 -4.710 -1.339 10.856 147 2HB PRO 19 1HB PRO 19 -6.435 -1.714 10.863 148 1HG PRO 19 2HG PRO 19 -4.272 -2.703 12.669 149 2HG PRO 19 1HG PRO 19 -5.931 -2.220 13.067 150 1HD PRO 19 2HD PRO 19 -5.193 -4.806 12.868 151 2HD PRO 19 1HD PRO 19 -6.815 -4.248 12.399 152 H LEU 20 H LEU 20 -4.479 -2.800 7.653 153 HA LEU 20 HA LEU 20 -1.727 -3.621 7.967 154 1HB LEU 20 2HB LEU 20 -3.173 -2.411 5.604 155 2HB LEU 20 1HB LEU 20 -1.562 -3.104 5.567 156 HG LEU 20 HG LEU 20 -4.058 -4.658 6.250 157 1HD1 LEU 20 1HD1 LEU 20 -2.515 -4.513 3.664 158 2HD1 LEU 20 2HD1 LEU 20 -4.150 -3.908 3.943 159 3HD1 LEU 20 3HD1 LEU 20 -3.825 -5.640 4.019 160 1HD2 LEU 20 1HD2 LEU 20 -2.070 -5.614 7.229 161 2HD2 LEU 20 2HD2 LEU 20 -1.221 -5.502 5.689 162 3HD2 LEU 20 3HD2 LEU 20 -2.586 -6.603 5.863 163 H ARG 21 H ARG 21 0.084 -2.272 7.764 164 HA ARG 21 HA ARG 21 -0.398 0.431 8.681 165 1HB ARG 21 2HB ARG 21 1.432 -1.122 9.570 166 2HB ARG 21 1HB ARG 21 2.294 -0.791 8.073 167 1HG ARG 21 2HG ARG 21 2.476 1.523 8.596 168 2HG ARG 21 1HG ARG 21 1.374 1.357 9.963 169 1HD ARG 21 2HD ARG 21 3.044 -0.194 11.006 170 2HD ARG 21 1HD ARG 21 4.159 0.231 9.708 171 HE ARG 21 HE ARG 21 3.447 2.645 10.700 172 1HH1 ARG 21 1HH1 ARG 21 4.701 -0.283 12.203 173 2HH1 ARG 21 2HH1 ARG 21 5.455 0.577 13.511 174 1HH2 ARG 21 1HH2 ARG 21 4.446 3.756 12.439 175 2HH2 ARG 21 2HH2 ARG 21 5.310 2.849 13.652 176 H TYR 22 H TYR 22 -0.522 2.123 7.429 177 HA TYR 22 HA TYR 22 -0.216 1.736 4.563 178 1HB TYR 22 2HB TYR 22 -2.301 2.684 5.453 179 2HB TYR 22 1HB TYR 22 -1.402 4.019 6.163 180 HD1 TYR 22 1HD TYR 22 -2.569 2.534 2.996 181 HD2 TYR 22 2HD TYR 22 -0.728 5.899 4.836 182 HE1 TYR 22 1HE TYR 22 -2.918 3.842 0.943 183 HE2 TYR 22 2HE TYR 22 -1.067 7.213 2.785 184 HH TYR 22 HH TYR 22 -3.160 6.307 0.352 185 H LEU 23 H LEU 23 1.666 2.207 3.649 186 HA LEU 23 HA LEU 23 3.311 4.392 4.690 187 1HB LEU 23 2HB LEU 23 3.799 2.281 2.590 188 2HB LEU 23 1HB LEU 23 4.884 3.636 2.813 189 HG LEU 23 HG LEU 23 5.843 1.782 3.945 190 1HD1 LEU 23 1HD1 LEU 23 4.510 3.571 5.968 191 2HD1 LEU 23 2HD1 LEU 23 6.032 3.884 5.133 192 3HD1 LEU 23 3HD1 LEU 23 5.910 2.542 6.270 193 1HD2 LEU 23 1HD2 LEU 23 3.837 0.389 4.113 194 2HD2 LEU 23 2HD2 LEU 23 3.225 1.429 5.399 195 3HD2 LEU 23 3HD2 LEU 23 4.694 0.486 5.651 196 H GLU 24 H GLU 24 2.906 6.372 3.975 197 HA GLU 24 HA GLU 24 1.110 6.822 1.810 198 1HB GLU 24 2HB GLU 24 2.827 8.971 3.019 199 2HB GLU 24 1HB GLU 24 1.205 9.101 2.359 200 1HG GLU 24 2HG GLU 24 0.691 9.205 4.551 201 2HG GLU 24 1HG GLU 24 0.671 7.450 4.365 202 H SER 25 H SER 25 4.581 6.744 2.067 203 HA SER 25 HA SER 25 5.171 8.530 -0.037 204 1HB SER 25 2HB SER 25 6.863 6.255 1.015 205 2HB SER 25 1HB SER 25 7.436 7.631 0.073 206 HG SER 25 HG SER 25 6.665 8.984 1.813 207 H GLU 26 H GLU 26 4.610 5.035 -0.033 208 HA GLU 26 HA GLU 26 4.836 5.093 -2.962 209 1HB GLU 26 2HB GLU 26 5.988 2.984 -1.128 210 2HB GLU 26 1HB GLU 26 5.947 2.874 -2.884 211 1HG GLU 26 2HG GLU 26 7.365 4.842 -3.055 212 2HG GLU 26 1HG GLU 26 7.368 5.006 -1.302 213 H GLN 27 H GLN 27 2.657 4.887 -0.758 214 HA GLN 27 HA GLN 27 0.685 3.836 -0.383 215 1HB GLN 27 2HB GLN 27 1.049 3.753 -3.322 216 2HB GLN 27 1HB GLN 27 -0.230 2.748 -2.657 217 1HG GLN 27 2HG GLN 27 -1.138 4.869 -3.309 218 2HG GLN 27 1HG GLN 27 -1.178 4.730 -1.551 219 1HE2 GLN 27 1HE2 GLN 27 -1.228 6.890 -1.161 220 2HE2 GLN 27 2HE2 GLN 27 0.105 7.947 -1.475 221 H LEU 28 H LEU 28 2.163 2.317 0.843 222 HA LEU 28 HA LEU 28 1.817 -0.412 -0.209 223 1HB LEU 28 2HB LEU 28 3.967 0.668 1.612 224 2HB LEU 28 1HB LEU 28 3.733 -1.035 1.268 225 HG LEU 28 HG LEU 28 4.426 1.058 -0.794 226 1HD1 LEU 28 1HD1 LEU 28 6.632 -0.002 -0.820 227 2HD1 LEU 28 2HD1 LEU 28 6.143 -1.051 0.512 228 3HD1 LEU 28 3HD1 LEU 28 6.267 0.690 0.762 229 1HD2 LEU 28 1HD2 LEU 28 3.145 -0.813 -1.698 230 2HD2 LEU 28 2HD2 LEU 28 4.280 -1.950 -0.968 231 3HD2 LEU 28 3HD2 LEU 28 4.819 -0.864 -2.249 232 H LEU 29 H LEU 29 0.799 -1.866 1.039 233 HA LEU 29 HA LEU 29 0.006 -1.010 3.749 234 1HB LEU 29 2HB LEU 29 -1.318 -2.988 1.887 235 2HB LEU 29 1HB LEU 29 -1.864 -2.610 3.509 236 HG LEU 29 HG LEU 29 -1.763 -0.630 1.232 237 1HD1 LEU 29 1HD1 LEU 29 -4.206 -0.844 1.210 238 2HD1 LEU 29 2HD1 LEU 29 -4.096 -2.138 2.405 239 3HD1 LEU 29 3HD1 LEU 29 -3.412 -2.366 0.794 240 1HD2 LEU 29 1HD2 LEU 29 -3.138 0.751 2.724 241 2HD2 LEU 29 2HD2 LEU 29 -1.546 0.422 3.412 242 3HD2 LEU 29 3HD2 LEU 29 -2.960 -0.461 3.994 243 H VAL 30 H VAL 30 1.298 -1.953 5.208 244 HA VAL 30 HA VAL 30 2.300 -4.652 4.571 245 HB VAL 30 HB VAL 30 3.634 -2.560 6.302 246 1HG1 VAL 30 1HG1 VAL 30 4.172 -4.822 7.018 247 2HG1 VAL 30 2HG1 VAL 30 5.570 -4.079 6.246 248 3HG1 VAL 30 3HG1 VAL 30 4.606 -5.264 5.367 249 1HG2 VAL 30 1HG2 VAL 30 5.278 -2.386 4.493 250 2HG2 VAL 30 2HG2 VAL 30 3.666 -1.916 3.956 251 3HG2 VAL 30 3HG2 VAL 30 4.316 -3.494 3.513 252 H ASN 31 H ASN 31 1.752 -6.259 5.896 253 HA ASN 31 HA ASN 31 0.536 -5.667 8.480 254 1HB ASN 31 2HB ASN 31 -0.379 -7.493 7.020 255 2HB ASN 31 1HB ASN 31 1.136 -8.369 7.233 256 1HD2 ASN 31 1HD2 ASN 31 -1.892 -7.543 8.609 257 2HD2 ASN 31 2HD2 ASN 31 -1.741 -8.467 10.064 258 H GLU 32 H GLU 32 1.766 -5.436 10.225 259 HA GLU 32 HA GLU 32 4.610 -5.783 9.913 260 1HB GLU 32 2HB GLU 32 3.458 -3.795 10.943 261 2HB GLU 32 1HB GLU 32 3.098 -4.810 12.331 262 1HG GLU 32 2HG GLU 32 5.408 -5.053 12.846 263 2HG GLU 32 1HG GLU 32 5.879 -4.271 11.334 264 H ARG 33 H ARG 33 2.193 -7.785 10.933 265 HA ARG 33 HA ARG 33 3.793 -9.090 13.004 266 1HB ARG 33 2HB ARG 33 0.926 -9.587 12.180 267 2HB ARG 33 1HB ARG 33 1.737 -10.262 13.589 268 1HG ARG 33 2HG ARG 33 1.883 -8.136 14.637 269 2HG ARG 33 1HG ARG 33 1.384 -7.304 13.164 270 1HD ARG 33 2HD ARG 33 -0.471 -7.353 14.664 271 2HD ARG 33 1HD ARG 33 -0.811 -8.457 13.334 272 HE ARG 33 HE ARG 33 0.159 -9.382 15.965 273 1HH1 ARG 33 1HH1 ARG 33 -1.945 -9.654 13.191 274 2HH1 ARG 33 2HH1 ARG 33 -2.801 -11.031 13.800 275 1HH2 ARG 33 1HH2 ARG 33 -1.015 -11.156 16.819 276 2HH2 ARG 33 2HH2 ARG 33 -2.291 -11.868 15.874 277 H LEU 34 H LEU 34 2.284 -9.681 9.873 278 HA LEU 34 HA LEU 34 3.421 -12.363 9.755 279 1HB LEU 34 2HB LEU 34 1.749 -10.842 7.749 280 2HB LEU 34 1HB LEU 34 2.235 -12.519 7.597 281 HG LEU 34 HG LEU 34 0.409 -11.401 9.729 282 1HD1 LEU 34 1HD1 LEU 34 -0.615 -11.485 7.507 283 2HD1 LEU 34 2HD1 LEU 34 -1.323 -12.686 8.588 284 3HD1 LEU 34 3HD1 LEU 34 -0.160 -13.183 7.357 285 1HD2 LEU 34 1HD2 LEU 34 1.732 -13.250 10.578 286 2HD2 LEU 34 2HD2 LEU 34 1.305 -14.226 9.174 287 3HD2 LEU 34 3HD2 LEU 34 0.062 -13.756 10.334 288 H ASN 35 H ASN 35 4.188 -9.186 8.828 289 HA ASN 35 HA ASN 35 5.926 -8.236 7.726 290 1HB ASN 35 2HB ASN 35 7.043 -11.052 7.681 291 2HB ASN 35 1HB ASN 35 7.930 -9.617 7.182 292 1HD2 ASN 35 1HD2 ASN 35 6.746 -7.973 9.312 293 2HD2 ASN 35 2HD2 ASN 35 7.524 -8.466 10.773 294 H LEU 36 H LEU 36 3.608 -9.041 6.349 295 HA LEU 36 HA LEU 36 4.689 -9.570 3.660 296 1HB LEU 36 2HB LEU 36 1.949 -10.218 4.758 297 2HB LEU 36 1HB LEU 36 2.439 -10.439 3.089 298 HG LEU 36 HG LEU 36 3.707 -11.858 5.431 299 1HD1 LEU 36 1HD1 LEU 36 1.665 -12.843 3.447 300 2HD1 LEU 36 2HD1 LEU 36 1.388 -12.546 5.163 301 3HD1 LEU 36 3HD1 LEU 36 2.487 -13.830 4.657 302 1HD2 LEU 36 1HD2 LEU 36 5.186 -11.606 3.505 303 2HD2 LEU 36 2HD2 LEU 36 3.946 -12.289 2.457 304 3HD2 LEU 36 3HD2 LEU 36 4.689 -13.284 3.706 305 H ALA 37 H ALA 37 3.840 -8.321 1.942 306 HA ALA 37 HA ALA 37 2.524 -5.849 2.861 307 1HB ALA 37 1HB ALA 37 4.705 -6.065 0.791 308 2HB ALA 37 2HB ALA 37 4.917 -5.492 2.443 309 3HB ALA 37 3HB ALA 37 3.910 -4.583 1.319 310 H TYR 38 H TYR 38 0.965 -5.001 1.641 311 HA TYR 38 HA TYR 38 0.267 -6.339 -0.891 312 1HB TYR 38 2HB TYR 38 -1.484 -4.755 1.010 313 2HB TYR 38 1HB TYR 38 -2.019 -5.432 -0.522 314 HD1 TYR 38 1HD TYR 38 -2.548 -7.750 -0.725 315 HD2 TYR 38 2HD TYR 38 -0.967 -6.229 2.917 316 HE1 TYR 38 1HE TYR 38 -3.188 -9.829 0.415 317 HE2 TYR 38 2HE TYR 38 -1.597 -8.306 4.067 318 HH TYR 38 HH TYR 38 -2.583 -11.107 2.385 319 H ARG 39 H ARG 39 0.093 -5.085 -2.721 320 HA ARG 39 HA ARG 39 1.036 -2.327 -2.413 321 1HB ARG 39 2HB ARG 39 0.957 -4.207 -4.761 322 2HB ARG 39 1HB ARG 39 1.241 -2.485 -4.965 323 1HG ARG 39 2HG ARG 39 3.200 -2.658 -3.486 324 2HG ARG 39 1HG ARG 39 2.931 -4.399 -3.371 325 1HD ARG 39 2HD ARG 39 3.307 -4.671 -5.723 326 2HD ARG 39 1HD ARG 39 3.369 -2.927 -5.962 327 HE ARG 39 HE ARG 39 5.384 -3.187 -4.304 328 1HH1 ARG 39 1HH1 ARG 39 4.527 -5.213 -7.036 329 2HH1 ARG 39 2HH1 ARG 39 6.161 -5.730 -7.314 330 1HH2 ARG 39 1HH2 ARG 39 7.513 -3.856 -4.678 331 2HH2 ARG 39 2HH2 ARG 39 7.858 -4.985 -5.957 332 H ILE 40 H ILE 40 -0.125 -0.588 -2.958 333 HA ILE 40 HA ILE 40 -2.813 -0.987 -4.044 334 HB ILE 40 HB ILE 40 -1.511 1.602 -3.164 335 1HG1 ILE 40 2HG1 ILE 40 -3.440 -0.174 -1.649 336 2HG1 ILE 40 1HG1 ILE 40 -1.723 -0.018 -1.296 337 1HG2 ILE 40 1HG2 ILE 40 -3.817 2.452 -3.115 338 2HG2 ILE 40 2HG2 ILE 40 -4.393 0.899 -3.728 339 3HG2 ILE 40 3HG2 ILE 40 -3.347 1.912 -4.729 340 1HD1 ILE 40 1HD1 ILE 40 -3.785 2.161 -1.097 341 2HD1 ILE 40 2HD1 ILE 40 -2.062 2.349 -0.767 342 3HD1 ILE 40 3HD1 ILE 40 -3.044 1.293 0.246 343 H ASP 41 H ASP 41 -2.977 -1.027 -6.186 344 HA ASP 41 HA ASP 41 -0.780 0.183 -7.724 345 1HB ASP 41 2HB ASP 41 -0.948 -2.290 -7.820 346 2HB ASP 41 1HB ASP 41 -2.566 -2.132 -8.496 347 H ASP 42 H ASP 42 -1.478 2.120 -8.280 348 HA ASP 42 HA ASP 42 -2.562 3.745 -9.414 349 1HB ASP 42 2HB ASP 42 -2.238 2.053 -11.270 350 2HB ASP 42 1HB ASP 42 -3.900 1.544 -10.995 351 H GLY 43 H GLY 43 -3.662 3.075 -7.001 352 1HA GLY 43 2HA GLY 43 -5.532 4.054 -5.957 353 2HA GLY 43 1HA GLY 43 -6.403 3.969 -7.478 354 H ILE 44 H ILE 44 -5.313 1.036 -7.530 355 HA ILE 44 HA ILE 44 -7.574 -0.012 -5.960 356 HB ILE 44 HB ILE 44 -6.198 -1.263 -8.344 357 1HG1 ILE 44 2HG1 ILE 44 -7.540 0.697 -8.963 358 2HG1 ILE 44 1HG1 ILE 44 -8.281 -0.790 -9.548 359 1HG2 ILE 44 1HG2 ILE 44 -7.063 -2.932 -6.790 360 2HG2 ILE 44 2HG2 ILE 44 -8.007 -2.906 -8.279 361 3HG2 ILE 44 3HG2 ILE 44 -8.643 -2.147 -6.818 362 1HD1 ILE 44 1HD1 ILE 44 -9.944 0.741 -8.667 363 2HD1 ILE 44 2HD1 ILE 44 -9.123 0.763 -7.106 364 3HD1 ILE 44 3HD1 ILE 44 -9.868 -0.724 -7.692 365 HA PRO 45 HA PRO 45 -4.243 -1.945 -3.571 366 1HB PRO 45 2HB PRO 45 -6.268 -2.405 -1.553 367 2HB PRO 45 1HB PRO 45 -4.884 -1.314 -1.489 368 1HG PRO 45 2HG PRO 45 -7.487 -0.468 -1.587 369 2HG PRO 45 1HG PRO 45 -6.115 0.490 -2.171 370 1HD PRO 45 2HD PRO 45 -8.066 -1.173 -3.723 371 2HD PRO 45 1HD PRO 45 -7.369 0.413 -4.121 372 H VAL 46 H VAL 46 -3.778 -3.981 -4.145 373 HA VAL 46 HA VAL 46 -5.931 -5.827 -4.750 374 HB VAL 46 HB VAL 46 -2.978 -6.434 -4.882 375 1HG1 VAL 46 1HG1 VAL 46 -5.383 -7.580 -6.296 376 2HG1 VAL 46 2HG1 VAL 46 -4.426 -8.363 -5.039 377 3HG1 VAL 46 3HG1 VAL 46 -3.710 -8.035 -6.616 378 1HG2 VAL 46 1HG2 VAL 46 -4.701 -5.200 -7.032 379 2HG2 VAL 46 2HG2 VAL 46 -3.034 -5.746 -7.231 380 3HG2 VAL 46 3HG2 VAL 46 -3.397 -4.393 -6.158 381 H LEU 47 H LEU 47 -6.800 -6.217 -2.703 382 HA LEU 47 HA LEU 47 -5.066 -7.445 -0.703 383 1HB LEU 47 2HB LEU 47 -7.974 -6.633 -0.560 384 2HB LEU 47 1HB LEU 47 -7.051 -7.302 0.771 385 HG LEU 47 HG LEU 47 -6.500 -4.665 -0.589 386 1HD1 LEU 47 1HD1 LEU 47 -8.525 -4.607 0.750 387 2HD1 LEU 47 2HD1 LEU 47 -7.240 -3.688 1.533 388 3HD1 LEU 47 3HD1 LEU 47 -7.659 -5.297 2.122 389 1HD2 LEU 47 1HD2 LEU 47 -4.876 -4.322 1.205 390 2HD2 LEU 47 2HD2 LEU 47 -4.461 -5.729 0.230 391 3HD2 LEU 47 3HD2 LEU 47 -5.200 -5.944 1.815 392 H LEU 48 H LEU 48 -4.673 -9.487 -1.425 393 HA LEU 48 HA LEU 48 -6.988 -11.298 -1.478 394 1HB LEU 48 2HB LEU 48 -4.629 -11.354 -3.356 395 2HB LEU 48 1HB LEU 48 -5.793 -12.654 -3.206 396 HG LEU 48 HG LEU 48 -6.438 -9.844 -4.110 397 1HD1 LEU 48 1HD1 LEU 48 -5.086 -11.011 -5.752 398 2HD1 LEU 48 2HD1 LEU 48 -6.752 -10.873 -6.313 399 3HD1 LEU 48 3HD1 LEU 48 -6.164 -12.406 -5.671 400 1HD2 LEU 48 1HD2 LEU 48 -8.136 -12.338 -4.047 401 2HD2 LEU 48 2HD2 LEU 48 -8.614 -10.774 -4.706 402 3HD2 LEU 48 3HD2 LEU 48 -8.309 -10.948 -2.978 403 H ILE 49 H ILE 49 -6.164 -13.643 -1.285 404 HA ILE 49 HA ILE 49 -4.889 -13.760 1.256 405 HB ILE 49 HB ILE 49 -5.829 -15.892 -0.654 406 1HG1 ILE 49 2HG1 ILE 49 -6.850 -14.891 2.013 407 2HG1 ILE 49 1HG1 ILE 49 -7.578 -14.598 0.439 408 1HG2 ILE 49 1HG2 ILE 49 -4.652 -16.300 2.093 409 2HG2 ILE 49 2HG2 ILE 49 -3.945 -16.816 0.563 410 3HG2 ILE 49 3HG2 ILE 49 -5.451 -17.540 1.125 411 1HD1 ILE 49 1HD1 ILE 49 -8.081 -16.961 0.213 412 2HD1 ILE 49 2HD1 ILE 49 -8.774 -16.309 1.698 413 3HD1 ILE 49 3HD1 ILE 49 -7.309 -17.284 1.763 414 H ASP 50 H ASP 50 -3.865 -14.532 -2.040 415 HA ASP 50 HA ASP 50 -1.223 -15.292 -0.953 416 1HB ASP 50 2HB ASP 50 -2.541 -17.124 -2.057 417 2HB ASP 50 1HB ASP 50 -2.422 -16.229 -3.568 418 H GLU 51 H GLU 51 -2.632 -12.754 -2.287 419 HA GLU 51 HA GLU 51 -0.621 -12.181 -4.317 420 1HB GLU 51 2HB GLU 51 -3.093 -11.614 -4.562 421 2HB GLU 51 1HB GLU 51 -2.825 -10.349 -3.374 422 1HG GLU 51 2HG GLU 51 -2.756 -9.408 -5.569 423 2HG GLU 51 1HG GLU 51 -1.142 -9.349 -4.865 424 H ALA 52 H ALA 52 -0.516 -12.213 -1.155 425 HA ALA 52 HA ALA 52 0.597 -9.604 -0.612 426 1HB ALA 52 1HB ALA 52 -0.626 -10.799 1.134 427 2HB ALA 52 2HB ALA 52 1.044 -10.498 1.619 428 3HB ALA 52 3HB ALA 52 0.560 -12.106 1.075 429 H THR 53 H THR 53 2.681 -9.057 -0.790 430 HA THR 53 HA THR 53 4.524 -11.165 -1.658 431 HB THR 53 HB THR 53 4.381 -9.390 -3.251 432 HG1 THR 53 1HG THR 53 6.794 -9.084 -1.767 433 1HG2 THR 53 1HG2 THR 53 5.095 -7.488 -1.023 434 2HG2 THR 53 2HG2 THR 53 3.526 -7.610 -1.816 435 3HG2 THR 53 3HG2 THR 53 4.933 -7.062 -2.723 436 H GLU 54 H GLU 54 6.680 -11.173 -0.882 437 HA GLU 54 HA GLU 54 6.864 -10.838 1.942 438 1HB GLU 54 2HB GLU 54 8.991 -11.438 -0.119 439 2HB GLU 54 1HB GLU 54 9.240 -11.512 1.618 440 1HG GLU 54 2HG GLU 54 7.695 -13.320 1.831 441 2HG GLU 54 1HG GLU 54 7.215 -13.165 0.140 442 H TRP 55 H TRP 55 7.650 -9.184 3.108 443 HA TRP 55 HA TRP 55 8.998 -7.007 1.653 444 1HB TRP 55 2HB TRP 55 6.701 -6.489 2.612 445 2HB TRP 55 1HB TRP 55 7.402 -6.716 4.210 446 HD1 TRP 55 HD TRP 55 8.059 -4.505 5.303 447 HE1 TRP 55 1HE TRP 55 8.850 -2.193 4.488 448 HE3 TRP 55 3HE TRP 55 8.143 -5.403 0.268 449 HZ2 TRP 55 2HZ TRP 55 9.435 -0.923 2.035 450 HZ3 TRP 55 3HZ TRP 55 8.827 -3.586 -1.245 451 HH2 TRP 55 HH TRP 55 9.457 -1.394 -0.377 452 H THR 56 H THR 56 10.441 -5.704 3.225 453 HA THR 56 HA THR 56 12.437 -7.353 4.270 454 HB THR 56 HB THR 56 11.911 -4.490 5.058 455 HG1 THR 56 1HG THR 56 12.682 -3.897 3.142 456 1HG2 THR 56 1HG2 THR 56 14.458 -6.107 4.895 457 2HG2 THR 56 2HG2 THR 56 13.643 -5.610 6.379 458 3HG2 THR 56 3HG2 THR 56 14.354 -4.396 5.313 459 HA PRO 57 HA PRO 57 10.282 -8.187 8.113 460 1HB PRO 57 2HB PRO 57 11.421 -10.547 8.608 461 2HB PRO 57 1HB PRO 57 10.281 -10.350 7.272 462 1HG PRO 57 2HG PRO 57 13.241 -10.587 7.218 463 2HG PRO 57 1HG PRO 57 12.049 -11.145 6.034 464 1HD PRO 57 2HD PRO 57 13.585 -8.764 5.925 465 2HD PRO 57 1HD PRO 57 12.244 -9.218 4.857 466 H ASN 58 H ASN 58 11.524 -9.577 10.151 467 HA ASN 58 HA ASN 58 13.143 -7.559 11.357 468 1HB ASN 58 2HB ASN 58 11.561 -9.019 12.629 469 2HB ASN 58 1HB ASN 58 12.611 -10.392 12.297 470 1HD2 ASN 58 1HD2 ASN 58 12.949 -10.757 14.474 471 2HD2 ASN 58 2HD2 ASN 58 13.955 -9.737 15.439 472 H ASN 59 H ASN 59 15.322 -7.912 12.175 473 HA ASN 59 HA ASN 59 17.010 -9.007 10.134 474 1HB ASN 59 2HB ASN 59 17.642 -7.731 12.801 475 2HB ASN 59 1HB ASN 59 18.880 -8.305 11.691 476 1HD2 ASN 59 1HD2 ASN 59 16.611 -5.838 12.413 477 2HD2 ASN 59 2HD2 ASN 59 17.025 -4.771 11.116 478 H LEU 60 H LEU 60 18.878 -10.434 10.734 479 HA LEU 60 HA LEU 60 17.783 -12.717 12.214 480 1HB LEU 60 2HB LEU 60 19.993 -12.580 10.157 481 2HB LEU 60 1HB LEU 60 19.473 -14.045 10.969 482 HG LEU 60 HG LEU 60 17.758 -12.368 9.132 483 1HD1 LEU 60 1HD1 LEU 60 19.521 -13.528 7.927 484 2HD1 LEU 60 2HD1 LEU 60 17.951 -14.257 7.591 485 3HD1 LEU 60 3HD1 LEU 60 19.070 -15.045 8.701 486 1HD2 LEU 60 1HD2 LEU 60 17.207 -15.034 10.431 487 2HD2 LEU 60 2HD2 LEU 60 16.156 -14.193 9.294 488 3HD2 LEU 60 3HD2 LEU 60 16.471 -13.497 10.883 489 H GLU 61 H GLU 61 19.823 -14.169 12.936 490 HA GLU 61 HA GLU 61 20.802 -12.902 15.235 491 1HB GLU 61 2HB GLU 61 20.470 -15.310 15.111 492 2HB GLU 61 1HB GLU 61 21.711 -15.444 13.875 493 1HG GLU 61 2HG GLU 61 22.569 -16.170 16.006 494 2HG GLU 61 1HG GLU 61 23.395 -14.702 15.490 Start of MODEL 2 1 1H MET 1 1HT MET 1 -6.331 18.466 -1.122 2 2H MET 1 2HT MET 1 -6.648 19.740 -0.037 3 3H MET 1 3HT MET 1 -7.665 19.483 -1.363 4 HA MET 1 HA MET 1 -8.642 18.690 0.716 5 1HB MET 1 2HB MET 1 -7.897 16.553 -1.294 6 2HB MET 1 1HB MET 1 -9.168 16.389 -0.092 7 1HG MET 1 2HG MET 1 -10.411 18.192 -1.113 8 2HG MET 1 1HG MET 1 -9.110 18.465 -2.269 9 1HE MET 1 1HE MET 1 -11.658 14.605 -2.189 10 2HE MET 1 2HE MET 1 -11.951 15.967 -1.103 11 3HE MET 1 3HE MET 1 -10.473 15.014 -0.948 12 H SER 2 H SER 2 -7.911 18.323 2.706 13 HA SER 2 HA SER 2 -5.431 16.762 2.993 14 1HB SER 2 2HB SER 2 -6.639 18.784 4.888 15 2HB SER 2 1HB SER 2 -5.059 18.010 5.046 16 HG SER 2 HG SER 2 -5.652 20.232 3.747 17 H LEU 3 H LEU 3 -5.852 14.746 3.484 18 HA LEU 3 HA LEU 3 -6.359 12.935 4.715 19 1HB LEU 3 2HB LEU 3 -6.990 15.046 6.746 20 2HB LEU 3 1HB LEU 3 -7.273 13.353 7.089 21 HG LEU 3 HG LEU 3 -5.176 13.931 8.047 22 1HD1 LEU 3 1HD1 LEU 3 -3.629 12.444 6.872 23 2HD1 LEU 3 2HD1 LEU 3 -4.701 12.447 5.472 24 3HD1 LEU 3 3HD1 LEU 3 -5.246 11.748 6.997 25 1HD2 LEU 3 1HD2 LEU 3 -4.373 15.006 5.347 26 2HD2 LEU 3 2HD2 LEU 3 -3.321 14.879 6.759 27 3HD2 LEU 3 3HD2 LEU 3 -4.714 15.962 6.789 28 H ASP 4 H ASP 4 -7.888 11.788 3.812 29 HA ASP 4 HA ASP 4 -10.647 12.299 4.683 30 1HB ASP 4 2HB ASP 4 -10.428 13.088 2.333 31 2HB ASP 4 1HB ASP 4 -9.926 11.466 1.865 32 HA PRO 5 HA PRO 5 -9.402 8.044 5.801 33 1HB PRO 5 2HB PRO 5 -11.507 8.433 7.823 34 2HB PRO 5 1HB PRO 5 -9.816 7.972 8.038 35 1HG PRO 5 2HG PRO 5 -10.717 10.394 8.752 36 2HG PRO 5 1HG PRO 5 -9.086 10.158 8.097 37 1HD PRO 5 2HD PRO 5 -11.545 11.186 6.733 38 2HD PRO 5 1HD PRO 5 -9.867 11.754 6.606 39 H GLN 6 H GLN 6 -12.236 9.473 4.642 40 HA GLN 6 HA GLN 6 -13.976 7.206 4.850 41 1HB GLN 6 2HB GLN 6 -14.677 9.650 4.618 42 2HB GLN 6 1HB GLN 6 -14.250 9.512 2.918 43 1HG GLN 6 2HG GLN 6 -16.578 9.199 3.084 44 2HG GLN 6 1HG GLN 6 -15.868 7.618 2.759 45 1HE2 GLN 6 1HE2 GLN 6 -18.421 8.320 3.969 46 2HE2 GLN 6 2HE2 GLN 6 -18.435 7.583 5.535 47 H LEU 7 H LEU 7 -12.078 8.696 2.239 48 HA LEU 7 HA LEU 7 -12.586 6.640 0.337 49 1HB LEU 7 2HB LEU 7 -10.340 8.648 0.543 50 2HB LEU 7 1HB LEU 7 -10.590 7.598 -0.835 51 HG LEU 7 HG LEU 7 -12.561 9.676 0.116 52 1HD1 LEU 7 1HD1 LEU 7 -11.867 10.957 -1.837 53 2HD1 LEU 7 2HD1 LEU 7 -10.646 9.741 -2.216 54 3HD1 LEU 7 3HD1 LEU 7 -10.512 10.698 -0.737 55 1HD2 LEU 7 1HD2 LEU 7 -12.477 7.967 -2.362 56 2HD2 LEU 7 2HD2 LEU 7 -13.626 9.267 -2.053 57 3HD2 LEU 7 3HD2 LEU 7 -13.623 7.832 -1.030 58 H LEU 8 H LEU 8 -10.329 7.054 2.933 59 HA LEU 8 HA LEU 8 -8.483 5.052 2.057 60 1HB LEU 8 2HB LEU 8 -8.850 6.331 4.762 61 2HB LEU 8 1HB LEU 8 -7.508 5.297 4.315 62 HG LEU 8 HG LEU 8 -8.144 7.985 3.093 63 1HD1 LEU 8 1HD1 LEU 8 -6.108 8.730 4.211 64 2HD1 LEU 8 2HD1 LEU 8 -5.920 7.136 4.946 65 3HD1 LEU 8 3HD1 LEU 8 -7.298 8.149 5.376 66 1HD2 LEU 8 1HD2 LEU 8 -5.852 6.082 2.600 67 2HD2 LEU 8 2HD2 LEU 8 -5.970 7.726 1.966 68 3HD2 LEU 8 3HD2 LEU 8 -7.133 6.500 1.462 69 H GLU 9 H GLU 9 -11.108 5.167 4.445 70 HA GLU 9 HA GLU 9 -12.244 3.547 5.562 71 1HB GLU 9 2HB GLU 9 -11.206 1.939 3.236 72 2HB GLU 9 1HB GLU 9 -12.131 1.181 4.521 73 1HG GLU 9 2HG GLU 9 -13.203 3.569 3.087 74 2HG GLU 9 1HG GLU 9 -13.332 1.960 2.379 75 H VAL 10 H VAL 10 -11.785 1.074 6.415 76 HA VAL 10 HA VAL 10 -9.053 1.096 7.507 77 HB VAL 10 HB VAL 10 -11.450 -0.451 8.512 78 1HG1 VAL 10 1HG1 VAL 10 -8.706 -0.054 9.701 79 2HG1 VAL 10 2HG1 VAL 10 -9.336 -1.548 9.017 80 3HG1 VAL 10 3HG1 VAL 10 -10.048 -0.884 10.484 81 1HG2 VAL 10 1HG2 VAL 10 -11.450 1.135 10.395 82 2HG2 VAL 10 2HG2 VAL 10 -11.766 1.936 8.856 83 3HG2 VAL 10 3HG2 VAL 10 -10.172 2.055 9.601 84 H LEU 11 H LEU 11 -7.937 0.118 5.906 85 HA LEU 11 HA LEU 11 -8.959 -2.134 4.469 86 1HB LEU 11 2HB LEU 11 -6.195 -0.924 4.519 87 2HB LEU 11 1HB LEU 11 -6.744 -2.137 3.377 88 HG LEU 11 HG LEU 11 -7.864 0.654 3.634 89 1HD1 LEU 11 1HD1 LEU 11 -6.053 -0.571 1.565 90 2HD1 LEU 11 2HD1 LEU 11 -5.627 0.683 2.729 91 3HD1 LEU 11 3HD1 LEU 11 -6.798 1.024 1.454 92 1HD2 LEU 11 1HD2 LEU 11 -9.534 -0.979 2.896 93 2HD2 LEU 11 2HD2 LEU 11 -8.447 -1.509 1.612 94 3HD2 LEU 11 3HD2 LEU 11 -9.094 0.133 1.600 95 H ALA 12 H ALA 12 -8.979 -4.131 5.195 96 HA ALA 12 HA ALA 12 -6.907 -4.948 7.121 97 1HB ALA 12 1HB ALA 12 -8.494 -6.584 7.972 98 2HB ALA 12 2HB ALA 12 -9.684 -6.079 6.774 99 3HB ALA 12 3HB ALA 12 -9.183 -4.963 8.044 100 H CYS 13 H CYS 13 -5.964 -6.977 6.897 101 HA CYS 13 HA CYS 13 -5.389 -7.650 4.192 102 1HB CYS 13 2HB CYS 13 -4.620 -9.224 6.646 103 2HB CYS 13 1HB CYS 13 -3.766 -9.129 5.108 104 HG CYS 13 HG CYS 13 -4.122 -6.465 7.229 105 HA PRO 14 HA PRO 14 -8.187 -11.088 3.642 106 1HB PRO 14 2HB PRO 14 -6.321 -12.334 1.799 107 2HB PRO 14 1HB PRO 14 -7.854 -11.533 1.449 108 1HG PRO 14 2HG PRO 14 -5.430 -10.517 0.723 109 2HG PRO 14 1HG PRO 14 -6.856 -9.517 1.048 110 1HD PRO 14 2HD PRO 14 -4.498 -10.091 2.802 111 2HD PRO 14 1HD PRO 14 -5.388 -8.570 2.564 112 H LYS 15 H LYS 15 -5.154 -11.308 5.023 113 HA LYS 15 HA LYS 15 -5.087 -14.191 5.266 114 1HB LYS 15 2HB LYS 15 -3.328 -12.041 6.454 115 2HB LYS 15 1HB LYS 15 -3.061 -13.766 6.662 116 1HG LYS 15 2HG LYS 15 -3.040 -12.294 4.033 117 2HG LYS 15 1HG LYS 15 -1.619 -12.821 4.936 118 1HD LYS 15 2HD LYS 15 -3.751 -14.618 3.779 119 2HD LYS 15 1HD LYS 15 -2.129 -14.380 3.130 120 1HE LYS 15 2HE LYS 15 -1.156 -15.322 5.147 121 2HE LYS 15 1HE LYS 15 -2.765 -15.498 5.852 122 1HZ LYS 15 1HZ LYS 15 -3.293 -16.978 3.932 123 2HZ LYS 15 2HZ LYS 15 -2.147 -17.595 5.009 124 3HZ LYS 15 3HZ LYS 15 -1.643 -16.945 3.519 125 H ASP 16 H ASP 16 -4.705 -11.737 7.808 126 HA ASP 16 HA ASP 16 -6.334 -13.431 9.585 127 1HB ASP 16 2HB ASP 16 -5.137 -12.413 11.422 128 2HB ASP 16 1HB ASP 16 -3.956 -12.954 10.232 129 H LYS 17 H LYS 17 -6.687 -10.893 7.654 130 HA LYS 17 HA LYS 17 -7.974 -9.058 7.464 131 1HB LYS 17 2HB LYS 17 -9.672 -10.869 8.257 132 2HB LYS 17 1HB LYS 17 -9.657 -9.978 9.773 133 1HG LYS 17 2HG LYS 17 -10.403 -7.975 8.656 134 2HG LYS 17 1HG LYS 17 -10.298 -8.772 7.089 135 1HD LYS 17 2HD LYS 17 -12.038 -10.353 7.793 136 2HD LYS 17 1HD LYS 17 -12.154 -9.519 9.345 137 1HE LYS 17 2HE LYS 17 -13.932 -8.751 7.909 138 2HE LYS 17 1HE LYS 17 -12.772 -7.447 8.139 139 1HZ LYS 17 1HZ LYS 17 -13.453 -7.588 5.836 140 2HZ LYS 17 2HZ LYS 17 -12.965 -9.207 5.749 141 3HZ LYS 17 3HZ LYS 17 -11.811 -7.984 5.967 142 H GLY 18 H GLY 18 -5.679 -9.014 9.195 143 1HA GLY 18 2HA GLY 18 -6.358 -7.159 11.317 144 2HA GLY 18 1HA GLY 18 -4.745 -7.699 10.867 145 HA PRO 19 HA PRO 19 -6.078 -3.356 9.175 146 1HB PRO 19 2HB PRO 19 -4.262 -2.364 11.297 147 2HB PRO 19 1HB PRO 19 -5.829 -1.739 10.774 148 1HG PRO 19 2HG PRO 19 -5.585 -3.043 13.087 149 2HG PRO 19 1HG PRO 19 -7.013 -3.265 12.057 150 1HD PRO 19 2HD PRO 19 -4.628 -5.047 12.401 151 2HD PRO 19 1HD PRO 19 -6.345 -5.480 12.267 152 H LEU 20 H LEU 20 -4.929 -2.769 7.485 153 HA LEU 20 HA LEU 20 -2.182 -3.554 7.177 154 1HB LEU 20 2HB LEU 20 -4.161 -2.103 5.453 155 2HB LEU 20 1HB LEU 20 -2.472 -2.208 4.995 156 HG LEU 20 HG LEU 20 -4.101 -4.670 5.584 157 1HD1 LEU 20 1HD1 LEU 20 -3.719 -3.323 2.912 158 2HD1 LEU 20 2HD1 LEU 20 -5.234 -3.429 3.805 159 3HD1 LEU 20 3HD1 LEU 20 -4.473 -4.892 3.187 160 1HD2 LEU 20 1HD2 LEU 20 -1.664 -4.886 5.589 161 2HD2 LEU 20 2HD2 LEU 20 -1.595 -4.183 3.975 162 3HD2 LEU 20 3HD2 LEU 20 -2.380 -5.740 4.225 163 H ARG 21 H ARG 21 -0.407 -2.355 7.399 164 HA ARG 21 HA ARG 21 -0.644 0.314 8.498 165 1HB ARG 21 2HB ARG 21 1.005 -1.515 9.245 166 2HB ARG 21 1HB ARG 21 1.908 -1.129 7.786 167 1HG ARG 21 2HG ARG 21 2.193 1.162 8.561 168 2HG ARG 21 1HG ARG 21 1.268 0.788 10.020 169 1HD ARG 21 2HD ARG 21 2.963 -1.011 10.491 170 2HD ARG 21 1HD ARG 21 3.927 -0.345 9.175 171 HE ARG 21 HE ARG 21 3.136 1.424 11.369 172 1HH1 ARG 21 1HH1 ARG 21 5.640 -0.351 9.689 173 2HH1 ARG 21 2HH1 ARG 21 6.948 0.428 10.528 174 1HH2 ARG 21 1HH2 ARG 21 4.823 2.451 12.493 175 2HH2 ARG 21 2HH2 ARG 21 6.475 2.080 12.090 176 H TYR 22 H TYR 22 -0.918 1.964 7.141 177 HA TYR 22 HA TYR 22 -0.187 1.672 4.352 178 1HB TYR 22 2HB TYR 22 -2.381 2.537 4.770 179 2HB TYR 22 1HB TYR 22 -1.754 3.776 5.851 180 HD1 TYR 22 1HD TYR 22 -1.380 2.650 2.304 181 HD2 TYR 22 2HD TYR 22 -1.552 5.919 5.020 182 HE1 TYR 22 1HE TYR 22 -1.263 4.218 0.416 183 HE2 TYR 22 2HE TYR 22 -1.428 7.496 3.140 184 HH TYR 22 HH TYR 22 -0.698 7.576 0.845 185 H LEU 23 H LEU 23 1.727 2.255 3.653 186 HA LEU 23 HA LEU 23 3.210 4.403 4.944 187 1HB LEU 23 2HB LEU 23 3.855 2.539 2.664 188 2HB LEU 23 1HB LEU 23 4.881 3.899 3.067 189 HG LEU 23 HG LEU 23 5.859 1.972 4.044 190 1HD1 LEU 23 1HD1 LEU 23 5.955 3.937 5.437 191 2HD1 LEU 23 2HD1 LEU 23 5.802 2.496 6.438 192 3HD1 LEU 23 3HD1 LEU 23 4.403 3.530 6.165 193 1HD2 LEU 23 1HD2 LEU 23 3.164 1.393 5.261 194 2HD2 LEU 23 2HD2 LEU 23 4.656 0.534 5.648 195 3HD2 LEU 23 3HD2 LEU 23 3.989 0.452 4.017 196 H GLU 24 H GLU 24 3.091 6.447 4.307 197 HA GLU 24 HA GLU 24 1.190 7.125 2.254 198 1HB GLU 24 2HB GLU 24 2.942 8.950 3.910 199 2HB GLU 24 1HB GLU 24 1.506 9.412 3.007 200 1HG GLU 24 2HG GLU 24 0.127 8.043 4.480 201 2HG GLU 24 1HG GLU 24 1.567 7.552 5.371 202 H SER 25 H SER 25 4.587 6.777 2.437 203 HA SER 25 HA SER 25 5.492 8.668 0.611 204 1HB SER 25 2HB SER 25 6.594 5.890 1.071 205 2HB SER 25 1HB SER 25 7.463 7.246 0.365 206 HG SER 25 HG SER 25 6.693 8.261 2.551 207 H GLU 26 H GLU 26 4.899 5.210 -0.103 208 HA GLU 26 HA GLU 26 4.432 5.989 -2.908 209 1HB GLU 26 2HB GLU 26 6.017 3.639 -1.859 210 2HB GLU 26 1HB GLU 26 5.593 3.874 -3.549 211 1HG GLU 26 2HG GLU 26 6.934 5.842 -3.690 212 2HG GLU 26 1HG GLU 26 7.200 5.844 -1.946 213 H GLN 27 H GLN 27 2.618 5.343 -0.630 214 HA GLN 27 HA GLN 27 0.727 4.179 -0.177 215 1HB GLN 27 2HB GLN 27 0.805 3.935 -3.180 216 2HB GLN 27 1HB GLN 27 -0.535 3.323 -2.223 217 1HG GLN 27 2HG GLN 27 -1.220 5.423 -2.977 218 2HG GLN 27 1HG GLN 27 -0.759 5.670 -1.295 219 1HE2 GLN 27 1HE2 GLN 27 -0.360 7.825 -1.513 220 2HE2 GLN 27 2HE2 GLN 27 0.973 8.458 -2.417 221 H LEU 28 H LEU 28 2.162 2.652 0.936 222 HA LEU 28 HA LEU 28 2.076 -0.004 -0.336 223 1HB LEU 28 2HB LEU 28 4.061 1.028 1.689 224 2HB LEU 28 1HB LEU 28 3.995 -0.624 1.101 225 HG LEU 28 HG LEU 28 4.633 1.816 -0.563 226 1HD1 LEU 28 1HD1 LEU 28 6.382 -0.431 0.419 227 2HD1 LEU 28 2HD1 LEU 28 6.412 1.235 0.993 228 3HD1 LEU 28 3HD1 LEU 28 6.881 0.867 -0.666 229 1HD2 LEU 28 1HD2 LEU 28 4.614 -1.113 -1.300 230 2HD2 LEU 28 2HD2 LEU 28 5.179 0.207 -2.325 231 3HD2 LEU 28 3HD2 LEU 28 3.474 0.111 -1.872 232 H LEU 29 H LEU 29 1.173 -1.649 0.795 233 HA LEU 29 HA LEU 29 0.115 -0.986 3.467 234 1HB LEU 29 2HB LEU 29 -0.966 -2.868 1.368 235 2HB LEU 29 1HB LEU 29 -1.628 -2.694 2.983 236 HG LEU 29 HG LEU 29 -1.523 -0.501 0.909 237 1HD1 LEU 29 1HD1 LEU 29 -3.937 -0.817 0.754 238 2HD1 LEU 29 2HD1 LEU 29 -3.839 -2.175 1.873 239 3HD1 LEU 29 3HD1 LEU 29 -3.075 -2.283 0.289 240 1HD2 LEU 29 1HD2 LEU 29 -1.421 0.349 3.192 241 2HD2 LEU 29 2HD2 LEU 29 -2.834 -0.616 3.625 242 3HD2 LEU 29 3HD2 LEU 29 -2.987 0.702 2.461 243 H VAL 30 H VAL 30 1.333 -1.921 4.970 244 HA VAL 30 HA VAL 30 2.397 -4.611 4.411 245 HB VAL 30 HB VAL 30 3.533 -2.531 6.285 246 1HG1 VAL 30 1HG1 VAL 30 4.589 -5.235 5.477 247 2HG1 VAL 30 2HG1 VAL 30 3.964 -4.790 7.064 248 3HG1 VAL 30 3HG1 VAL 30 5.450 -4.054 6.464 249 1HG2 VAL 30 1HG2 VAL 30 3.840 -1.888 3.958 250 2HG2 VAL 30 2HG2 VAL 30 4.524 -3.473 3.598 251 3HG2 VAL 30 3HG2 VAL 30 5.380 -2.370 4.674 252 H ASN 31 H ASN 31 1.740 -6.224 5.658 253 HA ASN 31 HA ASN 31 0.043 -5.729 7.951 254 1HB ASN 31 2HB ASN 31 -0.442 -7.624 6.452 255 2HB ASN 31 1HB ASN 31 1.133 -8.325 6.812 256 1HD2 ASN 31 1HD2 ASN 31 -2.107 -7.868 7.886 257 2HD2 ASN 31 2HD2 ASN 31 -2.003 -8.867 9.299 258 H GLU 32 H GLU 32 0.843 -5.365 9.920 259 HA GLU 32 HA GLU 32 3.685 -5.515 10.327 260 1HB GLU 32 2HB GLU 32 2.147 -3.637 11.098 261 2HB GLU 32 1HB GLU 32 1.600 -4.726 12.365 262 1HG GLU 32 2HG GLU 32 3.997 -4.925 13.083 263 2HG GLU 32 1HG GLU 32 4.360 -3.606 11.971 264 H ARG 33 H ARG 33 1.428 -7.855 10.544 265 HA ARG 33 HA ARG 33 2.475 -9.009 13.034 266 1HB ARG 33 2HB ARG 33 0.035 -9.757 11.406 267 2HB ARG 33 1HB ARG 33 0.543 -10.555 12.890 268 1HG ARG 33 2HG ARG 33 0.191 -8.544 14.159 269 2HG ARG 33 1HG ARG 33 -0.165 -7.635 12.690 270 1HD ARG 33 2HD ARG 33 -2.155 -8.985 12.316 271 2HD ARG 33 1HD ARG 33 -1.780 -9.960 13.737 272 HE ARG 33 HE ARG 33 -1.903 -7.478 14.767 273 1HH1 ARG 33 1HH1 ARG 33 -4.099 -9.257 12.677 274 2HH1 ARG 33 2HH1 ARG 33 -5.515 -8.471 13.316 275 1HH2 ARG 33 1HH2 ARG 33 -3.738 -6.436 15.566 276 2HH2 ARG 33 2HH2 ARG 33 -5.317 -6.840 14.942 277 H LEU 34 H LEU 34 1.843 -9.844 9.639 278 HA LEU 34 HA LEU 34 3.424 -12.295 9.971 279 1HB LEU 34 2HB LEU 34 1.682 -11.424 7.666 280 2HB LEU 34 1HB LEU 34 2.438 -12.994 7.856 281 HG LEU 34 HG LEU 34 0.333 -11.878 9.707 282 1HD1 LEU 34 1HD1 LEU 34 -1.162 -13.512 8.649 283 2HD1 LEU 34 2HD1 LEU 34 0.101 -13.892 7.479 284 3HD1 LEU 34 3HD1 LEU 34 -0.607 -12.279 7.517 285 1HD2 LEU 34 1HD2 LEU 34 1.814 -13.472 10.793 286 2HD2 LEU 34 2HD2 LEU 34 1.554 -14.628 9.483 287 3HD2 LEU 34 3HD2 LEU 34 0.217 -14.179 10.543 288 H ASN 35 H ASN 35 3.821 -9.153 8.936 289 HA ASN 35 HA ASN 35 5.490 -8.029 7.875 290 1HB ASN 35 2HB ASN 35 6.879 -9.782 9.179 291 2HB ASN 35 1HB ASN 35 7.030 -10.614 7.637 292 1HD2 ASN 35 1HD2 ASN 35 8.350 -9.766 6.060 293 2HD2 ASN 35 2HD2 ASN 35 9.460 -8.472 6.364 294 H LEU 36 H LEU 36 3.401 -8.727 6.343 295 HA LEU 36 HA LEU 36 4.581 -9.564 3.773 296 1HB LEU 36 2HB LEU 36 1.724 -9.853 4.725 297 2HB LEU 36 1HB LEU 36 2.291 -10.258 3.116 298 HG LEU 36 HG LEU 36 3.156 -11.615 5.673 299 1HD1 LEU 36 1HD1 LEU 36 1.322 -12.519 3.461 300 2HD1 LEU 36 2HD1 LEU 36 0.871 -12.159 5.128 301 3HD1 LEU 36 3HD1 LEU 36 1.911 -13.537 4.775 302 1HD2 LEU 36 1HD2 LEU 36 4.920 -11.580 3.974 303 2HD2 LEU 36 2HD2 LEU 36 3.800 -12.273 2.800 304 3HD2 LEU 36 3HD2 LEU 36 4.282 -13.206 4.218 305 H ALA 37 H ALA 37 3.880 -8.421 1.895 306 HA ALA 37 HA ALA 37 2.802 -5.753 2.528 307 1HB ALA 37 1HB ALA 37 5.218 -5.644 2.157 308 2HB ALA 37 2HB ALA 37 4.330 -4.789 0.896 309 3HB ALA 37 3HB ALA 37 5.003 -6.386 0.571 310 H TYR 38 H TYR 38 1.357 -4.895 1.184 311 HA TYR 38 HA TYR 38 0.607 -6.416 -1.228 312 1HB TYR 38 2HB TYR 38 -1.162 -4.829 0.654 313 2HB TYR 38 1HB TYR 38 -1.697 -5.511 -0.877 314 HD1 TYR 38 1HD TYR 38 -2.016 -7.910 -1.130 315 HD2 TYR 38 2HD TYR 38 -0.767 -6.255 2.586 316 HE1 TYR 38 1HE TYR 38 -2.580 -10.019 -0.005 317 HE2 TYR 38 2HE TYR 38 -1.330 -8.363 3.720 318 HH TYR 38 HH TYR 38 -1.967 -11.231 2.032 319 H ARG 39 H ARG 39 0.068 -5.196 -3.074 320 HA ARG 39 HA ARG 39 1.290 -2.542 -3.078 321 1HB ARG 39 2HB ARG 39 0.470 -4.260 -5.428 322 2HB ARG 39 1HB ARG 39 1.414 -2.778 -5.498 323 1HG ARG 39 2HG ARG 39 3.194 -3.894 -4.203 324 2HG ARG 39 1HG ARG 39 2.252 -5.386 -4.248 325 1HD ARG 39 2HD ARG 39 2.312 -5.252 -6.742 326 2HD ARG 39 1HD ARG 39 3.414 -3.886 -6.591 327 HE ARG 39 HE ARG 39 4.023 -6.589 -5.569 328 1HH1 ARG 39 1HH1 ARG 39 4.978 -3.635 -7.226 329 2HH1 ARG 39 2HH1 ARG 39 6.631 -4.135 -7.406 330 1HH2 ARG 39 1HH2 ARG 39 6.203 -7.227 -5.806 331 2HH2 ARG 39 2HH2 ARG 39 7.337 -6.154 -6.581 332 H ILE 40 H ILE 40 0.237 -0.722 -3.684 333 HA ILE 40 HA ILE 40 -2.659 -0.946 -4.124 334 HB ILE 40 HB ILE 40 -1.037 1.477 -3.308 335 1HG1 ILE 40 2HG1 ILE 40 -2.952 -0.229 -1.706 336 2HG1 ILE 40 1HG1 ILE 40 -1.199 -0.230 -1.537 337 1HG2 ILE 40 1HG2 ILE 40 -4.026 1.130 -3.543 338 2HG2 ILE 40 2HG2 ILE 40 -3.005 2.071 -4.632 339 3HG2 ILE 40 3HG2 ILE 40 -3.192 2.567 -2.949 340 1HD1 ILE 40 1HD1 ILE 40 -2.279 1.071 0.216 341 2HD1 ILE 40 2HD1 ILE 40 -3.010 2.117 -1.003 342 3HD1 ILE 40 3HD1 ILE 40 -1.256 2.085 -0.799 343 H ASP 41 H ASP 41 -3.223 -0.892 -6.204 344 HA ASP 41 HA ASP 41 -1.416 0.350 -8.132 345 1HB ASP 41 2HB ASP 41 -2.304 -1.927 -8.573 346 2HB ASP 41 1HB ASP 41 -3.931 -1.256 -8.634 347 H ASP 42 H ASP 42 -1.719 2.495 -7.825 348 HA ASP 42 HA ASP 42 -2.544 4.555 -8.276 349 1HB ASP 42 2HB ASP 42 -2.885 3.414 -10.520 350 2HB ASP 42 1HB ASP 42 -4.572 3.210 -10.060 351 H GLY 43 H GLY 43 -3.940 2.702 -6.231 352 1HA GLY 43 2HA GLY 43 -5.352 4.013 -4.615 353 2HA GLY 43 1HA GLY 43 -6.399 4.319 -5.989 354 H ILE 44 H ILE 44 -5.468 1.327 -6.622 355 HA ILE 44 HA ILE 44 -7.630 0.132 -5.022 356 HB ILE 44 HB ILE 44 -6.419 -0.857 -7.610 357 1HG1 ILE 44 2HG1 ILE 44 -9.134 0.347 -7.025 358 2HG1 ILE 44 1HG1 ILE 44 -7.818 1.158 -7.866 359 1HG2 ILE 44 1HG2 ILE 44 -8.724 -1.937 -5.992 360 2HG2 ILE 44 2HG2 ILE 44 -7.149 -2.699 -6.193 361 3HG2 ILE 44 3HG2 ILE 44 -8.224 -2.522 -7.576 362 1HD1 ILE 44 1HD1 ILE 44 -9.304 -1.280 -8.806 363 2HD1 ILE 44 2HD1 ILE 44 -7.933 -0.542 -9.633 364 3HD1 ILE 44 3HD1 ILE 44 -9.438 0.356 -9.449 365 HA PRO 45 HA PRO 45 -4.213 -1.968 -2.959 366 1HB PRO 45 2HB PRO 45 -6.319 -3.008 -1.221 367 2HB PRO 45 1HB PRO 45 -4.960 -1.961 -0.816 368 1HG PRO 45 2HG PRO 45 -7.523 -1.091 -0.819 369 2HG PRO 45 1HG PRO 45 -6.154 -0.035 -1.222 370 1HD PRO 45 2HD PRO 45 -8.083 -1.423 -3.044 371 2HD PRO 45 1HD PRO 45 -7.424 0.227 -3.147 372 H VAL 46 H VAL 46 -3.495 -3.777 -3.935 373 HA VAL 46 HA VAL 46 -5.312 -5.766 -4.943 374 HB VAL 46 HB VAL 46 -2.298 -5.909 -4.746 375 1HG1 VAL 46 1HG1 VAL 46 -2.494 -7.565 -6.545 376 2HG1 VAL 46 2HG1 VAL 46 -4.253 -7.459 -6.444 377 3HG1 VAL 46 3HG1 VAL 46 -3.327 -8.086 -5.078 378 1HG2 VAL 46 1HG2 VAL 46 -2.273 -5.172 -7.077 379 2HG2 VAL 46 2HG2 VAL 46 -2.997 -3.952 -6.030 380 3HG2 VAL 46 3HG2 VAL 46 -4.024 -4.973 -7.038 381 H LEU 47 H LEU 47 -6.394 -6.640 -3.200 382 HA LEU 47 HA LEU 47 -4.820 -7.784 -1.023 383 1HB LEU 47 2HB LEU 47 -7.802 -7.442 -1.339 384 2HB LEU 47 1HB LEU 47 -7.020 -8.129 0.071 385 HG LEU 47 HG LEU 47 -6.697 -5.294 -0.915 386 1HD1 LEU 47 1HD1 LEU 47 -8.149 -6.433 1.472 387 2HD1 LEU 47 2HD1 LEU 47 -8.888 -5.691 0.054 388 3HD1 LEU 47 3HD1 LEU 47 -7.907 -4.716 1.146 389 1HD2 LEU 47 1HD2 LEU 47 -5.582 -6.675 1.526 390 2HD2 LEU 47 2HD2 LEU 47 -5.471 -4.948 1.187 391 3HD2 LEU 47 3HD2 LEU 47 -4.657 -6.107 0.136 392 H LEU 48 H LEU 48 -3.929 -9.475 -2.298 393 HA LEU 48 HA LEU 48 -5.794 -11.718 -2.659 394 1HB LEU 48 2HB LEU 48 -3.507 -10.938 -4.474 395 2HB LEU 48 1HB LEU 48 -4.385 -12.452 -4.584 396 HG LEU 48 HG LEU 48 -5.628 -9.725 -4.949 397 1HD1 LEU 48 1HD1 LEU 48 -4.039 -10.225 -6.725 398 2HD1 LEU 48 2HD1 LEU 48 -5.700 -10.290 -7.318 399 3HD1 LEU 48 3HD1 LEU 48 -4.820 -11.785 -6.995 400 1HD2 LEU 48 1HD2 LEU 48 -7.537 -10.972 -5.804 401 2HD2 LEU 48 2HD2 LEU 48 -7.180 -11.426 -4.135 402 3HD2 LEU 48 3HD2 LEU 48 -6.708 -12.492 -5.458 403 H ILE 49 H ILE 49 -4.868 -13.800 -2.272 404 HA ILE 49 HA ILE 49 -3.085 -13.722 -0.037 405 HB ILE 49 HB ILE 49 -4.236 -16.105 -1.498 406 1HG1 ILE 49 2HG1 ILE 49 -5.160 -14.711 1.027 407 2HG1 ILE 49 1HG1 ILE 49 -5.938 -14.576 -0.545 408 1HG2 ILE 49 1HG2 ILE 49 -3.728 -17.351 0.557 409 2HG2 ILE 49 2HG2 ILE 49 -2.937 -15.921 1.220 410 3HG2 ILE 49 3HG2 ILE 49 -2.267 -16.718 -0.204 411 1HD1 ILE 49 1HD1 ILE 49 -6.433 -16.974 -0.490 412 2HD1 ILE 49 2HD1 ILE 49 -7.134 -16.117 0.881 413 3HD1 ILE 49 3HD1 ILE 49 -5.680 -17.084 1.101 414 H ASP 50 H ASP 50 -2.813 -14.838 -3.392 415 HA ASP 50 HA ASP 50 -0.183 -15.940 -2.904 416 1HB ASP 50 2HB ASP 50 -1.779 -16.976 -4.513 417 2HB ASP 50 1HB ASP 50 -1.609 -15.562 -5.548 418 H GLU 51 H GLU 51 -1.514 -12.954 -4.083 419 HA GLU 51 HA GLU 51 0.952 -12.019 -5.225 420 1HB GLU 51 2HB GLU 51 -1.715 -10.790 -4.663 421 2HB GLU 51 1HB GLU 51 -0.349 -9.746 -5.014 422 1HG GLU 51 2HG GLU 51 -1.768 -10.267 -6.975 423 2HG GLU 51 1HG GLU 51 -0.075 -10.715 -7.181 424 H ALA 52 H ALA 52 -0.285 -12.261 -2.074 425 HA ALA 52 HA ALA 52 0.946 -10.084 -0.799 426 1HB ALA 52 1HB ALA 52 0.757 -11.380 1.249 427 2HB ALA 52 2HB ALA 52 0.453 -12.844 0.316 428 3HB ALA 52 3HB ALA 52 -0.717 -11.525 0.294 429 H THR 53 H THR 53 3.027 -9.581 -0.792 430 HA THR 53 HA THR 53 4.974 -11.742 -1.227 431 HB THR 53 HB THR 53 5.433 -8.784 -1.627 432 HG1 THR 53 1HG THR 53 3.770 -10.217 -2.998 433 1HG2 THR 53 1HG2 THR 53 6.860 -11.214 -2.717 434 2HG2 THR 53 2HG2 THR 53 7.452 -10.175 -1.419 435 3HG2 THR 53 3HG2 THR 53 7.272 -9.531 -3.054 436 H GLU 54 H GLU 54 6.918 -11.744 -0.031 437 HA GLU 54 HA GLU 54 6.600 -10.899 2.700 438 1HB GLU 54 2HB GLU 54 8.943 -12.232 1.321 439 2HB GLU 54 1HB GLU 54 8.744 -12.048 3.058 440 1HG GLU 54 2HG GLU 54 6.815 -13.493 3.036 441 2HG GLU 54 1HG GLU 54 6.878 -13.595 1.278 442 H TRP 55 H TRP 55 7.325 -9.066 3.546 443 HA TRP 55 HA TRP 55 8.747 -7.205 1.846 444 1HB TRP 55 2HB TRP 55 6.758 -6.685 3.418 445 2HB TRP 55 1HB TRP 55 7.952 -6.715 4.707 446 HD1 TRP 55 HD TRP 55 8.168 -4.228 5.344 447 HE1 TRP 55 1HE TRP 55 8.762 -2.067 4.084 448 HE3 TRP 55 3HE TRP 55 8.176 -6.045 0.570 449 HZ2 TRP 55 2HZ TRP 55 9.182 -1.238 1.418 450 HZ3 TRP 55 3HZ TRP 55 8.685 -4.504 -1.275 451 HH2 TRP 55 HH TRP 55 9.177 -2.151 -0.861 452 H THR 56 H THR 56 10.220 -5.769 3.601 453 HA THR 56 HA THR 56 12.728 -6.643 3.530 454 HB THR 56 HB THR 56 11.639 -5.230 5.954 455 HG1 THR 56 1HG THR 56 12.601 -3.764 3.781 456 1HG2 THR 56 1HG2 THR 56 13.817 -4.083 5.932 457 2HG2 THR 56 2HG2 THR 56 14.318 -5.085 4.567 458 3HG2 THR 56 3HG2 THR 56 13.993 -5.827 6.136 459 HA PRO 57 HA PRO 57 13.123 -10.411 5.906 460 1HB PRO 57 2HB PRO 57 15.944 -9.467 6.059 461 2HB PRO 57 1HB PRO 57 15.307 -11.036 5.553 462 1HG PRO 57 2HG PRO 57 16.204 -9.301 3.752 463 2HG PRO 57 1HG PRO 57 14.756 -10.278 3.433 464 1HD PRO 57 2HD PRO 57 14.971 -7.396 4.193 465 2HD PRO 57 1HD PRO 57 13.841 -8.189 3.077 466 H ASN 58 H ASN 58 13.578 -11.050 8.050 467 HA ASN 58 HA ASN 58 13.189 -8.867 9.909 468 1HB ASN 58 2HB ASN 58 11.859 -11.032 9.937 469 2HB ASN 58 1HB ASN 58 13.302 -11.807 10.580 470 1HD2 ASN 58 1HD2 ASN 58 13.855 -11.495 12.702 471 2HD2 ASN 58 2HD2 ASN 58 12.859 -10.639 13.829 472 H ASN 59 H ASN 59 15.458 -8.236 9.241 473 HA ASN 59 HA ASN 59 17.584 -7.787 9.733 474 1HB ASN 59 2HB ASN 59 18.176 -7.628 12.151 475 2HB ASN 59 1HB ASN 59 16.708 -6.790 11.684 476 1HD2 ASN 59 1HD2 ASN 59 14.761 -7.450 12.509 477 2HD2 ASN 59 2HD2 ASN 59 14.626 -8.595 13.796 478 H LEU 60 H LEU 60 19.660 -8.392 10.730 479 HA LEU 60 HA LEU 60 21.454 -9.748 10.557 480 1HB LEU 60 2HB LEU 60 20.380 -10.396 12.760 481 2HB LEU 60 1HB LEU 60 19.711 -11.787 11.927 482 HG LEU 60 HG LEU 60 21.998 -12.527 11.380 483 1HD1 LEU 60 1HD1 LEU 60 23.111 -10.372 11.414 484 2HD1 LEU 60 2HD1 LEU 60 23.898 -11.501 12.517 485 3HD1 LEU 60 3HD1 LEU 60 22.836 -10.245 13.153 486 1HD2 LEU 60 1HD2 LEU 60 21.463 -12.086 14.312 487 2HD2 LEU 60 2HD2 LEU 60 22.597 -13.258 13.642 488 3HD2 LEU 60 3HD2 LEU 60 20.867 -13.425 13.334 489 H GLU 61 H GLU 61 20.256 -9.655 8.214 490 HA GLU 61 HA GLU 61 19.657 -12.385 7.377 491 1HB GLU 61 2HB GLU 61 18.687 -11.369 5.345 492 2HB GLU 61 1HB GLU 61 17.922 -10.821 6.825 493 1HG GLU 61 2HG GLU 61 19.981 -9.248 5.283 494 2HG GLU 61 1HG GLU 61 18.240 -9.044 5.128 Start of MODEL 3 1 1H MET 1 1HT MET 1 -1.921 16.731 4.114 2 2H MET 1 2HT MET 1 -3.593 16.804 4.393 3 3H MET 1 3HT MET 1 -2.713 15.439 4.881 4 HA MET 1 HA MET 1 -1.493 16.717 6.480 5 1HB MET 1 2HB MET 1 -1.968 19.035 6.904 6 2HB MET 1 1HB MET 1 -1.598 18.857 5.193 7 1HG MET 1 2HG MET 1 -3.945 18.963 4.636 8 2HG MET 1 1HG MET 1 -4.377 19.030 6.346 9 1HE MET 1 1HE MET 1 -5.850 21.158 5.949 10 2HE MET 1 2HE MET 1 -5.463 21.138 4.228 11 3HE MET 1 3HE MET 1 -5.276 22.626 5.158 12 H SER 2 H SER 2 -4.659 15.953 5.625 13 HA SER 2 HA SER 2 -5.557 16.220 8.412 14 1HB SER 2 2HB SER 2 -6.856 17.587 6.795 15 2HB SER 2 1HB SER 2 -7.263 16.117 5.909 16 HG SER 2 HG SER 2 -8.884 15.999 7.222 17 H LEU 3 H LEU 3 -6.944 14.514 9.210 18 HA LEU 3 HA LEU 3 -6.103 11.900 8.222 19 1HB LEU 3 2HB LEU 3 -6.039 12.720 10.687 20 2HB LEU 3 1HB LEU 3 -7.764 12.427 10.681 21 HG LEU 3 HG LEU 3 -6.380 10.594 11.677 22 1HD1 LEU 3 1HD1 LEU 3 -7.574 8.767 10.585 23 2HD1 LEU 3 2HD1 LEU 3 -8.019 9.848 9.264 24 3HD1 LEU 3 3HD1 LEU 3 -8.630 10.145 10.891 25 1HD2 LEU 3 1HD2 LEU 3 -5.193 9.089 10.154 26 2HD2 LEU 3 2HD2 LEU 3 -4.483 10.704 10.168 27 3HD2 LEU 3 3HD2 LEU 3 -5.504 10.200 8.820 28 H ASP 4 H ASP 4 -7.413 10.700 6.984 29 HA ASP 4 HA ASP 4 -10.301 11.283 7.034 30 1HB ASP 4 2HB ASP 4 -9.060 11.980 4.916 31 2HB ASP 4 1HB ASP 4 -8.836 10.260 4.604 32 HA PRO 5 HA PRO 5 -9.718 6.990 8.497 33 1HB PRO 5 2HB PRO 5 -12.097 6.885 9.831 34 2HB PRO 5 1HB PRO 5 -10.619 7.562 10.519 35 1HG PRO 5 2HG PRO 5 -12.945 8.968 9.272 36 2HG PRO 5 1HG PRO 5 -12.018 9.399 10.721 37 1HD PRO 5 2HD PRO 5 -11.621 10.609 8.339 38 2HD PRO 5 1HD PRO 5 -10.306 10.344 9.501 39 H GLN 6 H GLN 6 -12.007 8.416 6.407 40 HA GLN 6 HA GLN 6 -13.560 6.005 6.007 41 1HB GLN 6 2HB GLN 6 -14.622 8.228 5.830 42 2HB GLN 6 1HB GLN 6 -13.593 8.598 4.454 43 1HG GLN 6 2HG GLN 6 -14.599 6.747 3.212 44 2HG GLN 6 1HG GLN 6 -15.641 6.401 4.591 45 1HE2 GLN 6 1HE2 GLN 6 -17.510 6.764 3.427 46 2HE2 GLN 6 2HE2 GLN 6 -18.007 8.355 2.960 47 H LEU 7 H LEU 7 -11.181 7.931 4.205 48 HA LEU 7 HA LEU 7 -11.089 6.224 1.945 49 1HB LEU 7 2HB LEU 7 -9.039 8.151 3.034 50 2HB LEU 7 1HB LEU 7 -8.881 7.323 1.499 51 HG LEU 7 HG LEU 7 -11.029 9.314 2.230 52 1HD1 LEU 7 1HD1 LEU 7 -9.950 10.706 0.528 53 2HD1 LEU 7 2HD1 LEU 7 -8.693 9.485 0.332 54 3HD1 LEU 7 3HD1 LEU 7 -8.861 10.341 1.865 55 1HD2 LEU 7 1HD2 LEU 7 -10.544 7.814 -0.343 56 2HD2 LEU 7 2HD2 LEU 7 -11.692 9.137 -0.131 57 3HD2 LEU 7 3HD2 LEU 7 -11.920 7.620 0.741 58 H LEU 8 H LEU 8 -9.855 5.888 5.091 59 HA LEU 8 HA LEU 8 -7.716 4.088 4.447 60 1HB LEU 8 2HB LEU 8 -9.119 4.628 7.068 61 2HB LEU 8 1HB LEU 8 -7.665 3.666 6.884 62 HG LEU 8 HG LEU 8 -7.895 6.618 6.280 63 1HD1 LEU 8 1HD1 LEU 8 -6.533 5.164 8.540 64 2HD1 LEU 8 2HD1 LEU 8 -8.011 6.119 8.669 65 3HD1 LEU 8 3HD1 LEU 8 -6.486 6.902 8.251 66 1HD2 LEU 8 1HD2 LEU 8 -5.457 6.515 6.036 67 2HD2 LEU 8 2HD2 LEU 8 -6.275 5.510 4.837 68 3HD2 LEU 8 3HD2 LEU 8 -5.516 4.767 6.246 69 H GLU 9 H GLU 9 -11.065 3.795 5.516 70 HA GLU 9 HA GLU 9 -12.499 2.057 5.718 71 1HB GLU 9 2HB GLU 9 -10.784 1.130 3.429 72 2HB GLU 9 1HB GLU 9 -12.153 0.185 3.998 73 1HG GLU 9 2HG GLU 9 -13.550 2.283 3.635 74 2HG GLU 9 1HG GLU 9 -12.159 2.915 2.754 75 H VAL 10 H VAL 10 -12.244 -0.694 5.475 76 HA VAL 10 HA VAL 10 -10.546 -1.329 7.771 77 HB VAL 10 HB VAL 10 -12.578 -3.062 6.348 78 1HG1 VAL 10 1HG1 VAL 10 -11.136 -3.435 8.970 79 2HG1 VAL 10 2HG1 VAL 10 -10.893 -4.375 7.497 80 3HG1 VAL 10 3HG1 VAL 10 -12.428 -4.469 8.360 81 1HG2 VAL 10 1HG2 VAL 10 -13.643 -1.138 7.389 82 2HG2 VAL 10 2HG2 VAL 10 -12.825 -1.493 8.913 83 3HG2 VAL 10 3HG2 VAL 10 -14.026 -2.617 8.272 84 H LEU 11 H LEU 11 -8.503 -1.784 7.225 85 HA LEU 11 HA LEU 11 -8.036 -3.367 4.784 86 1HB LEU 11 2HB LEU 11 -6.179 -1.501 6.259 87 2HB LEU 11 1HB LEU 11 -5.727 -2.465 4.867 88 HG LEU 11 HG LEU 11 -7.812 -0.278 4.869 89 1HD1 LEU 11 1HD1 LEU 11 -5.013 -0.330 3.751 90 2HD1 LEU 11 2HD1 LEU 11 -5.565 0.610 5.139 91 3HD1 LEU 11 3HD1 LEU 11 -6.190 0.964 3.528 92 1HD2 LEU 11 1HD2 LEU 11 -7.800 -0.571 2.445 93 2HD2 LEU 11 2HD2 LEU 11 -8.298 -2.052 3.259 94 3HD2 LEU 11 3HD2 LEU 11 -6.666 -1.912 2.606 95 H ALA 12 H ALA 12 -7.918 -5.437 5.326 96 HA ALA 12 HA ALA 12 -6.155 -6.171 7.572 97 1HB ALA 12 1HB ALA 12 -8.495 -6.535 8.190 98 2HB ALA 12 2HB ALA 12 -7.621 -8.059 8.048 99 3HB ALA 12 3HB ALA 12 -8.712 -7.551 6.761 100 H CYS 13 H CYS 13 -4.797 -7.872 7.253 101 HA CYS 13 HA CYS 13 -4.194 -8.659 4.577 102 1HB CYS 13 2HB CYS 13 -2.430 -8.491 6.245 103 2HB CYS 13 1HB CYS 13 -3.216 -9.706 7.246 104 HG CYS 13 HG CYS 13 -2.023 -10.389 4.112 105 HA PRO 14 HA PRO 14 -7.351 -11.778 4.194 106 1HB PRO 14 2HB PRO 14 -5.509 -12.787 2.086 107 2HB PRO 14 1HB PRO 14 -7.228 -12.392 1.989 108 1HG PRO 14 2HG PRO 14 -5.411 -10.760 0.939 109 2HG PRO 14 1HG PRO 14 -6.827 -10.113 1.787 110 1HD PRO 14 2HD PRO 14 -3.999 -10.355 2.732 111 2HD PRO 14 1HD PRO 14 -5.168 -9.044 2.995 112 H LYS 15 H LYS 15 -4.086 -12.384 5.032 113 HA LYS 15 HA LYS 15 -4.343 -15.248 5.216 114 1HB LYS 15 2HB LYS 15 -2.246 -13.243 5.794 115 2HB LYS 15 1HB LYS 15 -2.200 -14.703 6.768 116 1HG LYS 15 2HG LYS 15 -0.748 -14.876 4.827 117 2HG LYS 15 1HG LYS 15 -2.047 -16.065 4.756 118 1HD LYS 15 2HD LYS 15 -3.228 -14.781 3.130 119 2HD LYS 15 1HD LYS 15 -2.134 -13.413 3.328 120 1HE LYS 15 2HE LYS 15 -1.650 -14.665 1.281 121 2HE LYS 15 1HE LYS 15 -0.297 -14.728 2.411 122 1HZ LYS 15 1HZ LYS 15 -0.979 -16.939 3.073 123 2HZ LYS 15 2HZ LYS 15 -0.759 -16.887 1.394 124 3HZ LYS 15 3HZ LYS 15 -2.325 -16.874 2.046 125 H ASP 16 H ASP 16 -3.765 -12.764 7.741 126 HA ASP 16 HA ASP 16 -5.073 -14.598 9.644 127 1HB ASP 16 2HB ASP 16 -2.623 -14.358 9.947 128 2HB ASP 16 1HB ASP 16 -2.844 -12.633 10.206 129 H LYS 17 H LYS 17 -5.685 -11.870 8.047 130 HA LYS 17 HA LYS 17 -7.229 -10.231 8.263 131 1HB LYS 17 2HB LYS 17 -7.902 -11.664 10.828 132 2HB LYS 17 1HB LYS 17 -8.801 -10.282 10.216 133 1HG LYS 17 2HG LYS 17 -9.373 -11.513 8.208 134 2HG LYS 17 1HG LYS 17 -8.431 -12.896 8.773 135 1HD LYS 17 2HD LYS 17 -9.914 -13.189 10.653 136 2HD LYS 17 1HD LYS 17 -10.798 -11.722 10.227 137 1HE LYS 17 2HE LYS 17 -10.575 -14.123 8.425 138 2HE LYS 17 1HE LYS 17 -11.908 -13.866 9.550 139 1HZ LYS 17 1HZ LYS 17 -11.201 -11.784 7.580 140 2HZ LYS 17 2HZ LYS 17 -12.687 -12.064 8.350 141 3HZ LYS 17 3HZ LYS 17 -12.159 -13.103 7.119 142 H GLY 18 H GLY 18 -4.467 -10.228 9.666 143 1HA GLY 18 2HA GLY 18 -4.694 -8.332 11.776 144 2HA GLY 18 1HA GLY 18 -3.220 -8.748 10.915 145 HA PRO 19 HA PRO 19 -5.357 -4.557 9.564 146 1HB PRO 19 2HB PRO 19 -3.666 -3.301 11.649 147 2HB PRO 19 1HB PRO 19 -5.337 -2.952 11.193 148 1HG PRO 19 2HG PRO 19 -4.772 -4.223 13.469 149 2HG PRO 19 1HG PRO 19 -6.189 -4.669 12.500 150 1HD PRO 19 2HD PRO 19 -3.528 -6.027 12.708 151 2HD PRO 19 1HD PRO 19 -5.154 -6.739 12.638 152 H LEU 20 H LEU 20 -4.342 -3.362 8.042 153 HA LEU 20 HA LEU 20 -1.527 -3.984 7.562 154 1HB LEU 20 2HB LEU 20 -3.606 -2.681 5.802 155 2HB LEU 20 1HB LEU 20 -1.962 -3.043 5.313 156 HG LEU 20 HG LEU 20 -3.984 -5.123 6.153 157 1HD1 LEU 20 1HD1 LEU 20 -3.045 -4.355 3.390 158 2HD1 LEU 20 2HD1 LEU 20 -4.633 -3.999 4.073 159 3HD1 LEU 20 3HD1 LEU 20 -4.148 -5.672 3.795 160 1HD2 LEU 20 1HD2 LEU 20 -1.275 -5.380 4.852 161 2HD2 LEU 20 2HD2 LEU 20 -2.378 -6.704 5.230 162 3HD2 LEU 20 3HD2 LEU 20 -1.652 -5.760 6.531 163 H ARG 21 H ARG 21 0.066 -2.472 7.362 164 HA ARG 21 HA ARG 21 -0.448 0.184 8.418 165 1HB ARG 21 2HB ARG 21 1.581 -1.182 9.035 166 2HB ARG 21 1HB ARG 21 2.143 -0.990 7.382 167 1HG ARG 21 2HG ARG 21 3.289 0.617 8.664 168 2HG ARG 21 1HG ARG 21 2.053 1.496 7.761 169 1HD ARG 21 2HD ARG 21 0.605 1.453 9.749 170 2HD ARG 21 1HD ARG 21 1.880 0.628 10.645 171 HE ARG 21 HE ARG 21 2.340 3.285 9.471 172 1HH1 ARG 21 1HH1 ARG 21 2.211 1.173 12.273 173 2HH1 ARG 21 2HH1 ARG 21 2.934 2.347 13.336 174 1HH2 ARG 21 1HH2 ARG 21 3.280 4.812 10.854 175 2HH2 ARG 21 2HH2 ARG 21 3.545 4.416 12.531 176 H TYR 22 H TYR 22 -0.761 1.947 7.179 177 HA TYR 22 HA TYR 22 -0.772 1.593 4.286 178 1HB TYR 22 2HB TYR 22 -2.661 2.638 5.671 179 2HB TYR 22 1HB TYR 22 -1.624 4.048 5.831 180 HD1 TYR 22 1HD TYR 22 -4.067 2.410 3.844 181 HD2 TYR 22 2HD TYR 22 -0.838 5.169 3.615 182 HE1 TYR 22 1HE TYR 22 -4.956 3.267 1.718 183 HE2 TYR 22 2HE TYR 22 -1.722 6.035 1.491 184 HH TYR 22 HH TYR 22 -4.834 5.350 0.382 185 H LEU 23 H LEU 23 1.247 1.789 3.460 186 HA LEU 23 HA LEU 23 2.953 3.999 4.311 187 1HB LEU 23 2HB LEU 23 3.394 1.633 2.510 188 2HB LEU 23 1HB LEU 23 4.516 2.978 2.530 189 HG LEU 23 HG LEU 23 4.800 2.571 5.006 190 1HD1 LEU 23 1HD1 LEU 23 2.758 1.282 5.372 191 2HD1 LEU 23 2HD1 LEU 23 4.195 0.394 5.879 192 3HD1 LEU 23 3HD1 LEU 23 3.399 -0.010 4.358 193 1HD2 LEU 23 1HD2 LEU 23 6.329 0.700 4.673 194 2HD2 LEU 23 2HD2 LEU 23 6.451 1.879 3.367 195 3HD2 LEU 23 3HD2 LEU 23 5.581 0.366 3.112 196 H GLU 24 H GLU 24 2.458 5.887 3.477 197 HA GLU 24 HA GLU 24 1.138 6.215 0.962 198 1HB GLU 24 2HB GLU 24 2.391 8.229 2.837 199 2HB GLU 24 1HB GLU 24 1.375 8.633 1.458 200 1HG GLU 24 2HG GLU 24 -0.535 7.698 2.455 201 2HG GLU 24 1HG GLU 24 0.417 6.864 3.684 202 H SER 25 H SER 25 4.341 5.713 1.763 203 HA SER 25 HA SER 25 5.573 7.493 -0.107 204 1HB SER 25 2HB SER 25 7.617 6.054 0.412 205 2HB SER 25 1HB SER 25 6.877 6.884 1.781 206 HG SER 25 HG SER 25 7.433 4.457 1.859 207 H GLU 26 H GLU 26 5.404 3.934 -0.019 208 HA GLU 26 HA GLU 26 5.910 3.923 -2.913 209 1HB GLU 26 2HB GLU 26 6.173 1.665 -0.923 210 2HB GLU 26 1HB GLU 26 6.690 1.642 -2.603 211 1HG GLU 26 2HG GLU 26 8.370 3.312 -2.148 212 2HG GLU 26 1HG GLU 26 7.815 3.457 -0.481 213 H GLN 27 H GLN 27 3.287 4.142 -1.261 214 HA GLN 27 HA GLN 27 1.143 3.402 -1.294 215 1HB GLN 27 2HB GLN 27 2.049 2.602 -4.052 216 2HB GLN 27 1HB GLN 27 0.415 2.278 -3.497 217 1HG GLN 27 2HG GLN 27 0.263 4.271 -4.706 218 2HG GLN 27 1HG GLN 27 0.243 4.763 -3.016 219 1HE2 GLN 27 1HE2 GLN 27 1.940 5.965 -2.208 220 2HE2 GLN 27 2HE2 GLN 27 3.177 6.634 -3.209 221 H LEU 28 H LEU 28 2.420 1.877 0.313 222 HA LEU 28 HA LEU 28 1.967 -0.915 -0.512 223 1HB LEU 28 2HB LEU 28 4.048 0.216 1.356 224 2HB LEU 28 1HB LEU 28 3.717 -1.496 1.186 225 HG LEU 28 HG LEU 28 4.701 0.296 -1.034 226 1HD1 LEU 28 1HD1 LEU 28 6.166 -1.727 0.652 227 2HD1 LEU 28 2HD1 LEU 28 6.388 0.022 0.689 228 3HD1 LEU 28 3HD1 LEU 28 6.823 -0.890 -0.756 229 1HD2 LEU 28 1HD2 LEU 28 5.098 -1.812 -2.219 230 2HD2 LEU 28 2HD2 LEU 28 3.388 -1.585 -1.850 231 3HD2 LEU 28 3HD2 LEU 28 4.358 -2.697 -0.885 232 H LEU 29 H LEU 29 0.782 -2.181 0.773 233 HA LEU 29 HA LEU 29 0.033 -1.147 3.431 234 1HB LEU 29 2HB LEU 29 -1.337 -3.235 1.724 235 2HB LEU 29 1HB LEU 29 -1.851 -2.748 3.327 236 HG LEU 29 HG LEU 29 -1.803 -0.961 0.893 237 1HD1 LEU 29 1HD1 LEU 29 -4.106 -2.264 2.337 238 2HD1 LEU 29 2HD1 LEU 29 -3.519 -2.672 0.725 239 3HD1 LEU 29 3HD1 LEU 29 -4.245 -1.092 1.026 240 1HD2 LEU 29 1HD2 LEU 29 -2.844 -0.475 3.684 241 2HD2 LEU 29 2HD2 LEU 29 -3.023 0.617 2.311 242 3HD2 LEU 29 3HD2 LEU 29 -1.421 0.273 2.960 243 H VAL 30 H VAL 30 1.335 -1.983 4.927 244 HA VAL 30 HA VAL 30 2.408 -4.693 4.433 245 HB VAL 30 HB VAL 30 3.726 -2.465 5.991 246 1HG1 VAL 30 1HG1 VAL 30 4.766 -5.172 5.160 247 2HG1 VAL 30 2HG1 VAL 30 4.348 -4.675 6.800 248 3HG1 VAL 30 3HG1 VAL 30 5.702 -3.913 5.965 249 1HG2 VAL 30 1HG2 VAL 30 3.642 -1.968 3.597 250 2HG2 VAL 30 2HG2 VAL 30 4.391 -3.528 3.249 251 3HG2 VAL 30 3HG2 VAL 30 5.288 -2.296 4.136 252 H ASN 31 H ASN 31 1.811 -6.201 5.821 253 HA ASN 31 HA ASN 31 0.763 -5.412 8.436 254 1HB ASN 31 2HB ASN 31 -0.546 -7.063 7.205 255 2HB ASN 31 1HB ASN 31 0.861 -8.110 7.060 256 1HD2 ASN 31 1HD2 ASN 31 -0.249 -9.789 8.074 257 2HD2 ASN 31 2HD2 ASN 31 -0.528 -9.798 9.780 258 H GLU 32 H GLU 32 2.128 -5.224 10.040 259 HA GLU 32 HA GLU 32 4.817 -6.186 9.876 260 1HB GLU 32 2HB GLU 32 4.990 -5.186 12.187 261 2HB GLU 32 1HB GLU 32 4.490 -4.078 10.917 262 1HG GLU 32 2HG GLU 32 2.151 -4.361 11.622 263 2HG GLU 32 1HG GLU 32 2.692 -5.405 12.934 264 H ARG 33 H ARG 33 1.927 -7.518 10.960 265 HA ARG 33 HA ARG 33 2.998 -9.195 13.026 266 1HB ARG 33 2HB ARG 33 0.375 -9.179 11.534 267 2HB ARG 33 1HB ARG 33 0.754 -10.359 12.781 268 1HG ARG 33 2HG ARG 33 0.760 -8.758 14.469 269 2HG ARG 33 1HG ARG 33 0.935 -7.424 13.328 270 1HD ARG 33 2HD ARG 33 -1.335 -7.596 14.308 271 2HD ARG 33 1HD ARG 33 -1.316 -7.717 12.552 272 HE ARG 33 HE ARG 33 -1.350 -10.276 13.119 273 1HH1 ARG 33 1HH1 ARG 33 -3.037 -7.724 14.835 274 2HH1 ARG 33 2HH1 ARG 33 -4.403 -8.725 15.240 275 1HH2 ARG 33 1HH2 ARG 33 -3.176 -11.584 13.621 276 2HH2 ARG 33 2HH2 ARG 33 -4.486 -10.899 14.540 277 H LEU 34 H LEU 34 2.612 -9.425 9.571 278 HA LEU 34 HA LEU 34 3.516 -12.224 9.706 279 1HB LEU 34 2HB LEU 34 1.556 -11.006 7.766 280 2HB LEU 34 1HB LEU 34 2.235 -12.612 7.602 281 HG LEU 34 HG LEU 34 0.509 -11.695 9.906 282 1HD1 LEU 34 1HD1 LEU 34 -0.734 -11.830 7.801 283 2HD1 LEU 34 2HD1 LEU 34 -1.209 -13.115 8.911 284 3HD1 LEU 34 3HD1 LEU 34 -0.141 -13.473 7.554 285 1HD2 LEU 34 1HD2 LEU 34 1.555 -14.427 9.164 286 2HD2 LEU 34 2HD2 LEU 34 0.458 -14.062 10.496 287 3HD2 LEU 34 3HD2 LEU 34 2.108 -13.441 10.519 288 H ASN 35 H ASN 35 4.429 -9.203 8.807 289 HA ASN 35 HA ASN 35 6.043 -8.336 7.462 290 1HB ASN 35 2HB ASN 35 6.885 -11.237 7.421 291 2HB ASN 35 1HB ASN 35 7.795 -9.979 6.592 292 1HD2 ASN 35 1HD2 ASN 35 9.595 -10.349 7.874 293 2HD2 ASN 35 2HD2 ASN 35 9.663 -9.856 9.528 294 H LEU 36 H LEU 36 3.558 -8.825 6.282 295 HA LEU 36 HA LEU 36 4.316 -9.633 3.553 296 1HB LEU 36 2HB LEU 36 1.623 -9.861 4.905 297 2HB LEU 36 1HB LEU 36 1.931 -10.233 3.220 298 HG LEU 36 HG LEU 36 3.132 -11.687 5.578 299 1HD1 LEU 36 1HD1 LEU 36 1.697 -13.535 4.907 300 2HD1 LEU 36 2HD1 LEU 36 0.998 -12.546 3.625 301 3HD1 LEU 36 3HD1 LEU 36 0.739 -12.112 5.314 302 1HD2 LEU 36 1HD2 LEU 36 3.306 -12.278 2.625 303 2HD2 LEU 36 2HD2 LEU 36 3.979 -13.256 3.929 304 3HD2 LEU 36 3HD2 LEU 36 4.610 -11.638 3.627 305 H ALA 37 H ALA 37 3.955 -8.234 1.943 306 HA ALA 37 HA ALA 37 2.574 -5.716 2.609 307 1HB ALA 37 1HB ALA 37 4.993 -5.396 2.511 308 2HB ALA 37 2HB ALA 37 4.183 -4.542 1.199 309 3HB ALA 37 3HB ALA 37 5.017 -6.061 0.877 310 H TYR 38 H TYR 38 1.168 -4.914 1.201 311 HA TYR 38 HA TYR 38 0.865 -6.223 -1.430 312 1HB TYR 38 2HB TYR 38 -1.310 -4.905 0.225 313 2HB TYR 38 1HB TYR 38 -1.526 -5.751 -1.301 314 HD1 TYR 38 1HD TYR 38 -0.855 -6.156 2.292 315 HD2 TYR 38 2HD TYR 38 -1.620 -8.154 -1.384 316 HE1 TYR 38 1HE TYR 38 -1.275 -8.242 3.522 317 HE2 TYR 38 2HE TYR 38 -2.031 -10.247 -0.163 318 HH TYR 38 HH TYR 38 -1.506 -11.271 1.955 319 H ARG 39 H ARG 39 0.286 -4.792 -3.191 320 HA ARG 39 HA ARG 39 1.121 -2.037 -2.637 321 1HB ARG 39 2HB ARG 39 1.374 -3.805 -4.976 322 2HB ARG 39 1HB ARG 39 0.992 -2.128 -5.339 323 1HG ARG 39 2HG ARG 39 2.937 -1.486 -3.875 324 2HG ARG 39 1HG ARG 39 3.372 -3.196 -3.852 325 1HD ARG 39 2HD ARG 39 3.701 -3.227 -6.203 326 2HD ARG 39 1HD ARG 39 2.981 -1.626 -6.386 327 HE ARG 39 HE ARG 39 5.327 -1.714 -4.707 328 1HH1 ARG 39 1HH1 ARG 39 4.100 -1.294 -7.954 329 2HH1 ARG 39 2HH1 ARG 39 5.473 -0.376 -8.488 330 1HH2 ARG 39 1HH2 ARG 39 7.163 -0.532 -5.421 331 2HH2 ARG 39 2HH2 ARG 39 7.227 0.008 -7.076 332 H ILE 40 H ILE 40 -0.063 -0.291 -3.155 333 HA ILE 40 HA ILE 40 -2.845 -0.712 -3.963 334 HB ILE 40 HB ILE 40 -1.455 1.849 -3.131 335 1HG1 ILE 40 2HG1 ILE 40 -3.260 0.052 -1.493 336 2HG1 ILE 40 1HG1 ILE 40 -1.510 0.141 -1.327 337 1HG2 ILE 40 1HG2 ILE 40 -3.427 2.229 -4.495 338 2HG2 ILE 40 2HG2 ILE 40 -3.716 2.723 -2.830 339 3HG2 ILE 40 3HG2 ILE 40 -4.385 1.204 -3.425 340 1HD1 ILE 40 1HD1 ILE 40 -2.636 1.417 0.395 341 2HD1 ILE 40 2HD1 ILE 40 -3.444 2.390 -0.835 342 3HD1 ILE 40 3HD1 ILE 40 -1.690 2.472 -0.655 343 H ASP 41 H ASP 41 -3.234 -0.678 -6.099 344 HA ASP 41 HA ASP 41 -1.305 0.745 -7.813 345 1HB ASP 41 2HB ASP 41 -1.419 -1.748 -8.026 346 2HB ASP 41 1HB ASP 41 -3.084 -1.577 -8.573 347 H ASP 42 H ASP 42 -2.047 2.563 -8.601 348 HA ASP 42 HA ASP 42 -3.375 4.187 -9.450 349 1HB ASP 42 2HB ASP 42 -3.675 2.435 -11.241 350 2HB ASP 42 1HB ASP 42 -5.160 1.947 -10.427 351 H GLY 43 H GLY 43 -3.757 3.437 -6.766 352 1HA GLY 43 2HA GLY 43 -5.150 4.311 -5.118 353 2HA GLY 43 1HA GLY 43 -6.362 4.632 -6.346 354 H ILE 44 H ILE 44 -5.465 1.528 -6.855 355 HA ILE 44 HA ILE 44 -7.652 0.517 -5.167 356 HB ILE 44 HB ILE 44 -6.477 -0.672 -7.688 357 1HG1 ILE 44 2HG1 ILE 44 -9.172 0.601 -7.177 358 2HG1 ILE 44 1HG1 ILE 44 -7.845 1.353 -8.058 359 1HG2 ILE 44 1HG2 ILE 44 -8.823 -1.599 -6.030 360 2HG2 ILE 44 2HG2 ILE 44 -7.251 -2.391 -6.125 361 3HG2 ILE 44 3HG2 ILE 44 -8.282 -2.309 -7.553 362 1HD1 ILE 44 1HD1 ILE 44 -9.340 -1.135 -8.862 363 2HD1 ILE 44 2HD1 ILE 44 -7.987 -0.418 -9.743 364 3HD1 ILE 44 3HD1 ILE 44 -9.502 0.471 -9.574 365 HA PRO 45 HA PRO 45 -4.256 -1.492 -2.974 366 1HB PRO 45 2HB PRO 45 -5.823 -2.456 -0.961 367 2HB PRO 45 1HB PRO 45 -5.199 -0.805 -0.997 368 1HG PRO 45 2HG PRO 45 -7.911 -1.824 -1.731 369 2HG PRO 45 1HG PRO 45 -7.463 -0.348 -0.856 370 1HD PRO 45 2HD PRO 45 -8.156 -0.359 -3.484 371 2HD PRO 45 1HD PRO 45 -7.022 0.815 -2.789 372 H VAL 46 H VAL 46 -3.615 -3.292 -4.014 373 HA VAL 46 HA VAL 46 -5.505 -5.279 -4.875 374 HB VAL 46 HB VAL 46 -2.486 -5.387 -4.981 375 1HG1 VAL 46 1HG1 VAL 46 -4.572 -6.907 -6.539 376 2HG1 VAL 46 2HG1 VAL 46 -3.570 -7.561 -5.244 377 3HG1 VAL 46 3HG1 VAL 46 -2.826 -7.023 -6.751 378 1HG2 VAL 46 1HG2 VAL 46 -3.309 -3.417 -6.157 379 2HG2 VAL 46 2HG2 VAL 46 -4.448 -4.415 -7.062 380 3HG2 VAL 46 3HG2 VAL 46 -2.713 -4.620 -7.300 381 H LEU 47 H LEU 47 -6.388 -6.128 -2.994 382 HA LEU 47 HA LEU 47 -4.551 -7.431 -1.130 383 1HB LEU 47 2HB LEU 47 -7.510 -6.897 -0.872 384 2HB LEU 47 1HB LEU 47 -6.500 -7.629 0.359 385 HG LEU 47 HG LEU 47 -6.256 -4.802 -0.677 386 1HD1 LEU 47 1HD1 LEU 47 -7.182 -5.851 1.995 387 2HD1 LEU 47 2HD1 LEU 47 -8.220 -5.173 0.740 388 3HD1 LEU 47 3HD1 LEU 47 -7.020 -4.155 1.539 389 1HD2 LEU 47 1HD2 LEU 47 -4.597 -4.521 1.101 390 2HD2 LEU 47 2HD2 LEU 47 -4.086 -5.728 -0.079 391 3HD2 LEU 47 3HD2 LEU 47 -4.720 -6.236 1.486 392 H LEU 48 H LEU 48 -4.066 -9.107 -2.645 393 HA LEU 48 HA LEU 48 -6.154 -11.177 -2.705 394 1HB LEU 48 2HB LEU 48 -3.835 -10.827 -4.604 395 2HB LEU 48 1HB LEU 48 -4.997 -12.138 -4.653 396 HG LEU 48 HG LEU 48 -5.608 -9.223 -5.147 397 1HD1 LEU 48 1HD1 LEU 48 -4.334 -10.245 -6.951 398 2HD1 LEU 48 2HD1 LEU 48 -6.000 -9.948 -7.451 399 3HD1 LEU 48 3HD1 LEU 48 -5.483 -11.579 -7.025 400 1HD2 LEU 48 1HD2 LEU 48 -7.491 -10.369 -4.108 401 2HD2 LEU 48 2HD2 LEU 48 -7.386 -11.656 -5.308 402 3HD2 LEU 48 3HD2 LEU 48 -7.831 -10.024 -5.804 403 H ILE 49 H ILE 49 -5.454 -13.335 -2.332 404 HA ILE 49 HA ILE 49 -3.815 -13.575 -0.101 405 HB ILE 49 HB ILE 49 -4.800 -15.634 -2.060 406 1HG1 ILE 49 2HG1 ILE 49 -5.568 -14.866 0.764 407 2HG1 ILE 49 1HG1 ILE 49 -6.505 -14.583 -0.702 408 1HG2 ILE 49 1HG2 ILE 49 -3.290 -16.150 0.500 409 2HG2 ILE 49 2HG2 ILE 49 -2.726 -16.501 -1.134 410 3HG2 ILE 49 3HG2 ILE 49 -4.110 -17.370 -0.473 411 1HD1 ILE 49 1HD1 ILE 49 -6.762 -17.005 -0.968 412 2HD1 ILE 49 2HD1 ILE 49 -7.421 -16.417 0.557 413 3HD1 ILE 49 3HD1 ILE 49 -5.866 -17.251 0.531 414 H ASP 50 H ASP 50 -3.034 -14.324 -3.493 415 HA ASP 50 HA ASP 50 -0.335 -15.070 -2.694 416 1HB ASP 50 2HB ASP 50 -1.791 -15.199 -5.325 417 2HB ASP 50 1HB ASP 50 -0.062 -15.503 -5.197 418 H GLU 51 H GLU 51 -1.613 -12.219 -2.917 419 HA GLU 51 HA GLU 51 0.531 -10.958 -4.452 420 1HB GLU 51 2HB GLU 51 -1.947 -9.912 -3.103 421 2HB GLU 51 1HB GLU 51 -0.677 -8.829 -3.653 422 1HG GLU 51 2HG GLU 51 -2.159 -10.777 -5.401 423 2HG GLU 51 1HG GLU 51 -2.524 -9.058 -5.261 424 H ALA 52 H ALA 52 -0.021 -12.144 -1.417 425 HA ALA 52 HA ALA 52 1.191 -10.138 0.198 426 1HB ALA 52 1HB ALA 52 1.205 -11.813 1.945 427 2HB ALA 52 2HB ALA 52 0.873 -13.083 0.766 428 3HB ALA 52 3HB ALA 52 -0.337 -11.843 1.092 429 H THR 53 H THR 53 3.166 -9.532 -0.512 430 HA THR 53 HA THR 53 5.208 -11.564 -0.966 431 HB THR 53 HB THR 53 6.635 -9.580 -1.592 432 HG1 THR 53 1HG THR 53 4.151 -8.179 -1.400 433 1HG2 THR 53 1HG2 THR 53 5.500 -9.191 -3.741 434 2HG2 THR 53 2HG2 THR 53 4.041 -9.946 -3.096 435 3HG2 THR 53 3HG2 THR 53 5.513 -10.897 -3.300 436 H GLU 54 H GLU 54 7.047 -11.774 0.315 437 HA GLU 54 HA GLU 54 6.770 -10.893 3.037 438 1HB GLU 54 2HB GLU 54 9.039 -12.327 1.637 439 2HB GLU 54 1HB GLU 54 8.922 -12.080 3.376 440 1HG GLU 54 2HG GLU 54 6.885 -13.406 3.445 441 2HG GLU 54 1HG GLU 54 6.960 -13.632 1.698 442 H TRP 55 H TRP 55 7.564 -9.099 3.913 443 HA TRP 55 HA TRP 55 9.323 -7.444 2.220 444 1HB TRP 55 2HB TRP 55 6.843 -6.786 2.512 445 2HB TRP 55 1HB TRP 55 7.291 -6.348 4.155 446 HD1 TRP 55 HD TRP 55 7.992 -3.896 4.445 447 HE1 TRP 55 1HE TRP 55 8.835 -2.019 2.889 448 HE3 TRP 55 3HE TRP 55 8.360 -6.557 0.094 449 HZ2 TRP 55 2HZ TRP 55 9.557 -1.721 0.179 450 HZ3 TRP 55 3HZ TRP 55 9.137 -5.403 -1.931 451 HH2 TRP 55 HH TRP 55 9.724 -3.035 -1.891 452 H THR 56 H THR 56 10.328 -5.620 3.580 453 HA THR 56 HA THR 56 12.098 -6.635 5.456 454 HB THR 56 HB THR 56 11.234 -3.756 5.401 455 HG1 THR 56 1HG THR 56 12.191 -3.487 3.483 456 1HG2 THR 56 1HG2 THR 56 13.919 -5.086 5.780 457 2HG2 THR 56 2HG2 THR 56 12.929 -4.372 7.054 458 3HG2 THR 56 3HG2 THR 56 13.622 -3.347 5.796 459 HA PRO 57 HA PRO 57 9.453 -6.992 9.060 460 1HB PRO 57 2HB PRO 57 11.521 -7.184 10.880 461 2HB PRO 57 1HB PRO 57 10.861 -8.543 9.963 462 1HG PRO 57 2HG PRO 57 13.308 -6.909 9.445 463 2HG PRO 57 1HG PRO 57 13.062 -8.655 9.257 464 1HD PRO 57 2HD PRO 57 13.058 -6.987 7.150 465 2HD PRO 57 1HD PRO 57 12.004 -8.415 7.214 466 H ASN 58 H ASN 58 8.528 -5.408 10.176 467 HA ASN 58 HA ASN 58 9.530 -2.765 10.093 468 1HB ASN 58 2HB ASN 58 7.137 -3.209 10.157 469 2HB ASN 58 1HB ASN 58 7.289 -3.947 11.749 470 1HD2 ASN 58 1HD2 ASN 58 5.738 -2.437 12.510 471 2HD2 ASN 58 2HD2 ASN 58 6.194 -0.812 12.867 472 H ASN 59 H ASN 59 11.067 -1.907 11.263 473 HA ASN 59 HA ASN 59 12.124 -3.209 13.568 474 1HB ASN 59 2HB ASN 59 13.642 -2.111 12.050 475 2HB ASN 59 1HB ASN 59 12.797 -0.582 12.242 476 1HD2 ASN 59 1HD2 ASN 59 13.302 0.730 13.924 477 2HD2 ASN 59 2HD2 ASN 59 14.541 0.384 15.085 478 H LEU 60 H LEU 60 9.609 -1.144 13.141 479 HA LEU 60 HA LEU 60 9.800 0.176 15.722 480 1HB LEU 60 2HB LEU 60 7.554 0.144 13.698 481 2HB LEU 60 1HB LEU 60 7.577 1.111 15.160 482 HG LEU 60 HG LEU 60 9.509 1.391 12.853 483 1HD1 LEU 60 1HD1 LEU 60 7.249 2.124 12.290 484 2HD1 LEU 60 2HD1 LEU 60 8.359 3.489 12.415 485 3HD1 LEU 60 3HD1 LEU 60 7.224 3.153 13.723 486 1HD2 LEU 60 1HD2 LEU 60 9.170 3.034 15.360 487 2HD2 LEU 60 2HD2 LEU 60 10.246 3.413 14.017 488 3HD2 LEU 60 3HD2 LEU 60 10.526 1.970 14.989 489 H GLU 61 H GLU 61 9.946 -1.824 16.915 490 HA GLU 61 HA GLU 61 7.571 -3.513 16.983 491 1HB GLU 61 2HB GLU 61 10.217 -4.095 17.155 492 2HB GLU 61 1HB GLU 61 9.825 -3.970 18.862 493 1HG GLU 61 2HG GLU 61 8.255 -5.713 16.993 494 2HG GLU 61 1HG GLU 61 9.726 -6.272 17.786 Start of MODEL 4 1 1H MET 1 1HT MET 1 -12.551 20.274 3.240 2 2H MET 1 2HT MET 1 -12.781 20.241 4.918 3 3H MET 1 3HT MET 1 -13.293 18.934 3.971 4 HA MET 1 HA MET 1 -11.050 18.383 3.405 5 1HB MET 1 2HB MET 1 -9.165 19.579 4.327 6 2HB MET 1 1HB MET 1 -10.194 20.722 3.480 7 1HG MET 1 2HG MET 1 -10.165 20.320 6.466 8 2HG MET 1 1HG MET 1 -9.289 21.585 5.608 9 1HE MET 1 1HE MET 1 -12.144 23.556 7.420 10 2HE MET 1 2HE MET 1 -10.408 23.443 7.143 11 3HE MET 1 3HE MET 1 -11.245 22.166 8.022 12 H SER 2 H SER 2 -10.139 16.756 4.607 13 HA SER 2 HA SER 2 -10.058 16.520 7.378 14 1HB SER 2 2HB SER 2 -12.515 16.546 7.313 15 2HB SER 2 1HB SER 2 -12.517 15.245 6.124 16 HG SER 2 HG SER 2 -12.081 13.824 7.646 17 H LEU 3 H LEU 3 -9.452 14.272 8.028 18 HA LEU 3 HA LEU 3 -8.066 12.800 6.041 19 1HB LEU 3 2HB LEU 3 -9.000 12.098 8.816 20 2HB LEU 3 1HB LEU 3 -8.205 10.920 7.793 21 HG LEU 3 HG LEU 3 -6.251 12.532 7.652 22 1HD1 LEU 3 1HD1 LEU 3 -7.390 14.555 8.361 23 2HD1 LEU 3 2HD1 LEU 3 -6.054 14.178 9.450 24 3HD1 LEU 3 3HD1 LEU 3 -7.714 13.838 9.940 25 1HD2 LEU 3 1HD2 LEU 3 -5.358 11.849 9.817 26 2HD2 LEU 3 2HD2 LEU 3 -6.222 10.522 9.039 27 3HD2 LEU 3 3HD2 LEU 3 -6.979 11.415 10.357 28 H ASP 4 H ASP 4 -8.707 10.983 4.866 29 HA ASP 4 HA ASP 4 -11.637 10.684 4.777 30 1HB ASP 4 2HB ASP 4 -10.459 11.977 2.879 31 2HB ASP 4 1HB ASP 4 -9.879 10.398 2.359 32 HA PRO 5 HA PRO 5 -10.036 6.449 5.472 33 1HB PRO 5 2HB PRO 5 -12.153 5.615 6.941 34 2HB PRO 5 1HB PRO 5 -10.801 6.517 7.637 35 1HG PRO 5 2HG PRO 5 -13.503 7.491 6.810 36 2HG PRO 5 1HG PRO 5 -12.557 7.905 8.252 37 1HD PRO 5 2HD PRO 5 -12.696 9.507 6.058 38 2HD PRO 5 1HD PRO 5 -11.285 9.447 7.131 39 H GLN 6 H GLN 6 -12.576 7.817 3.754 40 HA GLN 6 HA GLN 6 -13.832 5.323 2.978 41 1HB GLN 6 2HB GLN 6 -14.218 8.069 1.777 42 2HB GLN 6 1HB GLN 6 -15.278 6.677 1.596 43 1HG GLN 6 2HG GLN 6 -14.773 8.257 4.104 44 2HG GLN 6 1HG GLN 6 -16.251 8.220 3.145 45 1HE2 GLN 6 1HE2 GLN 6 -15.778 7.578 5.964 46 2HE2 GLN 6 2HE2 GLN 6 -16.339 5.950 6.179 47 H LEU 7 H LEU 7 -11.393 7.526 1.840 48 HA LEU 7 HA LEU 7 -11.055 6.125 -0.669 49 1HB LEU 7 2HB LEU 7 -9.291 8.147 0.720 50 2HB LEU 7 1HB LEU 7 -9.035 7.538 -0.903 51 HG LEU 7 HG LEU 7 -11.383 9.202 0.015 52 1HD1 LEU 7 1HD1 LEU 7 -9.326 10.483 -0.137 53 2HD1 LEU 7 2HD1 LEU 7 -10.430 10.917 -1.442 54 3HD1 LEU 7 3HD1 LEU 7 -9.046 9.871 -1.768 55 1HD2 LEU 7 1HD2 LEU 7 -12.016 7.601 -1.716 56 2HD2 LEU 7 2HD2 LEU 7 -10.690 8.169 -2.729 57 3HD2 LEU 7 3HD2 LEU 7 -12.021 9.252 -2.331 58 H LEU 8 H LEU 8 -10.620 5.168 2.335 59 HA LEU 8 HA LEU 8 -8.103 3.744 1.794 60 1HB LEU 8 2HB LEU 8 -9.299 4.490 4.464 61 2HB LEU 8 1HB LEU 8 -7.815 3.586 4.229 62 HG LEU 8 HG LEU 8 -8.267 6.452 3.390 63 1HD1 LEU 8 1HD1 LEU 8 -6.657 5.282 5.656 64 2HD1 LEU 8 2HD1 LEU 8 -8.146 6.217 5.805 65 3HD1 LEU 8 3HD1 LEU 8 -6.681 6.979 5.182 66 1HD2 LEU 8 1HD2 LEU 8 -5.860 6.458 2.934 67 2HD2 LEU 8 2HD2 LEU 8 -6.715 5.308 1.908 68 3HD2 LEU 8 3HD2 LEU 8 -5.791 4.733 3.293 69 H GLU 9 H GLU 9 -11.395 3.507 3.026 70 HA GLU 9 HA GLU 9 -12.805 1.762 3.336 71 1HB GLU 9 2HB GLU 9 -10.762 0.444 1.579 72 2HB GLU 9 1HB GLU 9 -12.059 -0.502 2.296 73 1HG GLU 9 2HG GLU 9 -12.455 1.918 0.551 74 2HG GLU 9 1HG GLU 9 -12.547 0.243 0.004 75 H VAL 10 H VAL 10 -12.604 -0.796 4.075 76 HA VAL 10 HA VAL 10 -11.223 -0.648 6.611 77 HB VAL 10 HB VAL 10 -12.796 -2.957 5.456 78 1HG1 VAL 10 1HG1 VAL 10 -11.278 -3.650 7.220 79 2HG1 VAL 10 2HG1 VAL 10 -12.945 -3.718 7.785 80 3HG1 VAL 10 3HG1 VAL 10 -11.901 -2.387 8.280 81 1HG2 VAL 10 1HG2 VAL 10 -14.200 -0.985 5.667 82 2HG2 VAL 10 2HG2 VAL 10 -13.680 -0.773 7.339 83 3HG2 VAL 10 3HG2 VAL 10 -14.634 -2.185 6.883 84 H LEU 11 H LEU 11 -9.064 -0.769 6.294 85 HA LEU 11 HA LEU 11 -7.979 -2.719 4.442 86 1HB LEU 11 2HB LEU 11 -6.656 -0.606 6.132 87 2HB LEU 11 1HB LEU 11 -5.787 -1.691 5.065 88 HG LEU 11 HG LEU 11 -7.873 0.310 4.189 89 1HD1 LEU 11 1HD1 LEU 11 -5.810 1.376 4.955 90 2HD1 LEU 11 2HD1 LEU 11 -6.014 1.530 3.209 91 3HD1 LEU 11 3HD1 LEU 11 -4.878 0.350 3.863 92 1HD2 LEU 11 1HD2 LEU 11 -6.087 -1.531 2.597 93 2HD2 LEU 11 2HD2 LEU 11 -7.101 -0.255 1.919 94 3HD2 LEU 11 3HD2 LEU 11 -7.845 -1.632 2.738 95 H ALA 12 H ALA 12 -8.020 -4.715 5.197 96 HA ALA 12 HA ALA 12 -6.381 -5.294 7.551 97 1HB ALA 12 1HB ALA 12 -8.671 -5.432 8.348 98 2HB ALA 12 2HB ALA 12 -7.971 -7.047 8.258 99 3HB ALA 12 3HB ALA 12 -9.095 -6.503 7.014 100 H CYS 13 H CYS 13 -5.243 -7.229 7.390 101 HA CYS 13 HA CYS 13 -4.767 -8.090 4.697 102 1HB CYS 13 2HB CYS 13 -3.147 -9.676 5.843 103 2HB CYS 13 1HB CYS 13 -2.855 -7.958 6.095 104 HG CYS 13 HG CYS 13 -3.787 -7.866 8.670 105 HA PRO 14 HA PRO 14 -7.876 -11.225 4.504 106 1HB PRO 14 2HB PRO 14 -5.989 -12.527 2.620 107 2HB PRO 14 1HB PRO 14 -7.678 -12.068 2.384 108 1HG PRO 14 2HG PRO 14 -5.709 -10.664 1.262 109 2HG PRO 14 1HG PRO 14 -7.153 -9.864 1.913 110 1HD PRO 14 2HD PRO 14 -4.404 -10.056 3.073 111 2HD PRO 14 1HD PRO 14 -5.551 -8.702 3.103 112 H LYS 15 H LYS 15 -4.488 -12.056 4.970 113 HA LYS 15 HA LYS 15 -5.018 -14.789 5.664 114 1HB LYS 15 2HB LYS 15 -2.532 -13.102 5.975 115 2HB LYS 15 1HB LYS 15 -2.614 -14.820 6.340 116 1HG LYS 15 2HG LYS 15 -3.261 -15.221 3.966 117 2HG LYS 15 1HG LYS 15 -2.959 -13.510 3.655 118 1HD LYS 15 2HD LYS 15 -1.021 -14.856 3.045 119 2HD LYS 15 1HD LYS 15 -0.643 -13.785 4.393 120 1HE LYS 15 2HE LYS 15 -0.850 -15.596 5.961 121 2HE LYS 15 1HE LYS 15 -1.431 -16.680 4.700 122 1HZ LYS 15 1HZ LYS 15 1.290 -15.491 4.870 123 2HZ LYS 15 2HZ LYS 15 0.734 -16.477 3.612 124 3HZ LYS 15 3HZ LYS 15 0.876 -17.103 5.182 125 H ASP 16 H ASP 16 -3.762 -12.039 7.547 126 HA ASP 16 HA ASP 16 -4.023 -13.607 9.977 127 1HB ASP 16 2HB ASP 16 -1.943 -12.422 9.582 128 2HB ASP 16 1HB ASP 16 -2.801 -10.899 9.418 129 H LYS 17 H LYS 17 -5.702 -11.109 8.324 130 HA LYS 17 HA LYS 17 -7.549 -9.885 8.771 131 1HB LYS 17 2HB LYS 17 -7.769 -12.055 10.764 132 2HB LYS 17 1HB LYS 17 -8.691 -10.601 11.122 133 1HG LYS 17 2HG LYS 17 -10.112 -12.101 9.936 134 2HG LYS 17 1HG LYS 17 -9.716 -10.763 8.859 135 1HD LYS 17 2HD LYS 17 -9.554 -12.730 7.557 136 2HD LYS 17 1HD LYS 17 -7.895 -12.238 7.907 137 1HE LYS 17 2HE LYS 17 -7.732 -13.891 9.656 138 2HE LYS 17 1HE LYS 17 -9.429 -14.325 9.452 139 1HZ LYS 17 1HZ LYS 17 -8.851 -14.982 7.131 140 2HZ LYS 17 2HZ LYS 17 -8.124 -15.943 8.327 141 3HZ LYS 17 3HZ LYS 17 -7.216 -14.763 7.523 142 H GLY 18 H GLY 18 -4.821 -9.365 9.962 143 1HA GLY 18 2HA GLY 18 -5.536 -7.624 12.197 144 2HA GLY 18 1HA GLY 18 -3.907 -7.999 11.654 145 HA PRO 19 HA PRO 19 -5.663 -3.845 9.997 146 1HB PRO 19 2HB PRO 19 -4.085 -2.178 11.486 147 2HB PRO 19 1HB PRO 19 -5.717 -2.662 11.958 148 1HG PRO 19 2HG PRO 19 -3.081 -3.738 12.867 149 2HG PRO 19 1HG PRO 19 -4.544 -3.410 13.813 150 1HD PRO 19 2HD PRO 19 -3.859 -5.899 13.039 151 2HD PRO 19 1HD PRO 19 -5.552 -5.387 13.174 152 H LEU 20 H LEU 20 -4.709 -2.974 8.259 153 HA LEU 20 HA LEU 20 -1.950 -3.695 7.696 154 1HB LEU 20 2HB LEU 20 -4.113 -2.437 6.020 155 2HB LEU 20 1HB LEU 20 -2.468 -2.658 5.451 156 HG LEU 20 HG LEU 20 -4.305 -4.886 6.323 157 1HD1 LEU 20 1HD1 LEU 20 -3.488 -3.990 3.565 158 2HD1 LEU 20 2HD1 LEU 20 -5.093 -3.831 4.279 159 3HD1 LEU 20 3HD1 LEU 20 -4.430 -5.431 3.945 160 1HD2 LEU 20 1HD2 LEU 20 -1.968 -5.422 6.667 161 2HD2 LEU 20 2HD2 LEU 20 -1.587 -4.914 5.023 162 3HD2 LEU 20 3HD2 LEU 20 -2.603 -6.329 5.295 163 H ARG 21 H ARG 21 -0.285 -2.339 7.670 164 HA ARG 21 HA ARG 21 -0.698 0.386 8.559 165 1HB ARG 21 2HB ARG 21 1.833 -1.146 7.918 166 2HB ARG 21 1HB ARG 21 1.786 0.491 8.565 167 1HG ARG 21 2HG ARG 21 0.682 -0.319 10.574 168 2HG ARG 21 1HG ARG 21 0.686 -1.961 9.929 169 1HD ARG 21 2HD ARG 21 2.504 -1.652 11.520 170 2HD ARG 21 1HD ARG 21 3.134 -1.941 9.899 171 HE ARG 21 HE ARG 21 3.114 0.724 9.974 172 1HH1 ARG 21 1HH1 ARG 21 4.263 -1.612 12.333 173 2HH1 ARG 21 2HH1 ARG 21 5.490 -0.556 12.960 174 1HH2 ARG 21 1HH2 ARG 21 4.748 2.074 10.748 175 2HH2 ARG 21 2HH2 ARG 21 5.772 1.546 12.048 176 H TYR 22 H TYR 22 -0.638 2.123 7.309 177 HA TYR 22 HA TYR 22 -0.592 1.638 4.432 178 1HB TYR 22 2HB TYR 22 -2.541 2.751 5.622 179 2HB TYR 22 1HB TYR 22 -1.486 4.129 5.886 180 HD1 TYR 22 1HD TYR 22 -3.404 2.242 3.420 181 HD2 TYR 22 2HD TYR 22 -0.863 5.593 4.035 182 HE1 TYR 22 1HE TYR 22 -4.079 3.142 1.236 183 HE2 TYR 22 2HE TYR 22 -1.530 6.503 1.849 184 HH TYR 22 HH TYR 22 -4.186 5.279 0.084 185 H LEU 23 H LEU 23 1.233 2.053 3.374 186 HA LEU 23 HA LEU 23 2.963 4.221 4.351 187 1HB LEU 23 2HB LEU 23 3.520 1.860 2.562 188 2HB LEU 23 1HB LEU 23 4.631 3.205 2.707 189 HG LEU 23 HG LEU 23 5.451 1.499 4.120 190 1HD1 LEU 23 1HD1 LEU 23 4.002 3.551 5.777 191 2HD1 LEU 23 2HD1 LEU 23 5.628 3.681 5.098 192 3HD1 LEU 23 3HD1 LEU 23 5.291 2.500 6.366 193 1HD2 LEU 23 1HD2 LEU 23 3.422 0.140 4.270 194 2HD2 LEU 23 2HD2 LEU 23 2.714 1.320 5.377 195 3HD2 LEU 23 3HD2 LEU 23 4.146 0.408 5.856 196 H GLU 24 H GLU 24 2.143 6.042 3.490 197 HA GLU 24 HA GLU 24 0.925 6.259 0.968 198 1HB GLU 24 2HB GLU 24 2.312 8.460 2.502 199 2HB GLU 24 1HB GLU 24 1.075 8.658 1.269 200 1HG GLU 24 2HG GLU 24 -0.232 8.896 3.089 201 2HG GLU 24 1HG GLU 24 -0.295 7.140 2.971 202 H SER 25 H SER 25 4.247 6.666 1.998 203 HA SER 25 HA SER 25 5.320 8.145 -0.039 204 1HB SER 25 2HB SER 25 6.733 5.853 1.316 205 2HB SER 25 1HB SER 25 7.452 7.326 0.668 206 HG SER 25 HG SER 25 7.175 7.403 2.960 207 H GLU 26 H GLU 26 4.680 4.656 -0.070 208 HA GLU 26 HA GLU 26 5.518 4.624 -2.886 209 1HB GLU 26 2HB GLU 26 7.245 3.698 -1.220 210 2HB GLU 26 1HB GLU 26 6.134 2.351 -1.011 211 1HG GLU 26 2HG GLU 26 6.357 1.706 -3.282 212 2HG GLU 26 1HG GLU 26 7.225 3.187 -3.683 213 H GLN 27 H GLN 27 2.968 4.427 -1.059 214 HA GLN 27 HA GLN 27 0.902 3.491 -1.178 215 1HB GLN 27 2HB GLN 27 1.823 2.755 -3.961 216 2HB GLN 27 1HB GLN 27 0.161 2.691 -3.399 217 1HG GLN 27 2HG GLN 27 1.847 5.176 -3.559 218 2HG GLN 27 1HG GLN 27 0.629 4.690 -4.737 219 1HE2 GLN 27 1HE2 GLN 27 1.213 6.035 -1.608 220 2HE2 GLN 27 2HE2 GLN 27 -0.421 6.484 -1.259 221 H LEU 28 H LEU 28 2.097 1.953 0.403 222 HA LEU 28 HA LEU 28 1.703 -0.792 -0.577 223 1HB LEU 28 2HB LEU 28 3.956 0.234 1.144 224 2HB LEU 28 1HB LEU 28 3.582 -1.467 0.952 225 HG LEU 28 HG LEU 28 4.394 0.385 -1.292 226 1HD1 LEU 28 1HD1 LEU 28 5.957 -1.757 0.146 227 2HD1 LEU 28 2HD1 LEU 28 6.221 -0.020 0.288 228 3HD1 LEU 28 3HD1 LEU 28 6.510 -0.834 -1.251 229 1HD2 LEU 28 1HD2 LEU 28 2.949 -1.435 -2.037 230 2HD2 LEU 28 2HD2 LEU 28 3.984 -2.605 -1.217 231 3HD2 LEU 28 3HD2 LEU 28 4.606 -1.686 -2.588 232 H LEU 29 H LEU 29 0.847 -2.243 0.871 233 HA LEU 29 HA LEU 29 0.038 -1.170 3.498 234 1HB LEU 29 2HB LEU 29 -1.362 -3.191 1.741 235 2HB LEU 29 1HB LEU 29 -1.855 -2.791 3.377 236 HG LEU 29 HG LEU 29 -1.785 -0.838 1.074 237 1HD1 LEU 29 1HD1 LEU 29 -4.245 -0.965 1.207 238 2HD1 LEU 29 2HD1 LEU 29 -4.092 -2.290 2.362 239 3HD1 LEU 29 3HD1 LEU 29 -3.510 -2.488 0.709 240 1HD2 LEU 29 1HD2 LEU 29 -3.020 0.622 2.593 241 2HD2 LEU 29 2HD2 LEU 29 -1.436 0.208 3.251 242 3HD2 LEU 29 3HD2 LEU 29 -2.883 -0.586 3.871 243 H VAL 30 H VAL 30 1.261 -2.039 5.040 244 HA VAL 30 HA VAL 30 2.201 -4.815 4.664 245 HB VAL 30 HB VAL 30 3.651 -2.623 6.156 246 1HG1 VAL 30 1HG1 VAL 30 5.550 -4.184 6.115 247 2HG1 VAL 30 2HG1 VAL 30 4.522 -5.394 5.349 248 3HG1 VAL 30 3HG1 VAL 30 4.164 -4.842 6.986 249 1HG2 VAL 30 1HG2 VAL 30 5.224 -2.565 4.285 250 2HG2 VAL 30 2HG2 VAL 30 3.598 -2.111 3.773 251 3HG2 VAL 30 3HG2 VAL 30 4.222 -3.719 3.402 252 H ASN 31 H ASN 31 1.777 -6.237 6.276 253 HA ASN 31 HA ASN 31 0.733 -5.128 8.790 254 1HB ASN 31 2HB ASN 31 -0.813 -6.699 7.730 255 2HB ASN 31 1HB ASN 31 0.441 -7.935 7.693 256 1HD2 ASN 31 1HD2 ASN 31 -0.985 -9.278 8.902 257 2HD2 ASN 31 2HD2 ASN 31 -1.170 -9.069 10.608 258 H GLU 32 H GLU 32 1.879 -5.234 10.547 259 HA GLU 32 HA GLU 32 4.584 -5.885 10.548 260 1HB GLU 32 2HB GLU 32 3.470 -4.308 12.106 261 2HB GLU 32 1HB GLU 32 2.728 -5.674 12.923 262 1HG GLU 32 2HG GLU 32 5.060 -6.508 13.392 263 2HG GLU 32 1HG GLU 32 5.638 -4.943 12.819 264 H ARG 33 H ARG 33 1.796 -7.732 11.690 265 HA ARG 33 HA ARG 33 3.524 -9.810 12.746 266 1HB ARG 33 2HB ARG 33 0.552 -9.345 12.816 267 2HB ARG 33 1HB ARG 33 1.277 -10.841 13.396 268 1HG ARG 33 2HG ARG 33 2.569 -9.636 15.038 269 2HG ARG 33 1HG ARG 33 1.999 -8.096 14.399 270 1HD ARG 33 2HD ARG 33 0.170 -10.194 15.551 271 2HD ARG 33 1HD ARG 33 0.873 -8.888 16.504 272 HE ARG 33 HE ARG 33 -1.172 -8.646 14.426 273 1HH1 ARG 33 1HH1 ARG 33 0.920 -7.076 16.762 274 2HH1 ARG 33 2HH1 ARG 33 0.006 -5.603 16.775 275 1HH2 ARG 33 1HH2 ARG 33 -2.384 -6.736 14.467 276 2HH2 ARG 33 2HH2 ARG 33 -1.886 -5.405 15.479 277 H LEU 34 H LEU 34 2.857 -9.181 9.742 278 HA LEU 34 HA LEU 34 2.734 -12.041 9.053 279 1HB LEU 34 2HB LEU 34 1.625 -9.675 7.571 280 2HB LEU 34 1HB LEU 34 1.960 -11.194 6.763 281 HG LEU 34 HG LEU 34 0.016 -10.779 9.031 282 1HD1 LEU 34 1HD1 LEU 34 -0.402 -11.411 6.107 283 2HD1 LEU 34 2HD1 LEU 34 -0.764 -9.877 6.903 284 3HD1 LEU 34 3HD1 LEU 34 -1.670 -11.330 7.332 285 1HD2 LEU 34 1HD2 LEU 34 1.048 -12.970 9.187 286 2HD2 LEU 34 2HD2 LEU 34 0.736 -13.268 7.476 287 3HD2 LEU 34 3HD2 LEU 34 -0.610 -13.132 8.606 288 H ASN 35 H ASN 35 4.317 -8.981 8.621 289 HA ASN 35 HA ASN 35 6.229 -8.324 7.589 290 1HB ASN 35 2HB ASN 35 6.794 -11.299 7.525 291 2HB ASN 35 1HB ASN 35 7.952 -10.069 7.035 292 1HD2 ASN 35 1HD2 ASN 35 7.143 -8.207 9.121 293 2HD2 ASN 35 2HD2 ASN 35 7.769 -8.834 10.600 294 H LEU 36 H LEU 36 3.773 -8.926 6.164 295 HA LEU 36 HA LEU 36 4.847 -9.443 3.473 296 1HB LEU 36 2HB LEU 36 2.042 -9.941 4.485 297 2HB LEU 36 1HB LEU 36 2.600 -10.219 2.847 298 HG LEU 36 HG LEU 36 3.573 -11.697 5.293 299 1HD1 LEU 36 1HD1 LEU 36 1.734 -12.555 3.062 300 2HD1 LEU 36 2HD1 LEU 36 1.271 -12.258 4.738 301 3HD1 LEU 36 3HD1 LEU 36 2.351 -13.594 4.345 302 1HD2 LEU 36 1HD2 LEU 36 5.291 -11.511 3.560 303 2HD2 LEU 36 2HD2 LEU 36 4.158 -12.137 2.365 304 3HD2 LEU 36 3HD2 LEU 36 4.694 -13.164 3.692 305 H ALA 37 H ALA 37 4.154 -8.117 1.809 306 HA ALA 37 HA ALA 37 2.676 -5.705 2.634 307 1HB ALA 37 1HB ALA 37 4.041 -4.414 1.094 308 2HB ALA 37 2HB ALA 37 4.935 -5.863 0.640 309 3HB ALA 37 3HB ALA 37 5.053 -5.230 2.284 310 H TYR 38 H TYR 38 1.036 -5.066 1.378 311 HA TYR 38 HA TYR 38 0.553 -6.532 -1.132 312 1HB TYR 38 2HB TYR 38 -1.440 -4.993 0.559 313 2HB TYR 38 1HB TYR 38 -1.805 -5.972 -0.858 314 HD1 TYR 38 1HD TYR 38 -1.487 -5.950 2.689 315 HD2 TYR 38 2HD TYR 38 -1.266 -8.491 -0.717 316 HE1 TYR 38 1HE TYR 38 -1.800 -7.910 4.140 317 HE2 TYR 38 2HE TYR 38 -1.576 -10.459 0.728 318 HH TYR 38 HH TYR 38 -1.248 -11.085 3.090 319 H ARG 39 H ARG 39 0.129 -5.371 -3.002 320 HA ARG 39 HA ARG 39 1.240 -2.683 -2.941 321 1HB ARG 39 2HB ARG 39 1.318 -2.920 -5.414 322 2HB ARG 39 1HB ARG 39 2.212 -4.168 -4.557 323 1HG ARG 39 2HG ARG 39 0.411 -5.752 -4.930 324 2HG ARG 39 1HG ARG 39 -0.547 -4.500 -5.724 325 1HD ARG 39 2HD ARG 39 1.112 -4.303 -7.481 326 2HD ARG 39 1HD ARG 39 2.147 -5.472 -6.664 327 HE ARG 39 HE ARG 39 -0.304 -6.719 -7.109 328 1HH1 ARG 39 1HH1 ARG 39 2.318 -5.350 -8.993 329 2HH1 ARG 39 2HH1 ARG 39 2.076 -6.416 -10.346 330 1HH2 ARG 39 1HH2 ARG 39 -0.613 -8.137 -8.852 331 2HH2 ARG 39 2HH2 ARG 39 0.407 -8.029 -10.261 332 H ILE 40 H ILE 40 0.240 -0.869 -3.655 333 HA ILE 40 HA ILE 40 -2.658 -1.048 -4.158 334 HB ILE 40 HB ILE 40 -1.014 1.340 -3.286 335 1HG1 ILE 40 2HG1 ILE 40 -2.983 -0.332 -1.708 336 2HG1 ILE 40 1HG1 ILE 40 -1.233 -0.396 -1.534 337 1HG2 ILE 40 1HG2 ILE 40 -3.151 2.457 -2.953 338 2HG2 ILE 40 2HG2 ILE 40 -3.999 1.033 -3.553 339 3HG2 ILE 40 3HG2 ILE 40 -2.956 1.956 -4.632 340 1HD1 ILE 40 1HD1 ILE 40 -1.227 1.931 -0.797 341 2HD1 ILE 40 2HD1 ILE 40 -2.246 0.920 0.232 342 3HD1 ILE 40 3HD1 ILE 40 -2.983 1.985 -0.964 343 H ASP 41 H ASP 41 -3.150 -0.934 -6.269 344 HA ASP 41 HA ASP 41 -1.158 0.208 -8.085 345 1HB ASP 41 2HB ASP 41 -2.068 -2.112 -8.460 346 2HB ASP 41 1HB ASP 41 -3.628 -1.378 -8.815 347 H ASP 42 H ASP 42 -1.396 2.311 -8.342 348 HA ASP 42 HA ASP 42 -2.211 4.292 -9.061 349 1HB ASP 42 2HB ASP 42 -2.892 2.843 -11.015 350 2HB ASP 42 1HB ASP 42 -4.495 2.742 -10.294 351 H GLY 43 H GLY 43 -3.262 2.966 -6.527 352 1HA GLY 43 2HA GLY 43 -4.370 4.340 -4.867 353 2HA GLY 43 1HA GLY 43 -5.454 4.900 -6.135 354 H ILE 44 H ILE 44 -5.130 1.739 -6.767 355 HA ILE 44 HA ILE 44 -7.457 1.020 -5.116 356 HB ILE 44 HB ILE 44 -6.492 -0.196 -7.717 357 1HG1 ILE 44 2HG1 ILE 44 -8.898 0.548 -8.388 358 2HG1 ILE 44 1HG1 ILE 44 -8.774 1.623 -7.002 359 1HG2 ILE 44 1HG2 ILE 44 -8.867 -0.959 -6.027 360 2HG2 ILE 44 2HG2 ILE 44 -7.406 -1.918 -6.261 361 3HG2 ILE 44 3HG2 ILE 44 -8.487 -1.611 -7.622 362 1HD1 ILE 44 1HD1 ILE 44 -8.207 2.729 -9.094 363 2HD1 ILE 44 2HD1 ILE 44 -6.893 1.579 -9.346 364 3HD1 ILE 44 3HD1 ILE 44 -6.841 2.695 -7.981 365 HA PRO 45 HA PRO 45 -4.364 -1.563 -3.079 366 1HB PRO 45 2HB PRO 45 -6.408 -1.944 -1.043 367 2HB PRO 45 1HB PRO 45 -4.856 -1.113 -0.915 368 1HG PRO 45 2HG PRO 45 -7.243 0.180 -0.819 369 2HG PRO 45 1HG PRO 45 -5.756 0.929 -1.431 370 1HD PRO 45 2HD PRO 45 -8.043 -0.263 -2.954 371 2HD PRO 45 1HD PRO 45 -7.119 1.218 -3.287 372 H VAL 46 H VAL 46 -4.201 -3.509 -4.035 373 HA VAL 46 HA VAL 46 -6.550 -5.211 -4.297 374 HB VAL 46 HB VAL 46 -3.716 -5.765 -5.206 375 1HG1 VAL 46 1HG1 VAL 46 -6.337 -7.033 -5.990 376 2HG1 VAL 46 2HG1 VAL 46 -5.089 -7.765 -4.983 377 3HG1 VAL 46 3HG1 VAL 46 -4.761 -7.417 -6.680 378 1HG2 VAL 46 1HG2 VAL 46 -6.027 -4.593 -6.750 379 2HG2 VAL 46 2HG2 VAL 46 -4.492 -5.101 -7.449 380 3HG2 VAL 46 3HG2 VAL 46 -4.540 -3.761 -6.303 381 H LEU 47 H LEU 47 -7.038 -6.061 -2.341 382 HA LEU 47 HA LEU 47 -4.881 -7.091 -0.668 383 1HB LEU 47 2HB LEU 47 -7.832 -6.797 -0.095 384 2HB LEU 47 1HB LEU 47 -6.623 -7.324 1.060 385 HG LEU 47 HG LEU 47 -6.818 -4.597 -0.210 386 1HD1 LEU 47 1HD1 LEU 47 -8.483 -5.016 1.523 387 2HD1 LEU 47 2HD1 LEU 47 -7.283 -3.840 2.060 388 3HD1 LEU 47 3HD1 LEU 47 -7.206 -5.506 2.636 389 1HD2 LEU 47 1HD2 LEU 47 -4.800 -5.701 1.739 390 2HD2 LEU 47 2HD2 LEU 47 -4.947 -4.006 1.273 391 3HD2 LEU 47 3HD2 LEU 47 -4.492 -5.215 0.071 392 H LEU 48 H LEU 48 -4.312 -8.929 -1.806 393 HA LEU 48 HA LEU 48 -6.176 -11.170 -1.463 394 1HB LEU 48 2HB LEU 48 -4.529 -10.609 -3.933 395 2HB LEU 48 1HB LEU 48 -5.365 -12.117 -3.625 396 HG LEU 48 HG LEU 48 -6.701 -9.430 -3.957 397 1HD1 LEU 48 1HD1 LEU 48 -6.530 -11.790 -5.827 398 2HD1 LEU 48 2HD1 LEU 48 -5.716 -10.239 -6.038 399 3HD1 LEU 48 3HD1 LEU 48 -7.478 -10.326 -6.092 400 1HD2 LEU 48 1HD2 LEU 48 -8.767 -10.752 -4.053 401 2HD2 LEU 48 2HD2 LEU 48 -7.960 -10.905 -2.495 402 3HD2 LEU 48 3HD2 LEU 48 -7.845 -12.206 -3.678 403 H ILE 49 H ILE 49 -5.130 -13.219 -1.216 404 HA ILE 49 HA ILE 49 -2.573 -13.055 0.100 405 HB ILE 49 HB ILE 49 -4.104 -15.546 -0.685 406 1HG1 ILE 49 2HG1 ILE 49 -4.267 -13.975 1.897 407 2HG1 ILE 49 1HG1 ILE 49 -5.502 -13.970 0.643 408 1HG2 ILE 49 1HG2 ILE 49 -2.905 -16.564 1.202 409 2HG2 ILE 49 2HG2 ILE 49 -2.036 -15.049 1.454 410 3HG2 ILE 49 3HG2 ILE 49 -1.798 -15.964 -0.035 411 1HD1 ILE 49 1HD1 ILE 49 -6.153 -15.424 2.439 412 2HD1 ILE 49 2HD1 ILE 49 -4.641 -16.321 2.308 413 3HD1 ILE 49 3HD1 ILE 49 -5.820 -16.387 1.000 414 H ASP 50 H ASP 50 -3.763 -13.623 -3.024 415 HA ASP 50 HA ASP 50 -1.538 -14.990 -4.156 416 1HB ASP 50 2HB ASP 50 -3.709 -15.062 -5.226 417 2HB ASP 50 1HB ASP 50 -3.745 -13.311 -5.364 418 H GLU 51 H GLU 51 -2.107 -11.786 -3.163 419 HA GLU 51 HA GLU 51 0.051 -10.694 -4.831 420 1HB GLU 51 2HB GLU 51 -2.068 -9.310 -3.172 421 2HB GLU 51 1HB GLU 51 -0.818 -8.485 -4.091 422 1HG GLU 51 2HG GLU 51 -2.759 -10.355 -5.391 423 2HG GLU 51 1HG GLU 51 -3.136 -8.654 -5.121 424 H ALA 52 H ALA 52 0.073 -12.330 -2.180 425 HA ALA 52 HA ALA 52 1.101 -10.467 -0.237 426 1HB ALA 52 1HB ALA 52 1.045 -13.482 -0.156 427 2HB ALA 52 2HB ALA 52 -0.216 -12.411 0.457 428 3HB ALA 52 3HB ALA 52 1.382 -12.408 1.203 429 H THR 53 H THR 53 3.057 -9.626 -0.508 430 HA THR 53 HA THR 53 5.248 -11.405 -1.348 431 HB THR 53 HB THR 53 6.456 -9.259 -1.917 432 HG1 THR 53 1HG THR 53 3.863 -8.208 -1.404 433 1HG2 THR 53 1HG2 THR 53 3.903 -9.844 -3.416 434 2HG2 THR 53 2HG2 THR 53 5.457 -10.642 -3.653 435 3HG2 THR 53 3HG2 THR 53 5.276 -8.934 -4.045 436 H GLU 54 H GLU 54 7.085 -11.526 -0.101 437 HA GLU 54 HA GLU 54 6.833 -10.770 2.658 438 1HB GLU 54 2HB GLU 54 7.893 -12.905 1.800 439 2HB GLU 54 1HB GLU 54 9.252 -11.933 1.262 440 1HG GLU 54 2HG GLU 54 9.762 -11.297 3.521 441 2HG GLU 54 1HG GLU 54 8.312 -12.108 4.114 442 H TRP 55 H TRP 55 7.827 -9.074 3.709 443 HA TRP 55 HA TRP 55 9.432 -7.271 2.031 444 1HB TRP 55 2HB TRP 55 7.064 -6.640 1.824 445 2HB TRP 55 1HB TRP 55 6.964 -6.459 3.571 446 HD1 TRP 55 HD TRP 55 7.682 -4.187 4.588 447 HE1 TRP 55 1HE TRP 55 8.542 -1.973 3.603 448 HE3 TRP 55 3HE TRP 55 8.594 -5.725 -0.203 449 HZ2 TRP 55 2HZ TRP 55 9.478 -1.000 1.119 450 HZ3 TRP 55 3HZ TRP 55 9.466 -4.090 -1.819 451 HH2 TRP 55 HH TRP 55 9.897 -1.778 -1.172 452 H THR 56 H THR 56 11.204 -6.724 3.039 453 HA THR 56 HA THR 56 12.553 -5.660 4.490 454 HB THR 56 HB THR 56 10.002 -5.162 5.990 455 HG1 THR 56 1HG THR 56 11.313 -4.002 3.904 456 1HG2 THR 56 1HG2 THR 56 11.258 -3.489 7.295 457 2HG2 THR 56 2HG2 THR 56 12.756 -4.049 6.551 458 3HG2 THR 56 3HG2 THR 56 11.836 -5.126 7.601 459 HA PRO 57 HA PRO 57 13.429 -8.800 7.573 460 1HB PRO 57 2HB PRO 57 16.056 -9.035 6.775 461 2HB PRO 57 1HB PRO 57 14.730 -10.010 6.141 462 1HG PRO 57 2HG PRO 57 16.293 -8.032 4.766 463 2HG PRO 57 1HG PRO 57 14.980 -9.032 4.126 464 1HD PRO 57 2HD PRO 57 14.924 -6.230 5.068 465 2HD PRO 57 1HD PRO 57 13.826 -7.068 3.952 466 H ASN 58 H ASN 58 13.618 -7.781 9.501 467 HA ASN 58 HA ASN 58 15.228 -5.388 9.772 468 1HB ASN 58 2HB ASN 58 12.954 -5.677 10.829 469 2HB ASN 58 1HB ASN 58 13.676 -6.858 11.914 470 1HD2 ASN 58 1HD2 ASN 58 15.195 -3.884 10.792 471 2HD2 ASN 58 2HD2 ASN 58 15.239 -3.120 12.344 472 H ASN 59 H ASN 59 16.955 -5.140 11.267 473 HA ASN 59 HA ASN 59 18.811 -7.227 11.408 474 1HB ASN 59 2HB ASN 59 18.588 -4.689 13.025 475 2HB ASN 59 1HB ASN 59 19.938 -5.805 13.185 476 1HD2 ASN 59 1HD2 ASN 59 18.527 -3.294 11.331 477 2HD2 ASN 59 2HD2 ASN 59 19.795 -3.155 10.160 478 H LEU 60 H LEU 60 18.542 -9.072 12.458 479 HA LEU 60 HA LEU 60 17.277 -9.055 15.100 480 1HB LEU 60 2HB LEU 60 18.029 -11.352 13.289 481 2HB LEU 60 1HB LEU 60 17.268 -11.524 14.860 482 HG LEU 60 HG LEU 60 16.048 -10.168 12.451 483 1HD1 LEU 60 1HD1 LEU 60 15.388 -12.787 13.789 484 2HD1 LEU 60 2HD1 LEU 60 16.186 -12.595 12.227 485 3HD1 LEU 60 3HD1 LEU 60 14.518 -12.059 12.440 486 1HD2 LEU 60 1HD2 LEU 60 14.016 -10.056 13.799 487 2HD2 LEU 60 2HD2 LEU 60 15.326 -9.139 14.541 488 3HD2 LEU 60 3HD2 LEU 60 14.887 -10.724 15.180 489 H GLU 61 H GLU 61 18.350 -10.827 16.598 490 HA GLU 61 HA GLU 61 21.083 -9.887 16.945 491 1HB GLU 61 2HB GLU 61 19.440 -9.800 18.821 492 2HB GLU 61 1HB GLU 61 19.392 -11.557 18.815 493 1HG GLU 61 2HG GLU 61 20.850 -10.681 20.567 494 2HG GLU 61 1HG GLU 61 21.734 -11.656 19.395 Start of MODEL 5 1 1H MET 1 1HT MET 1 -1.813 21.992 1.615 2 2H MET 1 2HT MET 1 -0.180 21.823 2.051 3 3H MET 1 3HT MET 1 -1.401 21.396 3.151 4 HA MET 1 HA MET 1 -0.897 20.066 0.555 5 1HB MET 1 2HB MET 1 0.880 19.597 2.190 6 2HB MET 1 1HB MET 1 -0.326 19.148 3.387 7 1HG MET 1 2HG MET 1 -0.980 17.235 2.091 8 2HG MET 1 1HG MET 1 0.081 17.721 0.769 9 1HE MET 1 1HE MET 1 3.629 17.225 2.322 10 2HE MET 1 2HE MET 1 2.671 18.705 2.312 11 3HE MET 1 3HE MET 1 2.712 17.673 0.884 12 H SER 2 H SER 2 -2.825 19.535 -0.210 13 HA SER 2 HA SER 2 -5.103 19.288 1.519 14 1HB SER 2 2HB SER 2 -4.854 18.808 -1.461 15 2HB SER 2 1HB SER 2 -6.363 18.997 -0.561 16 HG SER 2 HG SER 2 -5.958 20.994 -1.344 17 H LEU 3 H LEU 3 -4.868 17.498 2.805 18 HA LEU 3 HA LEU 3 -4.387 14.898 1.637 19 1HB LEU 3 2HB LEU 3 -3.563 15.441 3.903 20 2HB LEU 3 1HB LEU 3 -5.218 15.639 4.447 21 HG LEU 3 HG LEU 3 -5.649 13.257 3.971 22 1HD1 LEU 3 1HD1 LEU 3 -2.705 13.163 3.322 23 2HD1 LEU 3 2HD1 LEU 3 -4.033 12.913 2.188 24 3HD1 LEU 3 3HD1 LEU 3 -3.762 11.763 3.497 25 1HD2 LEU 3 1HD2 LEU 3 -4.990 13.923 6.202 26 2HD2 LEU 3 2HD2 LEU 3 -3.287 13.793 5.760 27 3HD2 LEU 3 3HD2 LEU 3 -4.298 12.349 5.806 28 H ASP 4 H ASP 4 -5.893 13.610 0.852 29 HA ASP 4 HA ASP 4 -8.706 14.239 1.425 30 1HB ASP 4 2HB ASP 4 -7.777 14.809 -0.929 31 2HB ASP 4 1HB ASP 4 -7.841 13.069 -1.200 32 HA PRO 5 HA PRO 5 -8.019 10.086 3.151 33 1HB PRO 5 2HB PRO 5 -10.771 10.643 4.111 34 2HB PRO 5 1HB PRO 5 -9.350 10.092 5.004 35 1HG PRO 5 2HG PRO 5 -10.180 12.599 5.232 36 2HG PRO 5 1HG PRO 5 -8.447 12.228 5.146 37 1HD PRO 5 2HD PRO 5 -10.265 13.286 3.013 38 2HD PRO 5 1HD PRO 5 -8.596 13.751 3.403 39 H GLN 6 H GLN 6 -9.818 10.826 0.490 40 HA GLN 6 HA GLN 6 -11.455 8.488 0.324 41 1HB GLN 6 2HB GLN 6 -10.267 10.275 -1.801 42 2HB GLN 6 1HB GLN 6 -11.299 8.904 -2.173 43 1HG GLN 6 2HG GLN 6 -13.119 9.918 -0.910 44 2HG GLN 6 1HG GLN 6 -12.082 11.295 -0.524 45 1HE2 GLN 6 1HE2 GLN 6 -11.500 12.734 -2.170 46 2HE2 GLN 6 2HE2 GLN 6 -12.427 12.845 -3.636 47 H LEU 7 H LEU 7 -8.115 9.109 0.135 48 HA LEU 7 HA LEU 7 -7.480 6.644 -1.275 49 1HB LEU 7 2HB LEU 7 -5.676 8.688 0.030 50 2HB LEU 7 1HB LEU 7 -5.141 7.342 -0.957 51 HG LEU 7 HG LEU 7 -6.833 9.645 -1.937 52 1HD1 LEU 7 1HD1 LEU 7 -3.914 9.030 -2.377 53 2HD1 LEU 7 2HD1 LEU 7 -4.560 10.333 -1.380 54 3HD1 LEU 7 3HD1 LEU 7 -4.821 10.346 -3.124 55 1HD2 LEU 7 1HD2 LEU 7 -7.265 7.571 -3.158 56 2HD2 LEU 7 2HD2 LEU 7 -5.534 7.365 -3.434 57 3HD2 LEU 7 3HD2 LEU 7 -6.388 8.726 -4.163 58 H LEU 8 H LEU 8 -8.584 7.211 1.668 59 HA LEU 8 HA LEU 8 -6.860 5.194 2.947 60 1HB LEU 8 2HB LEU 8 -8.270 7.531 4.242 61 2HB LEU 8 1HB LEU 8 -7.425 6.267 5.112 62 HG LEU 8 HG LEU 8 -6.137 8.205 3.187 63 1HD1 LEU 8 1HD1 LEU 8 -5.118 9.171 5.193 64 2HD1 LEU 8 2HD1 LEU 8 -6.081 8.084 6.196 65 3HD1 LEU 8 3HD1 LEU 8 -6.875 9.313 5.214 66 1HD2 LEU 8 1HD2 LEU 8 -4.988 6.063 3.240 67 2HD2 LEU 8 2HD2 LEU 8 -4.940 6.114 5.001 68 3HD2 LEU 8 3HD2 LEU 8 -4.032 7.295 4.060 69 H GLU 9 H GLU 9 -7.855 3.494 3.871 70 HA GLU 9 HA GLU 9 -10.673 3.533 4.482 71 1HB GLU 9 2HB GLU 9 -10.528 3.037 2.005 72 2HB GLU 9 1HB GLU 9 -9.640 1.577 2.414 73 1HG GLU 9 2HG GLU 9 -11.596 0.825 3.740 74 2HG GLU 9 1HG GLU 9 -12.478 2.238 3.163 75 H VAL 10 H VAL 10 -11.283 1.683 5.753 76 HA VAL 10 HA VAL 10 -9.181 0.530 7.283 77 HB VAL 10 HB VAL 10 -12.041 -0.426 7.092 78 1HG1 VAL 10 1HG1 VAL 10 -9.963 -0.779 9.257 79 2HG1 VAL 10 2HG1 VAL 10 -10.556 -2.034 8.164 80 3HG1 VAL 10 3HG1 VAL 10 -11.643 -1.308 9.350 81 1HG2 VAL 10 1HG2 VAL 10 -11.969 1.951 7.640 82 2HG2 VAL 10 2HG2 VAL 10 -10.846 1.620 8.960 83 3HG2 VAL 10 3HG2 VAL 10 -12.493 0.994 9.024 84 H LEU 11 H LEU 11 -7.778 -0.575 6.011 85 HA LEU 11 HA LEU 11 -8.820 -2.656 4.238 86 1HB LEU 11 2HB LEU 11 -6.060 -1.435 4.401 87 2HB LEU 11 1HB LEU 11 -6.578 -2.629 3.226 88 HG LEU 11 HG LEU 11 -7.733 0.156 3.473 89 1HD1 LEU 11 1HD1 LEU 11 -5.418 0.196 2.700 90 2HD1 LEU 11 2HD1 LEU 11 -6.540 0.639 1.414 91 3HD1 LEU 11 3HD1 LEU 11 -5.816 -0.970 1.438 92 1HD2 LEU 11 1HD2 LEU 11 -8.789 -0.368 1.325 93 2HD2 LEU 11 2HD2 LEU 11 -9.325 -1.458 2.603 94 3HD2 LEU 11 3HD2 LEU 11 -8.145 -2.008 1.414 95 H ALA 12 H ALA 12 -8.394 -4.761 4.523 96 HA ALA 12 HA ALA 12 -6.628 -5.538 6.739 97 1HB ALA 12 1HB ALA 12 -8.950 -5.494 7.542 98 2HB ALA 12 2HB ALA 12 -8.276 -7.121 7.549 99 3HB ALA 12 3HB ALA 12 -9.399 -6.639 6.279 100 H CYS 13 H CYS 13 -5.845 -7.707 6.626 101 HA CYS 13 HA CYS 13 -5.219 -8.572 3.981 102 1HB CYS 13 2HB CYS 13 -4.804 -10.085 6.564 103 2HB CYS 13 1HB CYS 13 -3.934 -10.307 5.051 104 HG CYS 13 HG CYS 13 -2.398 -8.119 5.198 105 HA PRO 14 HA PRO 14 -8.605 -11.387 3.301 106 1HB PRO 14 2HB PRO 14 -7.470 -13.030 1.472 107 2HB PRO 14 1HB PRO 14 -7.980 -11.381 1.094 108 1HG PRO 14 2HG PRO 14 -5.241 -12.409 1.738 109 2HG PRO 14 1HG PRO 14 -5.740 -11.271 0.474 110 1HD PRO 14 2HD PRO 14 -4.646 -10.449 2.802 111 2HD PRO 14 1HD PRO 14 -5.865 -9.496 1.932 112 H LYS 15 H LYS 15 -6.252 -12.041 5.289 113 HA LYS 15 HA LYS 15 -7.181 -14.771 5.785 114 1HB LYS 15 2HB LYS 15 -4.931 -14.952 4.767 115 2HB LYS 15 1HB LYS 15 -4.290 -13.884 6.011 116 1HG LYS 15 2HG LYS 15 -5.191 -15.614 7.677 117 2HG LYS 15 1HG LYS 15 -5.303 -16.688 6.284 118 1HD LYS 15 2HD LYS 15 -2.779 -15.273 7.121 119 2HD LYS 15 1HD LYS 15 -3.204 -16.908 7.626 120 1HE LYS 15 2HE LYS 15 -3.361 -17.491 5.172 121 2HE LYS 15 1HE LYS 15 -2.632 -15.917 4.844 122 1HZ LYS 15 1HZ LYS 15 -0.706 -16.546 6.107 123 2HZ LYS 15 2HZ LYS 15 -1.000 -17.735 4.935 124 3HZ LYS 15 3HZ LYS 15 -1.418 -18.019 6.551 125 H ASP 16 H ASP 16 -5.002 -12.356 7.196 126 HA ASP 16 HA ASP 16 -5.718 -12.973 9.868 127 1HB ASP 16 2HB ASP 16 -3.513 -12.129 9.380 128 2HB ASP 16 1HB ASP 16 -4.182 -10.662 8.670 129 H LYS 17 H LYS 17 -6.705 -10.469 7.588 130 HA LYS 17 HA LYS 17 -8.362 -8.928 7.602 131 1HB LYS 17 2HB LYS 17 -9.465 -10.823 9.668 132 2HB LYS 17 1HB LYS 17 -10.344 -9.403 9.115 133 1HG LYS 17 2HG LYS 17 -10.405 -10.231 6.876 134 2HG LYS 17 1HG LYS 17 -9.336 -11.570 7.294 135 1HD LYS 17 2HD LYS 17 -11.626 -12.331 7.144 136 2HD LYS 17 1HD LYS 17 -11.056 -12.453 8.806 137 1HE LYS 17 2HE LYS 17 -13.287 -11.591 8.847 138 2HE LYS 17 1HE LYS 17 -12.189 -10.282 9.278 139 1HZ LYS 17 1HZ LYS 17 -13.205 -10.670 6.516 140 2HZ LYS 17 2HZ LYS 17 -12.442 -9.298 7.163 141 3HZ LYS 17 3HZ LYS 17 -14.009 -9.713 7.658 142 H GLY 18 H GLY 18 -6.024 -8.778 9.528 143 1HA GLY 18 2HA GLY 18 -7.136 -7.044 11.602 144 2HA GLY 18 1HA GLY 18 -5.481 -7.628 11.515 145 HA PRO 19 HA PRO 19 -5.699 -3.214 10.071 146 1HB PRO 19 2HB PRO 19 -3.842 -2.190 11.741 147 2HB PRO 19 1HB PRO 19 -5.531 -2.408 12.213 148 1HG PRO 19 2HG PRO 19 -3.149 -4.089 12.855 149 2HG PRO 19 1HG PRO 19 -4.517 -3.643 13.888 150 1HD PRO 19 2HD PRO 19 -4.267 -6.066 12.618 151 2HD PRO 19 1HD PRO 19 -5.814 -5.354 13.106 152 H LEU 20 H LEU 20 -4.562 -2.533 8.402 153 HA LEU 20 HA LEU 20 -1.857 -3.575 7.956 154 1HB LEU 20 2HB LEU 20 -3.904 -2.335 6.124 155 2HB LEU 20 1HB LEU 20 -2.239 -2.579 5.633 156 HG LEU 20 HG LEU 20 -4.085 -4.798 6.508 157 1HD1 LEU 20 1HD1 LEU 20 -4.892 -3.782 4.449 158 2HD1 LEU 20 2HD1 LEU 20 -4.215 -5.380 4.141 159 3HD1 LEU 20 3HD1 LEU 20 -3.288 -3.937 3.730 160 1HD2 LEU 20 1HD2 LEU 20 -1.731 -5.280 6.849 161 2HD2 LEU 20 2HD2 LEU 20 -1.379 -4.823 5.181 162 3HD2 LEU 20 3HD2 LEU 20 -2.377 -6.239 5.516 163 H ARG 21 H ARG 21 -0.105 -2.238 7.860 164 HA ARG 21 HA ARG 21 -0.489 0.534 8.629 165 1HB ARG 21 2HB ARG 21 1.981 -1.137 8.178 166 2HB ARG 21 1HB ARG 21 2.059 0.591 8.482 167 1HG ARG 21 2HG ARG 21 0.706 0.068 10.604 168 2HG ARG 21 1HG ARG 21 1.187 -1.605 10.317 169 1HD ARG 21 2HD ARG 21 3.145 0.681 10.483 170 2HD ARG 21 1HD ARG 21 2.673 -0.292 11.873 171 HE ARG 21 HE ARG 21 3.728 -2.185 10.839 172 1HH1 ARG 21 1HH1 ARG 21 4.364 0.895 9.257 173 2HH1 ARG 21 2HH1 ARG 21 5.857 0.347 8.557 174 1HH2 ARG 21 1HH2 ARG 21 5.693 -2.869 9.945 175 2HH2 ARG 21 2HH2 ARG 21 6.606 -1.790 8.916 176 H TYR 22 H TYR 22 -0.597 2.167 7.260 177 HA TYR 22 HA TYR 22 -0.134 1.644 4.433 178 1HB TYR 22 2HB TYR 22 -2.217 2.735 4.938 179 2HB TYR 22 1HB TYR 22 -1.397 3.971 5.886 180 HD1 TYR 22 1HD TYR 22 -1.406 2.592 2.407 181 HD2 TYR 22 2HD TYR 22 -1.013 6.024 4.891 182 HE1 TYR 22 1HE TYR 22 -1.236 4.016 0.406 183 HE2 TYR 22 2HE TYR 22 -0.844 7.456 2.900 184 HH TYR 22 HH TYR 22 -1.545 6.315 -0.261 185 H LEU 23 H LEU 23 1.942 1.784 3.892 186 HA LEU 23 HA LEU 23 3.636 3.869 4.968 187 1HB LEU 23 2HB LEU 23 4.081 1.713 2.908 188 2HB LEU 23 1HB LEU 23 5.277 2.947 3.239 189 HG LEU 23 HG LEU 23 5.914 1.001 4.439 190 1HD1 LEU 23 1HD1 LEU 23 6.216 3.107 5.631 191 2HD1 LEU 23 2HD1 LEU 23 5.922 1.767 6.739 192 3HD1 LEU 23 3HD1 LEU 23 4.630 2.912 6.381 193 1HD2 LEU 23 1HD2 LEU 23 3.814 -0.194 4.454 194 2HD2 LEU 23 2HD2 LEU 23 3.133 0.960 5.600 195 3HD2 LEU 23 3HD2 LEU 23 4.463 -0.089 6.091 196 H GLU 24 H GLU 24 3.387 5.864 4.268 197 HA GLU 24 HA GLU 24 2.021 6.444 1.818 198 1HB GLU 24 2HB GLU 24 2.204 8.758 2.454 199 2HB GLU 24 1HB GLU 24 1.768 7.818 3.867 200 1HG GLU 24 2HG GLU 24 4.520 8.871 3.234 201 2HG GLU 24 1HG GLU 24 3.389 9.570 4.389 202 H SER 25 H SER 25 5.301 6.615 2.969 203 HA SER 25 HA SER 25 6.374 7.938 0.703 204 1HB SER 25 2HB SER 25 7.805 6.162 2.688 205 2HB SER 25 1HB SER 25 8.530 7.404 1.665 206 HG SER 25 HG SER 25 6.784 7.724 3.874 207 H GLU 26 H GLU 26 5.781 4.559 1.435 208 HA GLU 26 HA GLU 26 7.325 3.745 -0.934 209 1HB GLU 26 2HB GLU 26 6.365 2.096 1.412 210 2HB GLU 26 1HB GLU 26 7.336 1.501 0.072 211 1HG GLU 26 2HG GLU 26 9.188 2.867 0.709 212 2HG GLU 26 1HG GLU 26 8.218 3.707 1.917 213 H GLN 27 H GLN 27 4.154 4.081 0.240 214 HA GLN 27 HA GLN 27 2.103 3.633 -0.580 215 1HB GLN 27 2HB GLN 27 3.727 3.414 -3.099 216 2HB GLN 27 1HB GLN 27 1.978 3.221 -3.100 217 1HG GLN 27 2HG GLN 27 3.486 5.650 -2.157 218 2HG GLN 27 1HG GLN 27 2.618 5.493 -3.685 219 1HE2 GLN 27 1HE2 GLN 27 2.249 7.322 -1.380 220 2HE2 GLN 27 2HE2 GLN 27 0.596 7.129 -0.906 221 H LEU 28 H LEU 28 3.041 1.589 0.818 222 HA LEU 28 HA LEU 28 1.872 -0.719 -0.559 223 1HB LEU 28 2HB LEU 28 4.422 -0.726 1.065 224 2HB LEU 28 1HB LEU 28 3.554 -2.179 0.612 225 HG LEU 28 HG LEU 28 4.764 -0.222 -1.347 226 1HD1 LEU 28 1HD1 LEU 28 6.442 -1.960 -1.727 227 2HD1 LEU 28 2HD1 LEU 28 5.734 -2.929 -0.436 228 3HD1 LEU 28 3HD1 LEU 28 6.487 -1.379 -0.064 229 1HD2 LEU 28 1HD2 LEU 28 3.540 -2.951 -1.744 230 2HD2 LEU 28 2HD2 LEU 28 4.320 -1.981 -2.991 231 3HD2 LEU 28 3HD2 LEU 28 2.830 -1.415 -2.238 232 H LEU 29 H LEU 29 0.977 -2.302 0.906 233 HA LEU 29 HA LEU 29 0.203 -1.130 3.502 234 1HB LEU 29 2HB LEU 29 -1.199 -3.240 1.856 235 2HB LEU 29 1HB LEU 29 -1.781 -2.560 3.361 236 HG LEU 29 HG LEU 29 -1.381 -0.950 0.842 237 1HD1 LEU 29 1HD1 LEU 29 -3.086 -2.652 0.499 238 2HD1 LEU 29 2HD1 LEU 29 -3.809 -1.047 0.605 239 3HD1 LEU 29 3HD1 LEU 29 -3.901 -2.151 1.981 240 1HD2 LEU 29 1HD2 LEU 29 -2.829 -0.349 3.421 241 2HD2 LEU 29 2HD2 LEU 29 -2.747 0.705 2.007 242 3HD2 LEU 29 3HD2 LEU 29 -1.283 0.336 2.920 243 H VAL 30 H VAL 30 1.329 -2.021 5.137 244 HA VAL 30 HA VAL 30 2.244 -4.811 4.810 245 HB VAL 30 HB VAL 30 3.547 -2.634 6.454 246 1HG1 VAL 30 1HG1 VAL 30 3.964 -4.865 7.332 247 2HG1 VAL 30 2HG1 VAL 30 5.431 -4.193 6.623 248 3HG1 VAL 30 3HG1 VAL 30 4.503 -5.407 5.745 249 1HG2 VAL 30 1HG2 VAL 30 5.310 -2.654 4.726 250 2HG2 VAL 30 2HG2 VAL 30 3.753 -2.102 4.109 251 3HG2 VAL 30 3HG2 VAL 30 4.313 -3.734 3.752 252 H ASN 31 H ASN 31 1.485 -6.260 6.200 253 HA ASN 31 HA ASN 31 0.203 -5.352 8.667 254 1HB ASN 31 2HB ASN 31 -0.938 -7.073 7.251 255 2HB ASN 31 1HB ASN 31 0.402 -8.167 7.564 256 1HD2 ASN 31 1HD2 ASN 31 -2.475 -8.345 8.209 257 2HD2 ASN 31 2HD2 ASN 31 -2.565 -8.609 9.920 258 H GLU 32 H GLU 32 1.319 -5.231 10.451 259 HA GLU 32 HA GLU 32 4.052 -5.847 10.607 260 1HB GLU 32 2HB GLU 32 2.812 -4.082 11.897 261 2HB GLU 32 1HB GLU 32 2.153 -5.358 12.908 262 1HG GLU 32 2HG GLU 32 4.009 -4.312 14.020 263 2HG GLU 32 1HG GLU 32 4.426 -5.970 13.590 264 H ARG 33 H ARG 33 1.229 -7.729 11.354 265 HA ARG 33 HA ARG 33 2.711 -9.568 13.056 266 1HB ARG 33 2HB ARG 33 -0.171 -9.723 12.166 267 2HB ARG 33 1HB ARG 33 0.584 -10.657 13.451 268 1HG ARG 33 2HG ARG 33 1.064 -8.435 14.574 269 2HG ARG 33 1HG ARG 33 -0.053 -7.726 13.408 270 1HD ARG 33 2HD ARG 33 -0.681 -9.928 15.373 271 2HD ARG 33 1HD ARG 33 -1.175 -8.244 15.510 272 HE ARG 33 HE ARG 33 -2.061 -9.749 13.162 273 1HH1 ARG 33 1HH1 ARG 33 -2.796 -8.231 16.227 274 2HH1 ARG 33 2HH1 ARG 33 -4.521 -8.350 16.023 275 1HH2 ARG 33 1HH2 ARG 33 -4.331 -9.964 12.895 276 2HH2 ARG 33 2HH2 ARG 33 -5.390 -9.367 14.147 277 H LEU 34 H LEU 34 2.175 -9.205 9.764 278 HA LEU 34 HA LEU 34 2.487 -12.107 9.317 279 1HB LEU 34 2HB LEU 34 1.202 -10.057 7.511 280 2HB LEU 34 1HB LEU 34 1.484 -11.732 7.076 281 HG LEU 34 HG LEU 34 -0.328 -10.755 9.280 282 1HD1 LEU 34 1HD1 LEU 34 -1.221 -10.336 7.063 283 2HD1 LEU 34 2HD1 LEU 34 -2.119 -11.621 7.869 284 3HD1 LEU 34 3HD1 LEU 34 -0.943 -12.018 6.616 285 1HD2 LEU 34 1HD2 LEU 34 0.229 -13.560 8.313 286 2HD2 LEU 34 2HD2 LEU 34 -1.023 -13.097 9.469 287 3HD2 LEU 34 3HD2 LEU 34 0.679 -12.881 9.882 288 H ASN 35 H ASN 35 3.853 -9.000 8.818 289 HA ASN 35 HA ASN 35 5.761 -8.254 7.839 290 1HB ASN 35 2HB ASN 35 6.424 -11.202 7.772 291 2HB ASN 35 1HB ASN 35 7.552 -9.934 7.311 292 1HD2 ASN 35 1HD2 ASN 35 8.438 -8.609 8.884 293 2HD2 ASN 35 2HD2 ASN 35 8.354 -9.011 10.567 294 H LEU 36 H LEU 36 3.366 -9.021 6.280 295 HA LEU 36 HA LEU 36 4.632 -9.299 3.641 296 1HB LEU 36 2HB LEU 36 1.889 -10.198 4.526 297 2HB LEU 36 1HB LEU 36 2.453 -10.224 2.867 298 HG LEU 36 HG LEU 36 3.645 -11.817 5.140 299 1HD1 LEU 36 1HD1 LEU 36 1.955 -12.712 2.810 300 2HD1 LEU 36 2HD1 LEU 36 1.413 -12.588 4.484 301 3HD1 LEU 36 3HD1 LEU 36 2.668 -13.747 4.049 302 1HD2 LEU 36 1HD2 LEU 36 4.918 -12.945 3.381 303 2HD2 LEU 36 2HD2 LEU 36 5.307 -11.227 3.468 304 3HD2 LEU 36 3HD2 LEU 36 4.256 -11.829 2.185 305 H ALA 37 H ALA 37 3.856 -8.020 1.969 306 HA ALA 37 HA ALA 37 2.209 -5.726 2.823 307 1HB ALA 37 1HB ALA 37 4.520 -5.666 0.886 308 2HB ALA 37 2HB ALA 37 4.583 -5.106 2.555 309 3HB ALA 37 3HB ALA 37 3.541 -4.289 1.387 310 H TYR 38 H TYR 38 0.581 -5.155 1.525 311 HA TYR 38 HA TYR 38 0.139 -6.756 -0.888 312 1HB TYR 38 2HB TYR 38 -1.768 -5.077 0.754 313 2HB TYR 38 1HB TYR 38 -2.210 -5.939 -0.719 314 HD1 TYR 38 1HD TYR 38 -1.428 -6.258 2.827 315 HD2 TYR 38 2HD TYR 38 -2.265 -8.396 -0.755 316 HE1 TYR 38 1HE TYR 38 -1.832 -8.296 4.144 317 HE2 TYR 38 2HE TYR 38 -2.673 -10.437 0.553 318 HH TYR 38 HH TYR 38 -2.007 -11.366 2.764 319 H ARG 39 H ARG 39 -0.539 -5.759 -2.836 320 HA ARG 39 HA ARG 39 1.026 -3.389 -3.314 321 1HB ARG 39 2HB ARG 39 -0.606 -5.078 -5.213 322 2HB ARG 39 1HB ARG 39 0.495 -3.792 -5.685 323 1HG ARG 39 2HG ARG 39 2.372 -5.059 -4.774 324 2HG ARG 39 1HG ARG 39 1.266 -6.353 -4.297 325 1HD ARG 39 2HD ARG 39 0.634 -6.677 -6.635 326 2HD ARG 39 1HD ARG 39 1.718 -5.371 -7.114 327 HE ARG 39 HE ARG 39 2.742 -7.794 -5.792 328 1HH1 ARG 39 1HH1 ARG 39 2.757 -5.506 -8.454 329 2HH1 ARG 39 2HH1 ARG 39 4.124 -6.240 -9.235 330 1HH2 ARG 39 1HH2 ARG 39 4.542 -8.751 -6.806 331 2HH2 ARG 39 2HH2 ARG 39 5.140 -8.087 -8.299 332 H ILE 40 H ILE 40 0.308 -1.389 -3.761 333 HA ILE 40 HA ILE 40 -2.580 -0.983 -4.067 334 HB ILE 40 HB ILE 40 -0.395 1.063 -3.596 335 1HG1 ILE 40 2HG1 ILE 40 -2.553 0.064 -1.718 336 2HG1 ILE 40 1HG1 ILE 40 -0.862 -0.417 -1.645 337 1HG2 ILE 40 1HG2 ILE 40 -3.397 1.391 -3.675 338 2HG2 ILE 40 2HG2 ILE 40 -2.253 1.971 -4.889 339 3HG2 ILE 40 3HG2 ILE 40 -2.230 2.650 -3.260 340 1HD1 ILE 40 1HD1 ILE 40 -1.401 1.275 0.019 341 2HD1 ILE 40 2HD1 ILE 40 -1.908 2.376 -1.265 342 3HD1 ILE 40 3HD1 ILE 40 -0.220 1.875 -1.149 343 H ASP 41 H ASP 41 -3.240 -0.992 -6.117 344 HA ASP 41 HA ASP 41 -1.225 -0.501 -8.194 345 1HB ASP 41 2HB ASP 41 -2.271 -2.744 -8.125 346 2HB ASP 41 1HB ASP 41 -3.845 -2.000 -8.380 347 H ASP 42 H ASP 42 -1.313 1.611 -8.590 348 HA ASP 42 HA ASP 42 -2.014 3.618 -9.383 349 1HB ASP 42 2HB ASP 42 -2.508 2.036 -11.318 350 2HB ASP 42 1HB ASP 42 -4.194 2.096 -10.814 351 H GLY 43 H GLY 43 -3.168 2.705 -6.867 352 1HA GLY 43 2HA GLY 43 -4.440 4.256 -5.514 353 2HA GLY 43 1HA GLY 43 -5.499 4.508 -6.893 354 H ILE 44 H ILE 44 -5.187 1.367 -7.137 355 HA ILE 44 HA ILE 44 -7.402 0.827 -5.268 356 HB ILE 44 HB ILE 44 -6.680 -0.634 -7.821 357 1HG1 ILE 44 2HG1 ILE 44 -9.002 1.199 -7.182 358 2HG1 ILE 44 1HG1 ILE 44 -7.629 1.613 -8.201 359 1HG2 ILE 44 1HG2 ILE 44 -9.006 -1.014 -5.940 360 2HG2 ILE 44 2HG2 ILE 44 -7.662 -2.132 -6.173 361 3HG2 ILE 44 3HG2 ILE 44 -8.796 -1.831 -7.490 362 1HD1 ILE 44 1HD1 ILE 44 -9.663 -0.527 -8.759 363 2HD1 ILE 44 2HD1 ILE 44 -8.289 -0.120 -9.784 364 3HD1 ILE 44 3HD1 ILE 44 -9.577 1.057 -9.529 365 HA PRO 45 HA PRO 45 -4.347 -1.708 -3.179 366 1HB PRO 45 2HB PRO 45 -5.940 -2.413 -1.100 367 2HB PRO 45 1HB PRO 45 -5.165 -0.830 -1.218 368 1HG PRO 45 2HG PRO 45 -7.977 -1.618 -1.869 369 2HG PRO 45 1HG PRO 45 -7.388 -0.177 -1.021 370 1HD PRO 45 2HD PRO 45 -8.116 -0.159 -3.642 371 2HD PRO 45 1HD PRO 45 -6.861 0.913 -2.980 372 H VAL 46 H VAL 46 -3.891 -3.668 -3.931 373 HA VAL 46 HA VAL 46 -6.046 -5.537 -4.564 374 HB VAL 46 HB VAL 46 -3.081 -5.831 -5.082 375 1HG1 VAL 46 1HG1 VAL 46 -4.272 -7.953 -5.026 376 2HG1 VAL 46 2HG1 VAL 46 -3.771 -7.566 -6.673 377 3HG1 VAL 46 3HG1 VAL 46 -5.451 -7.336 -6.183 378 1HG2 VAL 46 1HG2 VAL 46 -5.278 -4.865 -6.912 379 2HG2 VAL 46 2HG2 VAL 46 -3.624 -5.217 -7.409 380 3HG2 VAL 46 3HG2 VAL 46 -3.944 -3.905 -6.279 381 H LEU 47 H LEU 47 -6.727 -6.478 -2.720 382 HA LEU 47 HA LEU 47 -4.759 -7.380 -0.773 383 1HB LEU 47 2HB LEU 47 -7.774 -7.339 -0.628 384 2HB LEU 47 1HB LEU 47 -6.701 -7.796 0.682 385 HG LEU 47 HG LEU 47 -6.808 -5.055 -0.583 386 1HD1 LEU 47 1HD1 LEU 47 -8.847 -5.548 0.652 387 2HD1 LEU 47 2HD1 LEU 47 -7.863 -4.364 1.514 388 3HD1 LEU 47 3HD1 LEU 47 -7.893 -6.043 2.049 389 1HD2 LEU 47 1HD2 LEU 47 -5.424 -4.396 1.330 390 2HD2 LEU 47 2HD2 LEU 47 -4.612 -5.588 0.315 391 3HD2 LEU 47 3HD2 LEU 47 -5.343 -6.080 1.844 392 H LEU 48 H LEU 48 -3.977 -9.040 -2.253 393 HA LEU 48 HA LEU 48 -5.505 -11.518 -1.858 394 1HB LEU 48 2HB LEU 48 -4.070 -10.701 -4.391 395 2HB LEU 48 1HB LEU 48 -4.666 -12.318 -4.075 396 HG LEU 48 HG LEU 48 -6.400 -9.854 -4.260 397 1HD1 LEU 48 1HD1 LEU 48 -5.409 -10.385 -6.414 398 2HD1 LEU 48 2HD1 LEU 48 -7.129 -10.776 -6.405 399 3HD1 LEU 48 3HD1 LEU 48 -5.928 -12.062 -6.257 400 1HD2 LEU 48 1HD2 LEU 48 -7.347 -11.578 -2.829 401 2HD2 LEU 48 2HD2 LEU 48 -7.105 -12.780 -4.097 402 3HD2 LEU 48 3HD2 LEU 48 -8.243 -11.455 -4.339 403 H ILE 49 H ILE 49 -4.231 -13.353 -1.467 404 HA ILE 49 HA ILE 49 -1.872 -12.741 -0.005 405 HB ILE 49 HB ILE 49 -2.924 -15.463 -0.799 406 1HG1 ILE 49 2HG1 ILE 49 -3.399 -13.857 1.723 407 2HG1 ILE 49 1HG1 ILE 49 -4.572 -14.068 0.428 408 1HG2 ILE 49 1HG2 ILE 49 -0.598 -15.518 -0.055 409 2HG2 ILE 49 2HG2 ILE 49 -1.658 -16.276 1.133 410 3HG2 ILE 49 3HG2 ILE 49 -1.040 -14.648 1.413 411 1HD1 ILE 49 1HD1 ILE 49 -5.074 -15.550 2.264 412 2HD1 ILE 49 2HD1 ILE 49 -3.447 -16.225 2.198 413 3HD1 ILE 49 3HD1 ILE 49 -4.567 -16.491 0.861 414 H ASP 50 H ASP 50 -2.422 -14.314 -3.139 415 HA ASP 50 HA ASP 50 0.366 -14.968 -3.469 416 1HB ASP 50 2HB ASP 50 -1.943 -15.086 -5.419 417 2HB ASP 50 1HB ASP 50 -0.316 -15.661 -5.764 418 H GLU 51 H GLU 51 -1.554 -12.226 -4.006 419 HA GLU 51 HA GLU 51 0.171 -11.131 -6.081 420 1HB GLU 51 2HB GLU 51 -2.189 -9.893 -4.654 421 2HB GLU 51 1HB GLU 51 -1.365 -9.219 -6.053 422 1HG GLU 51 2HG GLU 51 -2.904 -11.802 -5.983 423 2HG GLU 51 1HG GLU 51 -3.462 -10.276 -6.663 424 H ALA 52 H ALA 52 0.216 -11.409 -2.794 425 HA ALA 52 HA ALA 52 1.111 -8.765 -2.103 426 1HB ALA 52 1HB ALA 52 1.408 -9.667 0.136 427 2HB ALA 52 2HB ALA 52 1.139 -11.302 -0.473 428 3HB ALA 52 3HB ALA 52 -0.168 -10.119 -0.514 429 H THR 53 H THR 53 3.167 -8.465 -0.927 430 HA THR 53 HA THR 53 5.353 -10.132 -1.993 431 HB THR 53 HB THR 53 5.552 -7.141 -1.615 432 HG1 THR 53 1HG THR 53 4.609 -8.647 -3.804 433 1HG2 THR 53 1HG2 THR 53 7.492 -7.361 -3.093 434 2HG2 THR 53 2HG2 THR 53 7.214 -9.100 -3.199 435 3HG2 THR 53 3HG2 THR 53 7.665 -8.371 -1.658 436 H GLU 54 H GLU 54 7.226 -10.231 -0.585 437 HA GLU 54 HA GLU 54 6.553 -9.985 2.210 438 1HB GLU 54 2HB GLU 54 7.832 -11.923 1.407 439 2HB GLU 54 1HB GLU 54 9.125 -10.855 0.879 440 1HG GLU 54 2HG GLU 54 9.567 -10.209 3.161 441 2HG GLU 54 1HG GLU 54 8.211 -11.186 3.724 442 H TRP 55 H TRP 55 7.119 -8.349 3.541 443 HA TRP 55 HA TRP 55 9.113 -6.421 2.619 444 1HB TRP 55 2HB TRP 55 6.695 -5.823 1.904 445 2HB TRP 55 1HB TRP 55 6.448 -5.442 3.603 446 HD1 TRP 55 HD TRP 55 7.156 -3.070 4.370 447 HE1 TRP 55 1HE TRP 55 8.387 -1.097 3.264 448 HE3 TRP 55 3HE TRP 55 8.712 -5.382 0.081 449 HZ2 TRP 55 2HZ TRP 55 9.830 -0.595 0.889 450 HZ3 TRP 55 3HZ TRP 55 10.012 -4.082 -1.551 451 HH2 TRP 55 HH TRP 55 10.558 -1.739 -1.154 452 H THR 56 H THR 56 10.367 -5.763 4.213 453 HA THR 56 HA THR 56 11.309 -5.523 6.241 454 HB THR 56 HB THR 56 8.488 -5.276 7.257 455 HG1 THR 56 1HG THR 56 9.876 -3.725 5.562 456 1HG2 THR 56 1HG2 THR 56 11.095 -4.220 8.357 457 2HG2 THR 56 2HG2 THR 56 10.164 -5.556 9.033 458 3HG2 THR 56 3HG2 THR 56 9.497 -3.922 9.034 459 HA PRO 57 HA PRO 57 10.740 -9.820 7.706 460 1HB PRO 57 2HB PRO 57 13.482 -10.329 7.104 461 2HB PRO 57 1HB PRO 57 12.067 -10.959 6.261 462 1HG PRO 57 2HG PRO 57 13.910 -9.187 5.181 463 2HG PRO 57 1HG PRO 57 12.270 -9.450 4.569 464 1HD PRO 57 2HD PRO 57 13.315 -7.269 6.326 465 2HD PRO 57 1HD PRO 57 12.107 -7.190 5.023 466 H ASN 58 H ASN 58 12.234 -10.955 9.368 467 HA ASN 58 HA ASN 58 13.018 -8.913 11.291 468 1HB ASN 58 2HB ASN 58 12.397 -11.833 11.505 469 2HB ASN 58 1HB ASN 58 13.331 -11.041 12.772 470 1HD2 ASN 58 1HD2 ASN 58 12.359 -9.464 14.042 471 2HD2 ASN 58 2HD2 ASN 58 10.639 -9.275 14.107 472 H ASN 59 H ASN 59 14.988 -8.527 11.949 473 HA ASN 59 HA ASN 59 17.215 -9.840 10.604 474 1HB ASN 59 2HB ASN 59 17.065 -7.340 10.797 475 2HB ASN 59 1HB ASN 59 17.217 -7.505 12.541 476 1HD2 ASN 59 1HD2 ASN 59 19.090 -6.301 12.591 477 2HD2 ASN 59 2HD2 ASN 59 20.611 -6.919 12.012 478 H LEU 60 H LEU 60 19.239 -10.142 12.198 479 HA LEU 60 HA LEU 60 18.385 -12.105 14.098 480 1HB LEU 60 2HB LEU 60 20.652 -12.663 14.423 481 2HB LEU 60 1HB LEU 60 20.493 -12.276 12.725 482 HG LEU 60 HG LEU 60 21.504 -10.245 14.703 483 1HD1 LEU 60 1HD1 LEU 60 23.126 -12.273 13.170 484 2HD1 LEU 60 2HD1 LEU 60 22.908 -12.223 14.920 485 3HD1 LEU 60 3HD1 LEU 60 23.774 -10.923 14.101 486 1HD2 LEU 60 1HD2 LEU 60 20.857 -9.366 12.548 487 2HD2 LEU 60 2HD2 LEU 60 21.821 -10.591 11.724 488 3HD2 LEU 60 3HD2 LEU 60 22.615 -9.347 12.691 489 H GLU 61 H GLU 61 18.176 -8.994 14.341 490 HA GLU 61 HA GLU 61 19.084 -8.732 17.099 491 1HB GLU 61 2HB GLU 61 19.601 -6.870 15.617 492 2HB GLU 61 1HB GLU 61 17.902 -6.701 15.194 493 1HG GLU 61 2HG GLU 61 17.395 -6.103 17.514 494 2HG GLU 61 1HG GLU 61 19.107 -6.246 17.914 Start of MODEL 6 1 1H MET 1 1HT MET 1 -11.484 21.109 10.901 2 2H MET 1 2HT MET 1 -9.995 21.901 11.065 3 3H MET 1 3HT MET 1 -10.584 20.927 12.324 4 HA MET 1 HA MET 1 -9.869 19.937 9.633 5 1HB MET 1 2HB MET 1 -7.941 20.807 10.986 6 2HB MET 1 1HB MET 1 -8.344 19.629 12.226 7 1HG MET 1 2HG MET 1 -7.877 17.812 10.714 8 2HG MET 1 1HG MET 1 -7.614 18.943 9.389 9 1HE MET 1 1HE MET 1 -3.996 17.599 9.988 10 2HE MET 1 2HE MET 1 -5.297 17.843 8.821 11 3HE MET 1 3HE MET 1 -5.489 16.672 10.125 12 H SER 2 H SER 2 -10.428 17.844 9.265 13 HA SER 2 HA SER 2 -11.254 16.165 11.508 14 1HB SER 2 2HB SER 2 -13.073 16.752 9.153 15 2HB SER 2 1HB SER 2 -13.396 15.582 10.433 16 HG SER 2 HG SER 2 -12.823 17.902 11.583 17 H LEU 3 H LEU 3 -10.863 14.027 11.176 18 HA LEU 3 HA LEU 3 -9.598 13.272 8.649 19 1HB LEU 3 2HB LEU 3 -8.584 12.762 10.918 20 2HB LEU 3 1HB LEU 3 -9.890 11.621 11.163 21 HG LEU 3 HG LEU 3 -8.196 11.314 8.723 22 1HD1 LEU 3 1HD1 LEU 3 -6.577 11.682 10.517 23 2HD1 LEU 3 2HD1 LEU 3 -6.561 10.006 9.973 24 3HD1 LEU 3 3HD1 LEU 3 -7.360 10.434 11.485 25 1HD2 LEU 3 1HD2 LEU 3 -9.464 9.350 10.633 26 2HD2 LEU 3 2HD2 LEU 3 -8.629 8.952 9.129 27 3HD2 LEU 3 3HD2 LEU 3 -10.139 9.865 9.086 28 H ASP 4 H ASP 4 -10.388 11.638 7.325 29 HA ASP 4 HA ASP 4 -13.218 10.980 7.794 30 1HB ASP 4 2HB ASP 4 -12.602 12.424 5.796 31 2HB ASP 4 1HB ASP 4 -11.848 10.988 5.109 32 HA PRO 5 HA PRO 5 -11.238 6.860 7.981 33 1HB PRO 5 2HB PRO 5 -13.393 6.190 9.809 34 2HB PRO 5 1HB PRO 5 -11.657 6.231 10.116 35 1HG PRO 5 2HG PRO 5 -13.394 8.007 11.211 36 2HG PRO 5 1HG PRO 5 -11.703 8.406 10.845 37 1HD PRO 5 2HD PRO 5 -14.182 9.043 9.281 38 2HD PRO 5 1HD PRO 5 -12.775 10.072 9.632 39 H GLN 6 H GLN 6 -14.100 8.089 6.797 40 HA GLN 6 HA GLN 6 -15.382 5.551 6.222 41 1HB GLN 6 2HB GLN 6 -16.815 7.449 6.680 42 2HB GLN 6 1HB GLN 6 -16.040 8.389 5.411 43 1HG GLN 6 2HG GLN 6 -16.933 6.902 3.719 44 2HG GLN 6 1HG GLN 6 -17.647 5.881 4.966 45 1HE2 GLN 6 1HE2 GLN 6 -19.694 6.153 4.123 46 2HE2 GLN 6 2HE2 GLN 6 -20.581 7.629 4.318 47 H LEU 7 H LEU 7 -13.685 8.121 4.458 48 HA LEU 7 HA LEU 7 -13.785 6.789 1.942 49 1HB LEU 7 2HB LEU 7 -11.875 8.910 2.925 50 2HB LEU 7 1HB LEU 7 -12.061 8.412 1.255 51 HG LEU 7 HG LEU 7 -14.184 9.743 2.940 52 1HD1 LEU 7 1HD1 LEU 7 -13.835 11.657 1.469 53 2HD1 LEU 7 2HD1 LEU 7 -12.520 10.805 0.662 54 3HD1 LEU 7 3HD1 LEU 7 -12.369 11.256 2.359 55 1HD2 LEU 7 1HD2 LEU 7 -14.189 8.974 0.024 56 2HD2 LEU 7 2HD2 LEU 7 -15.444 9.897 0.854 57 3HD2 LEU 7 3HD2 LEU 7 -15.142 8.218 1.303 58 H LEU 8 H LEU 8 -11.679 6.598 4.696 59 HA LEU 8 HA LEU 8 -9.652 5.076 3.293 60 1HB LEU 8 2HB LEU 8 -10.030 5.678 6.229 61 2HB LEU 8 1HB LEU 8 -8.651 4.821 5.564 62 HG LEU 8 HG LEU 8 -9.398 7.681 4.935 63 1HD1 LEU 8 1HD1 LEU 8 -7.421 8.253 6.253 64 2HD1 LEU 8 2HD1 LEU 8 -7.192 6.551 6.656 65 3HD1 LEU 8 3HD1 LEU 8 -8.621 7.411 7.232 66 1HD2 LEU 8 1HD2 LEU 8 -6.979 6.055 4.172 67 2HD2 LEU 8 2HD2 LEU 8 -7.225 7.767 3.838 68 3HD2 LEU 8 3HD2 LEU 8 -8.269 6.568 3.084 69 H GLU 9 H GLU 9 -11.972 4.464 5.908 70 HA GLU 9 HA GLU 9 -13.000 2.622 6.686 71 1HB GLU 9 2HB GLU 9 -13.494 2.587 4.063 72 2HB GLU 9 1HB GLU 9 -12.568 1.094 4.168 73 1HG GLU 9 2HG GLU 9 -14.110 0.154 5.721 74 2HG GLU 9 1HG GLU 9 -14.946 1.694 5.906 75 H VAL 10 H VAL 10 -12.544 -0.136 6.156 76 HA VAL 10 HA VAL 10 -10.092 -0.368 7.725 77 HB VAL 10 HB VAL 10 -12.195 -2.472 7.189 78 1HG1 VAL 10 1HG1 VAL 10 -10.035 -3.418 7.798 79 2HG1 VAL 10 2HG1 VAL 10 -11.198 -3.627 9.109 80 3HG1 VAL 10 3HG1 VAL 10 -9.963 -2.372 9.218 81 1HG2 VAL 10 1HG2 VAL 10 -13.137 -0.567 8.386 82 2HG2 VAL 10 2HG2 VAL 10 -11.844 -0.672 9.581 83 3HG2 VAL 10 3HG2 VAL 10 -13.016 -1.979 9.435 84 H LEU 11 H LEU 11 -8.363 -0.457 6.383 85 HA LEU 11 HA LEU 11 -8.364 -2.281 4.120 86 1HB LEU 11 2HB LEU 11 -6.149 -0.582 5.278 87 2HB LEU 11 1HB LEU 11 -6.045 -1.505 3.791 88 HG LEU 11 HG LEU 11 -7.929 0.809 4.268 89 1HD1 LEU 11 1HD1 LEU 11 -6.501 2.030 2.721 90 2HD1 LEU 11 2HD1 LEU 11 -5.400 0.652 2.635 91 3HD1 LEU 11 3HD1 LEU 11 -5.605 1.525 4.155 92 1HD2 LEU 11 1HD2 LEU 11 -8.355 0.660 1.858 93 2HD2 LEU 11 2HD2 LEU 11 -8.842 -0.815 2.695 94 3HD2 LEU 11 3HD2 LEU 11 -7.340 -0.780 1.770 95 H ALA 12 H ALA 12 -8.079 -4.396 4.496 96 HA ALA 12 HA ALA 12 -6.191 -5.218 6.584 97 1HB ALA 12 1HB ALA 12 -7.809 -6.824 7.483 98 2HB ALA 12 2HB ALA 12 -9.033 -6.201 6.376 99 3HB ALA 12 3HB ALA 12 -8.379 -5.162 7.645 100 H CYS 13 H CYS 13 -5.817 -7.625 6.509 101 HA CYS 13 HA CYS 13 -5.385 -8.432 3.758 102 1HB CYS 13 2HB CYS 13 -4.602 -9.773 6.352 103 2HB CYS 13 1HB CYS 13 -4.068 -10.261 4.746 104 HG CYS 13 HG CYS 13 -3.421 -7.064 5.457 105 HA PRO 14 HA PRO 14 -8.714 -11.367 3.686 106 1HB PRO 14 2HB PRO 14 -7.898 -13.063 1.784 107 2HB PRO 14 1HB PRO 14 -8.292 -11.381 1.413 108 1HG PRO 14 2HG PRO 14 -5.623 -12.670 1.762 109 2HG PRO 14 1HG PRO 14 -6.131 -11.446 0.585 110 1HD PRO 14 2HD PRO 14 -4.739 -10.917 2.914 111 2HD PRO 14 1HD PRO 14 -5.716 -9.733 2.025 112 H LYS 15 H LYS 15 -6.094 -12.021 5.397 113 HA LYS 15 HA LYS 15 -6.820 -14.847 5.785 114 1HB LYS 15 2HB LYS 15 -4.567 -14.645 4.834 115 2HB LYS 15 1HB LYS 15 -4.092 -13.596 6.164 116 1HG LYS 15 2HG LYS 15 -4.239 -15.363 7.732 117 2HG LYS 15 1HG LYS 15 -5.051 -16.414 6.574 118 1HD LYS 15 2HD LYS 15 -2.223 -15.397 6.270 119 2HD LYS 15 1HD LYS 15 -2.654 -16.978 6.930 120 1HE LYS 15 2HE LYS 15 -3.830 -17.475 4.796 121 2HE LYS 15 1HE LYS 15 -3.223 -15.952 4.150 122 1HZ LYS 15 1HZ LYS 15 -1.544 -18.208 5.112 123 2HZ LYS 15 2HZ LYS 15 -0.968 -16.758 4.444 124 3HZ LYS 15 3HZ LYS 15 -1.859 -17.841 3.484 125 H ASP 16 H ASP 16 -4.955 -12.412 7.641 126 HA ASP 16 HA ASP 16 -6.299 -13.303 10.070 127 1HB ASP 16 2HB ASP 16 -4.682 -11.979 11.263 128 2HB ASP 16 1HB ASP 16 -3.818 -12.843 9.994 129 H LYS 17 H LYS 17 -6.367 -10.765 7.779 130 HA LYS 17 HA LYS 17 -7.697 -8.985 7.424 131 1HB LYS 17 2HB LYS 17 -9.413 -10.824 8.102 132 2HB LYS 17 1HB LYS 17 -9.553 -9.910 9.599 133 1HG LYS 17 2HG LYS 17 -10.337 -7.986 8.453 134 2HG LYS 17 1HG LYS 17 -9.948 -8.686 6.881 135 1HD LYS 17 2HD LYS 17 -11.620 -10.479 7.351 136 2HD LYS 17 1HD LYS 17 -12.083 -9.585 8.804 137 1HE LYS 17 2HE LYS 17 -12.725 -7.676 7.472 138 2HE LYS 17 1HE LYS 17 -12.158 -8.472 6.004 139 1HZ LYS 17 1HZ LYS 17 -14.530 -8.660 6.154 140 2HZ LYS 17 2HZ LYS 17 -14.433 -9.325 7.711 141 3HZ LYS 17 3HZ LYS 17 -13.849 -10.198 6.378 142 H GLY 18 H GLY 18 -5.545 -8.785 9.282 143 1HA GLY 18 2HA GLY 18 -6.489 -6.961 11.343 144 2HA GLY 18 1HA GLY 18 -4.830 -7.479 11.088 145 HA PRO 19 HA PRO 19 -5.834 -3.133 9.337 146 1HB PRO 19 2HB PRO 19 -4.100 -2.189 11.531 147 2HB PRO 19 1HB PRO 19 -5.665 -1.575 10.990 148 1HG PRO 19 2HG PRO 19 -5.422 -2.917 13.291 149 2HG PRO 19 1HG PRO 19 -6.853 -3.098 12.258 150 1HD PRO 19 2HD PRO 19 -4.485 -4.915 12.549 151 2HD PRO 19 1HD PRO 19 -6.212 -5.323 12.437 152 H LEU 20 H LEU 20 -4.603 -2.904 7.623 153 HA LEU 20 HA LEU 20 -1.857 -3.689 7.533 154 1HB LEU 20 2HB LEU 20 -3.703 -2.324 5.591 155 2HB LEU 20 1HB LEU 20 -2.012 -2.598 5.227 156 HG LEU 20 HG LEU 20 -3.860 -4.853 5.982 157 1HD1 LEU 20 1HD1 LEU 20 -4.121 -5.313 3.608 158 2HD1 LEU 20 2HD1 LEU 20 -3.202 -3.862 3.211 159 3HD1 LEU 20 3HD1 LEU 20 -4.772 -3.721 4.001 160 1HD2 LEU 20 1HD2 LEU 20 -1.452 -5.251 6.166 161 2HD2 LEU 20 2HD2 LEU 20 -1.243 -4.738 4.492 162 3HD2 LEU 20 3HD2 LEU 20 -2.164 -6.196 4.859 163 H ARG 21 H ARG 21 -0.038 -2.442 7.422 164 HA ARG 21 HA ARG 21 -0.246 0.238 8.506 165 1HB ARG 21 2HB ARG 21 1.481 -1.365 9.297 166 2HB ARG 21 1HB ARG 21 2.190 -1.364 7.688 167 1HG ARG 21 2HG ARG 21 2.760 0.970 7.891 168 2HG ARG 21 1HG ARG 21 1.947 1.055 9.456 169 1HD ARG 21 2HD ARG 21 3.530 -0.560 10.375 170 2HD ARG 21 1HD ARG 21 4.334 -0.669 8.810 171 HE ARG 21 HE ARG 21 4.386 1.994 9.441 172 1HH1 ARG 21 1HH1 ARG 21 5.477 -0.939 11.039 173 2HH1 ARG 21 2HH1 ARG 21 6.826 -0.165 11.810 174 1HH2 ARG 21 1HH2 ARG 21 6.146 3.009 10.454 175 2HH2 ARG 21 2HH2 ARG 21 7.236 2.090 11.448 176 H TYR 22 H TYR 22 -0.183 2.059 7.322 177 HA TYR 22 HA TYR 22 -0.168 1.715 4.429 178 1HB TYR 22 2HB TYR 22 -2.002 2.908 5.809 179 2HB TYR 22 1HB TYR 22 -0.866 4.244 5.908 180 HD1 TYR 22 1HD TYR 22 0.024 5.164 3.618 181 HD2 TYR 22 2HD TYR 22 -3.460 2.759 4.042 182 HE1 TYR 22 1HE TYR 22 -0.814 6.002 1.462 183 HE2 TYR 22 2HE TYR 22 -4.302 3.588 1.891 184 HH TYR 22 HH TYR 22 -4.024 5.560 0.443 185 H LEU 23 H LEU 23 1.580 2.164 3.291 186 HA LEU 23 HA LEU 23 3.555 4.062 4.319 187 1HB LEU 23 2HB LEU 23 3.595 2.107 2.026 188 2HB LEU 23 1HB LEU 23 4.830 3.333 2.222 189 HG LEU 23 HG LEU 23 5.688 1.282 3.081 190 1HD1 LEU 23 1HD1 LEU 23 6.272 3.273 4.343 191 2HD1 LEU 23 2HD1 LEU 23 6.168 1.864 5.397 192 3HD1 LEU 23 3HD1 LEU 23 4.861 3.047 5.376 193 1HD2 LEU 23 1HD2 LEU 23 4.605 0.037 4.889 194 2HD2 LEU 23 2HD2 LEU 23 3.601 0.092 3.441 195 3HD2 LEU 23 3HD2 LEU 23 3.226 1.133 4.813 196 H GLU 24 H GLU 24 3.161 6.106 3.880 197 HA GLU 24 HA GLU 24 1.327 7.031 1.961 198 1HB GLU 24 2HB GLU 24 3.574 8.704 3.078 199 2HB GLU 24 1HB GLU 24 1.964 9.222 2.607 200 1HG GLU 24 2HG GLU 24 2.658 7.532 5.000 201 2HG GLU 24 1HG GLU 24 2.222 9.238 5.014 202 H SER 25 H SER 25 4.733 6.395 1.825 203 HA SER 25 HA SER 25 5.632 8.050 -0.175 204 1HB SER 25 2HB SER 25 7.238 6.030 -0.621 205 2HB SER 25 1HB SER 25 7.270 6.851 0.942 206 HG SER 25 HG SER 25 6.470 5.137 1.882 207 H GLU 26 H GLU 26 4.660 4.650 -0.728 208 HA GLU 26 HA GLU 26 3.979 5.425 -3.494 209 1HB GLU 26 2HB GLU 26 5.343 2.897 -2.566 210 2HB GLU 26 1HB GLU 26 4.736 3.159 -4.196 211 1HG GLU 26 2HG GLU 26 6.248 5.143 -4.347 212 2HG GLU 26 1HG GLU 26 6.956 4.638 -2.810 213 H GLN 27 H GLN 27 2.366 5.028 -1.006 214 HA GLN 27 HA GLN 27 0.471 4.048 -0.271 215 1HB GLN 27 2HB GLN 27 0.050 3.853 -3.253 216 2HB GLN 27 1HB GLN 27 -1.184 3.384 -2.093 217 1HG GLN 27 2HG GLN 27 -1.728 5.566 -2.728 218 2HG GLN 27 1HG GLN 27 -0.983 5.722 -1.141 219 1HE2 GLN 27 1HE2 GLN 27 -0.360 7.826 -1.411 220 2HE2 GLN 27 2HE2 GLN 27 0.902 8.310 -2.499 221 H LEU 28 H LEU 28 1.883 2.387 0.611 222 HA LEU 28 HA LEU 28 1.333 -0.241 -0.599 223 1HB LEU 28 2HB LEU 28 3.730 0.593 1.042 224 2HB LEU 28 1HB LEU 28 3.416 -1.035 0.471 225 HG LEU 28 HG LEU 28 3.913 1.359 -1.305 226 1HD1 LEU 28 1HD1 LEU 28 5.700 -0.954 -0.569 227 2HD1 LEU 28 2HD1 LEU 28 5.907 0.727 -0.071 228 3HD1 LEU 28 3HD1 LEU 28 6.060 0.286 -1.773 229 1HD2 LEU 28 1HD2 LEU 28 3.654 -1.576 -1.956 230 2HD2 LEU 28 2HD2 LEU 28 4.066 -0.295 -3.096 231 3HD2 LEU 28 3HD2 LEU 28 2.473 -0.324 -2.338 232 H LEU 29 H LEU 29 0.800 -1.928 0.826 233 HA LEU 29 HA LEU 29 0.073 -1.038 3.542 234 1HB LEU 29 2HB LEU 29 -1.426 -2.908 1.703 235 2HB LEU 29 1HB LEU 29 -1.835 -2.629 3.386 236 HG LEU 29 HG LEU 29 -1.840 -0.489 1.258 237 1HD1 LEU 29 1HD1 LEU 29 -4.296 -0.632 1.440 238 2HD1 LEU 29 2HD1 LEU 29 -4.113 -2.058 2.459 239 3HD1 LEU 29 3HD1 LEU 29 -3.571 -2.100 0.782 240 1HD2 LEU 29 1HD2 LEU 29 -3.022 0.831 2.933 241 2HD2 LEU 29 2HD2 LEU 29 -1.433 0.345 3.523 242 3HD2 LEU 29 3HD2 LEU 29 -2.877 -0.490 4.092 243 H VAL 30 H VAL 30 1.427 -2.011 4.919 244 HA VAL 30 HA VAL 30 2.264 -4.778 4.327 245 HB VAL 30 HB VAL 30 3.672 -2.755 6.080 246 1HG1 VAL 30 1HG1 VAL 30 5.534 -4.358 6.034 247 2HG1 VAL 30 2HG1 VAL 30 4.534 -5.486 5.122 248 3HG1 VAL 30 3HG1 VAL 30 4.092 -5.054 6.773 249 1HG2 VAL 30 1HG2 VAL 30 4.332 -3.677 3.283 250 2HG2 VAL 30 2HG2 VAL 30 5.363 -2.658 4.294 251 3HG2 VAL 30 3HG2 VAL 30 3.789 -2.065 3.757 252 H ASN 31 H ASN 31 1.613 -6.331 5.654 253 HA ASN 31 HA ASN 31 0.303 -5.615 8.170 254 1HB ASN 31 2HB ASN 31 -0.769 -7.255 6.591 255 2HB ASN 31 1HB ASN 31 0.582 -8.346 6.881 256 1HD2 ASN 31 1HD2 ASN 31 -2.253 -8.727 7.402 257 2HD2 ASN 31 2HD2 ASN 31 -2.399 -9.067 9.095 258 H GLU 32 H GLU 32 1.453 -5.579 9.981 259 HA GLU 32 HA GLU 32 4.175 -6.531 9.930 260 1HB GLU 32 2HB GLU 32 3.240 -4.329 10.949 261 2HB GLU 32 1HB GLU 32 2.847 -5.334 12.338 262 1HG GLU 32 2HG GLU 32 5.149 -5.903 12.660 263 2HG GLU 32 1HG GLU 32 5.603 -5.116 11.149 264 H ARG 33 H ARG 33 1.324 -8.036 10.549 265 HA ARG 33 HA ARG 33 2.346 -9.811 12.626 266 1HB ARG 33 2HB ARG 33 -0.183 -9.932 10.975 267 2HB ARG 33 1HB ARG 33 0.231 -11.063 12.251 268 1HG ARG 33 2HG ARG 33 0.128 -9.284 13.893 269 2HG ARG 33 1HG ARG 33 -0.224 -8.111 12.618 270 1HD ARG 33 2HD ARG 33 -2.260 -9.309 12.059 271 2HD ARG 33 1HD ARG 33 -1.908 -10.518 13.291 272 HE ARG 33 HE ARG 33 -1.977 -8.339 14.784 273 1HH1 ARG 33 1HH1 ARG 33 -4.098 -9.327 12.178 274 2HH1 ARG 33 2HH1 ARG 33 -5.501 -8.568 12.871 275 1HH2 ARG 33 1HH2 ARG 33 -3.798 -7.263 15.650 276 2HH2 ARG 33 2HH2 ARG 33 -5.328 -7.356 14.819 277 H LEU 34 H LEU 34 1.073 -10.235 9.338 278 HA LEU 34 HA LEU 34 2.257 -12.838 9.095 279 1HB LEU 34 2HB LEU 34 0.872 -11.119 7.039 280 2HB LEU 34 1HB LEU 34 1.292 -12.807 6.828 281 HG LEU 34 HG LEU 34 -0.681 -11.722 8.843 282 1HD1 LEU 34 1HD1 LEU 34 -2.359 -12.839 7.462 283 2HD1 LEU 34 2HD1 LEU 34 -1.109 -13.292 6.306 284 3HD1 LEU 34 3HD1 LEU 34 -1.504 -11.594 6.552 285 1HD2 LEU 34 1HD2 LEU 34 0.055 -14.571 8.172 286 2HD2 LEU 34 2HD2 LEU 34 -1.210 -14.054 9.289 287 3HD2 LEU 34 3HD2 LEU 34 0.482 -13.717 9.657 288 H ASN 35 H ASN 35 3.408 -9.733 8.683 289 HA ASN 35 HA ASN 35 5.348 -8.859 7.897 290 1HB ASN 35 2HB ASN 35 6.099 -11.205 8.910 291 2HB ASN 35 1HB ASN 35 6.454 -11.556 7.224 292 1HD2 ASN 35 1HD2 ASN 35 7.217 -8.856 6.554 293 2HD2 ASN 35 2HD2 ASN 35 8.747 -8.565 7.298 294 H LEU 36 H LEU 36 3.117 -9.355 6.153 295 HA LEU 36 HA LEU 36 4.473 -9.726 3.560 296 1HB LEU 36 2HB LEU 36 1.604 -10.315 4.298 297 2HB LEU 36 1HB LEU 36 2.259 -10.430 2.677 298 HG LEU 36 HG LEU 36 3.111 -12.111 5.033 299 1HD1 LEU 36 1HD1 LEU 36 0.853 -12.631 4.264 300 2HD1 LEU 36 2HD1 LEU 36 1.981 -13.931 3.881 301 3HD1 LEU 36 3HD1 LEU 36 1.455 -12.818 2.617 302 1HD2 LEU 36 1HD2 LEU 36 4.340 -13.417 3.369 303 2HD2 LEU 36 2HD2 LEU 36 4.929 -11.755 3.455 304 3HD2 LEU 36 3HD2 LEU 36 3.884 -12.255 2.122 305 H ALA 37 H ALA 37 3.855 -8.350 1.860 306 HA ALA 37 HA ALA 37 2.422 -5.924 2.710 307 1HB ALA 37 1HB ALA 37 4.838 -5.546 2.523 308 2HB ALA 37 2HB ALA 37 3.924 -4.613 1.336 309 3HB ALA 37 3HB ALA 37 4.780 -6.074 0.841 310 H TYR 38 H TYR 38 0.966 -5.065 1.361 311 HA TYR 38 HA TYR 38 0.582 -6.326 -1.277 312 1HB TYR 38 2HB TYR 38 -1.484 -5.032 0.521 313 2HB TYR 38 1HB TYR 38 -1.798 -5.674 -1.087 314 HD1 TYR 38 1HD TYR 38 -1.738 -8.115 -1.476 315 HD2 TYR 38 2HD TYR 38 -1.315 -6.472 2.427 316 HE1 TYR 38 1HE TYR 38 -2.241 -10.316 -0.499 317 HE2 TYR 38 2HE TYR 38 -1.814 -8.667 3.409 318 HH TYR 38 HH TYR 38 -1.805 -11.522 1.636 319 H ARG 39 H ARG 39 0.118 -4.923 -3.014 320 HA ARG 39 HA ARG 39 1.076 -2.196 -2.549 321 1HB ARG 39 2HB ARG 39 1.484 -2.156 -4.996 322 2HB ARG 39 1HB ARG 39 2.380 -3.419 -4.165 323 1HG ARG 39 2HG ARG 39 0.819 -5.089 -4.931 324 2HG ARG 39 1HG ARG 39 -0.196 -3.849 -5.668 325 1HD ARG 39 2HD ARG 39 1.589 -3.278 -7.210 326 2HD ARG 39 1HD ARG 39 2.656 -4.450 -6.438 327 HE ARG 39 HE ARG 39 0.959 -6.164 -7.193 328 1HH1 ARG 39 1HH1 ARG 39 1.435 -3.150 -8.917 329 2HH1 ARG 39 2HH1 ARG 39 0.916 -3.794 -10.440 330 1HH2 ARG 39 1HH2 ARG 39 0.306 -7.017 -9.166 331 2HH2 ARG 39 2HH2 ARG 39 0.298 -6.018 -10.592 332 H ILE 40 H ILE 40 -0.121 -0.416 -3.063 333 HA ILE 40 HA ILE 40 -2.855 -0.877 -4.000 334 HB ILE 40 HB ILE 40 -1.552 1.679 -3.040 335 1HG1 ILE 40 2HG1 ILE 40 -3.516 -0.157 -1.652 336 2HG1 ILE 40 1HG1 ILE 40 -1.806 -0.014 -1.262 337 1HG2 ILE 40 1HG2 ILE 40 -4.436 1.081 -3.682 338 2HG2 ILE 40 2HG2 ILE 40 -3.356 2.134 -4.597 339 3HG2 ILE 40 3HG2 ILE 40 -3.836 2.575 -2.956 340 1HD1 ILE 40 1HD1 ILE 40 -2.148 2.306 -0.598 341 2HD1 ILE 40 2HD1 ILE 40 -3.183 1.208 0.316 342 3HD1 ILE 40 3HD1 ILE 40 -3.859 2.170 -1.000 343 H ASP 41 H ASP 41 -3.189 -0.848 -6.110 344 HA ASP 41 HA ASP 41 -1.205 0.472 -7.820 345 1HB ASP 41 2HB ASP 41 -1.611 -1.952 -8.189 346 2HB ASP 41 1HB ASP 41 -3.292 -1.590 -8.566 347 H ASP 42 H ASP 42 -1.803 2.504 -8.007 348 HA ASP 42 HA ASP 42 -3.001 4.370 -8.479 349 1HB ASP 42 2HB ASP 42 -2.610 3.332 -10.723 350 2HB ASP 42 1HB ASP 42 -4.221 2.628 -10.625 351 H GLY 43 H GLY 43 -4.117 3.756 -6.340 352 1HA GLY 43 2HA GLY 43 -6.092 4.411 -5.280 353 2HA GLY 43 1HA GLY 43 -6.939 4.274 -6.809 354 H ILE 44 H ILE 44 -5.579 1.444 -6.939 355 HA ILE 44 HA ILE 44 -7.757 0.184 -5.406 356 HB ILE 44 HB ILE 44 -6.352 -0.862 -7.868 357 1HG1 ILE 44 2HG1 ILE 44 -9.140 0.246 -7.499 358 2HG1 ILE 44 1HG1 ILE 44 -7.823 1.052 -8.342 359 1HG2 ILE 44 1HG2 ILE 44 -8.692 -1.966 -6.319 360 2HG2 ILE 44 2HG2 ILE 44 -7.077 -2.666 -6.413 361 3HG2 ILE 44 3HG2 ILE 44 -8.092 -2.599 -7.853 362 1HD1 ILE 44 1HD1 ILE 44 -9.094 -1.549 -9.170 363 2HD1 ILE 44 2HD1 ILE 44 -7.822 -0.689 -10.037 364 3HD1 ILE 44 3HD1 ILE 44 -9.426 0.030 -9.879 365 HA PRO 45 HA PRO 45 -4.307 -1.612 -3.089 366 1HB PRO 45 2HB PRO 45 -5.874 -2.619 -1.106 367 2HB PRO 45 1HB PRO 45 -5.333 -0.937 -1.148 368 1HG PRO 45 2HG PRO 45 -7.970 -2.102 -1.925 369 2HG PRO 45 1HG PRO 45 -7.621 -0.591 -1.069 370 1HD PRO 45 2HD PRO 45 -8.248 -0.704 -3.716 371 2HD PRO 45 1HD PRO 45 -7.223 0.559 -3.011 372 H VAL 46 H VAL 46 -3.580 -3.365 -4.136 373 HA VAL 46 HA VAL 46 -5.349 -5.441 -5.045 374 HB VAL 46 HB VAL 46 -2.327 -5.354 -5.108 375 1HG1 VAL 46 1HG1 VAL 46 -4.273 -7.069 -6.652 376 2HG1 VAL 46 2HG1 VAL 46 -3.215 -7.613 -5.352 377 3HG1 VAL 46 3HG1 VAL 46 -2.521 -7.041 -6.868 378 1HG2 VAL 46 1HG2 VAL 46 -2.585 -4.623 -7.436 379 2HG2 VAL 46 2HG2 VAL 46 -3.306 -3.468 -6.312 380 3HG2 VAL 46 3HG2 VAL 46 -4.336 -4.573 -7.223 381 H LEU 47 H LEU 47 -6.205 -6.614 -3.420 382 HA LEU 47 HA LEU 47 -4.400 -7.654 -1.355 383 1HB LEU 47 2HB LEU 47 -7.418 -7.640 -1.443 384 2HB LEU 47 1HB LEU 47 -6.438 -8.215 -0.108 385 HG LEU 47 HG LEU 47 -6.509 -5.364 -1.097 386 1HD1 LEU 47 1HD1 LEU 47 -7.740 -4.899 0.955 387 2HD1 LEU 47 2HD1 LEU 47 -7.745 -6.615 1.354 388 3HD1 LEU 47 3HD1 LEU 47 -8.618 -6.036 -0.064 389 1HD2 LEU 47 1HD2 LEU 47 -5.267 -4.872 0.951 390 2HD2 LEU 47 2HD2 LEU 47 -4.369 -5.965 -0.101 391 3HD2 LEU 47 3HD2 LEU 47 -5.197 -6.594 1.324 392 H LEU 48 H LEU 48 -3.507 -9.128 -2.969 393 HA LEU 48 HA LEU 48 -5.168 -11.552 -3.216 394 1HB LEU 48 2HB LEU 48 -3.072 -10.527 -5.137 395 2HB LEU 48 1HB LEU 48 -3.849 -12.092 -5.256 396 HG LEU 48 HG LEU 48 -5.255 -9.428 -5.484 397 1HD1 LEU 48 1HD1 LEU 48 -4.510 -11.469 -7.578 398 2HD1 LEU 48 2HD1 LEU 48 -3.822 -9.857 -7.399 399 3HD1 LEU 48 3HD1 LEU 48 -5.515 -10.046 -7.848 400 1HD2 LEU 48 1HD2 LEU 48 -6.708 -11.140 -4.553 401 2HD2 LEU 48 2HD2 LEU 48 -6.266 -12.247 -5.853 402 3HD2 LEU 48 3HD2 LEU 48 -7.172 -10.777 -6.218 403 H ILE 49 H ILE 49 -4.258 -13.444 -2.558 404 HA ILE 49 HA ILE 49 -2.095 -13.404 -0.776 405 HB ILE 49 HB ILE 49 -3.296 -15.756 -2.253 406 1HG1 ILE 49 2HG1 ILE 49 -4.896 -14.528 -0.833 407 2HG1 ILE 49 1HG1 ILE 49 -4.557 -16.129 -0.178 408 1HG2 ILE 49 1HG2 ILE 49 -1.526 -15.756 0.188 409 2HG2 ILE 49 2HG2 ILE 49 -1.050 -16.275 -1.427 410 3HG2 ILE 49 3HG2 ILE 49 -2.292 -17.166 -0.544 411 1HD1 ILE 49 1HD1 ILE 49 -3.010 -15.116 1.438 412 2HD1 ILE 49 2HD1 ILE 49 -4.649 -14.489 1.592 413 3HD1 ILE 49 3HD1 ILE 49 -3.405 -13.523 0.795 414 H ASP 50 H ASP 50 -2.265 -14.064 -4.207 415 HA ASP 50 HA ASP 50 0.370 -15.085 -4.493 416 1HB ASP 50 2HB ASP 50 -1.415 -15.496 -6.150 417 2HB ASP 50 1HB ASP 50 -1.417 -13.782 -6.560 418 H GLU 51 H GLU 51 -0.967 -11.882 -4.344 419 HA GLU 51 HA GLU 51 1.426 -10.608 -5.366 420 1HB GLU 51 2HB GLU 51 -1.127 -9.519 -4.175 421 2HB GLU 51 1HB GLU 51 0.212 -8.496 -4.680 422 1HG GLU 51 2HG GLU 51 -1.262 -10.395 -6.489 423 2HG GLU 51 1HG GLU 51 -1.598 -8.669 -6.348 424 H ALA 52 H ALA 52 0.260 -11.765 -2.393 425 HA ALA 52 HA ALA 52 1.469 -9.963 -0.599 426 1HB ALA 52 1HB ALA 52 -0.250 -11.558 0.097 427 2HB ALA 52 2HB ALA 52 1.211 -11.720 1.073 428 3HB ALA 52 3HB ALA 52 0.866 -12.893 -0.198 429 H THR 53 H THR 53 3.535 -9.479 -0.656 430 HA THR 53 HA THR 53 5.505 -11.658 -0.922 431 HB THR 53 HB THR 53 6.075 -8.756 -1.510 432 HG1 THR 53 1HG THR 53 4.276 -9.836 -2.810 433 1HG2 THR 53 1HG2 THR 53 7.858 -9.692 -2.904 434 2HG2 THR 53 2HG2 THR 53 7.342 -11.323 -2.475 435 3HG2 THR 53 3HG2 THR 53 7.998 -10.252 -1.238 436 H GLU 54 H GLU 54 7.366 -11.530 0.475 437 HA GLU 54 HA GLU 54 6.774 -10.443 3.064 438 1HB GLU 54 2HB GLU 54 9.349 -11.661 2.036 439 2HB GLU 54 1HB GLU 54 8.961 -11.347 3.722 440 1HG GLU 54 2HG GLU 54 7.100 -12.935 3.577 441 2HG GLU 54 1HG GLU 54 7.534 -13.270 1.902 442 H TRP 55 H TRP 55 7.528 -8.615 4.009 443 HA TRP 55 HA TRP 55 9.455 -6.967 2.548 444 1HB TRP 55 2HB TRP 55 7.113 -6.402 1.807 445 2HB TRP 55 1HB TRP 55 6.772 -5.912 3.460 446 HD1 TRP 55 HD TRP 55 7.585 -3.531 4.210 447 HE1 TRP 55 1HE TRP 55 8.681 -1.559 2.979 448 HE3 TRP 55 3HE TRP 55 8.832 -5.890 -0.146 449 HZ2 TRP 55 2HZ TRP 55 9.904 -1.060 0.476 450 HZ3 TRP 55 3HZ TRP 55 9.960 -4.598 -1.908 451 HH2 TRP 55 HH TRP 55 10.485 -2.234 -1.602 452 H THR 56 H THR 56 10.687 -5.677 3.836 453 HA THR 56 HA THR 56 11.665 -4.816 5.668 454 HB THR 56 HB THR 56 8.937 -5.101 6.909 455 HG1 THR 56 1HG THR 56 10.064 -2.638 6.169 456 1HG2 THR 56 1HG2 THR 56 9.707 -3.482 8.575 457 2HG2 THR 56 2HG2 THR 56 11.317 -3.497 7.855 458 3HG2 THR 56 3HG2 THR 56 10.683 -4.948 8.631 459 HA PRO 57 HA PRO 57 12.599 -8.723 7.795 460 1HB PRO 57 2HB PRO 57 15.361 -8.139 7.229 461 2HB PRO 57 1HB PRO 57 14.378 -9.464 6.604 462 1HG PRO 57 2HG PRO 57 15.330 -7.406 5.061 463 2HG PRO 57 1HG PRO 57 13.881 -8.351 4.674 464 1HD PRO 57 2HD PRO 57 14.098 -5.647 5.956 465 2HD PRO 57 1HD PRO 57 12.955 -6.223 4.720 466 H ASN 58 H ASN 58 13.324 -8.857 9.910 467 HA ASN 58 HA ASN 58 14.059 -6.300 11.142 468 1HB ASN 58 2HB ASN 58 12.070 -7.499 12.025 469 2HB ASN 58 1HB ASN 58 13.109 -8.853 12.461 470 1HD2 ASN 58 1HD2 ASN 58 12.653 -8.699 14.637 471 2HD2 ASN 58 2HD2 ASN 58 13.228 -7.403 15.628 472 H ASN 59 H ASN 59 15.950 -5.986 12.167 473 HA ASN 59 HA ASN 59 17.914 -8.159 12.122 474 1HB ASN 59 2HB ASN 59 18.582 -5.989 11.149 475 2HB ASN 59 1HB ASN 59 18.261 -5.195 12.682 476 1HD2 ASN 59 1HD2 ASN 59 20.701 -5.432 11.036 477 2HD2 ASN 59 2HD2 ASN 59 21.919 -6.053 12.107 478 H LEU 60 H LEU 60 17.862 -9.404 13.872 479 HA LEU 60 HA LEU 60 16.852 -8.584 16.388 480 1HB LEU 60 2HB LEU 60 18.520 -10.972 15.592 481 2HB LEU 60 1HB LEU 60 17.922 -10.721 17.219 482 HG LEU 60 HG LEU 60 16.453 -12.260 16.198 483 1HD1 LEU 60 1HD1 LEU 60 15.320 -10.579 17.517 484 2HD1 LEU 60 2HD1 LEU 60 14.309 -11.070 16.155 485 3HD1 LEU 60 3HD1 LEU 60 15.176 -9.533 16.105 486 1HD2 LEU 60 1HD2 LEU 60 15.296 -11.826 14.071 487 2HD2 LEU 60 2HD2 LEU 60 17.045 -11.931 13.876 488 3HD2 LEU 60 3HD2 LEU 60 16.252 -10.356 13.868 489 H GLU 61 H GLU 61 17.770 -7.417 17.867 490 HA GLU 61 HA GLU 61 20.089 -6.004 17.480 491 1HB GLU 61 2HB GLU 61 18.718 -6.615 20.102 492 2HB GLU 61 1HB GLU 61 19.849 -5.296 19.818 493 1HG GLU 61 2HG GLU 61 18.330 -4.290 18.227 494 2HG GLU 61 1HG GLU 61 17.207 -5.637 18.414 Start of MODEL 7 1 1H MET 1 1HT MET 1 -5.609 19.856 6.067 2 2H MET 1 2HT MET 1 -5.127 18.556 5.093 3 3H MET 1 3HT MET 1 -4.419 20.082 4.879 4 HA MET 1 HA MET 1 -3.455 19.961 7.098 5 1HB MET 1 2HB MET 1 -4.660 17.186 7.047 6 2HB MET 1 1HB MET 1 -3.486 17.735 8.233 7 1HG MET 1 2HG MET 1 -5.040 19.413 9.032 8 2HG MET 1 1HG MET 1 -6.210 18.932 7.803 9 1HE MET 1 1HE MET 1 -5.910 15.781 7.776 10 2HE MET 1 2HE MET 1 -7.474 16.598 7.789 11 3HE MET 1 3HE MET 1 -7.146 15.303 8.940 12 H SER 2 H SER 2 -2.943 19.462 4.194 13 HA SER 2 HA SER 2 -1.301 18.710 2.828 14 1HB SER 2 2HB SER 2 0.211 18.326 5.428 15 2HB SER 2 1HB SER 2 0.934 18.342 3.818 16 HG SER 2 HG SER 2 0.167 20.429 5.412 17 H LEU 3 H LEU 3 -3.291 16.874 3.893 18 HA LEU 3 HA LEU 3 -1.968 14.326 3.354 19 1HB LEU 3 2HB LEU 3 -1.942 14.611 5.812 20 2HB LEU 3 1HB LEU 3 -3.677 14.845 5.799 21 HG LEU 3 HG LEU 3 -3.934 12.521 4.939 22 1HD1 LEU 3 1HD1 LEU 3 -0.978 12.361 5.493 23 2HD1 LEU 3 2HD1 LEU 3 -1.744 12.280 3.906 24 3HD1 LEU 3 3HD1 LEU 3 -2.029 11.002 5.090 25 1HD2 LEU 3 1HD2 LEU 3 -3.432 11.436 7.075 26 2HD2 LEU 3 2HD2 LEU 3 -4.174 13.016 7.312 27 3HD2 LEU 3 3HD2 LEU 3 -2.437 12.815 7.541 28 H ASP 4 H ASP 4 -3.552 12.648 2.774 29 HA ASP 4 HA ASP 4 -6.013 13.873 1.723 30 1HB ASP 4 2HB ASP 4 -4.262 13.102 0.043 31 2HB ASP 4 1HB ASP 4 -4.664 11.456 0.534 32 HA PRO 5 HA PRO 5 -7.550 10.723 4.684 33 1HB PRO 5 2HB PRO 5 -9.865 12.503 4.848 34 2HB PRO 5 1HB PRO 5 -8.775 11.968 6.130 35 1HG PRO 5 2HG PRO 5 -8.799 14.514 5.225 36 2HG PRO 5 1HG PRO 5 -7.321 13.725 5.805 37 1HD PRO 5 2HD PRO 5 -8.251 14.173 2.990 38 2HD PRO 5 1HD PRO 5 -6.626 14.369 3.685 39 H GLN 6 H GLN 6 -8.383 11.637 1.616 40 HA GLN 6 HA GLN 6 -10.913 10.216 1.483 41 1HB GLN 6 2HB GLN 6 -10.521 12.271 0.135 42 2HB GLN 6 1HB GLN 6 -9.241 11.440 -0.729 43 1HG GLN 6 2HG GLN 6 -11.965 10.251 -0.730 44 2HG GLN 6 1HG GLN 6 -11.660 11.672 -1.722 45 1HE2 GLN 6 1HE2 GLN 6 -11.102 8.291 -1.321 46 2HE2 GLN 6 2HE2 GLN 6 -10.304 8.032 -2.832 47 H LEU 7 H LEU 7 -7.616 9.914 0.201 48 HA LEU 7 HA LEU 7 -7.979 7.338 -0.922 49 1HB LEU 7 2HB LEU 7 -5.452 8.687 0.039 50 2HB LEU 7 1HB LEU 7 -5.508 7.246 -0.959 51 HG LEU 7 HG LEU 7 -6.525 9.973 -1.770 52 1HD1 LEU 7 1HD1 LEU 7 -4.086 9.881 -1.603 53 2HD1 LEU 7 2HD1 LEU 7 -4.610 9.995 -3.282 54 3HD1 LEU 7 3HD1 LEU 7 -4.069 8.447 -2.634 55 1HD2 LEU 7 1HD2 LEU 7 -7.785 8.174 -2.825 56 2HD2 LEU 7 2HD2 LEU 7 -6.283 7.405 -3.335 57 3HD2 LEU 7 3HD2 LEU 7 -6.738 8.974 -3.997 58 H LEU 8 H LEU 8 -7.268 8.457 2.284 59 HA LEU 8 HA LEU 8 -6.371 5.884 3.227 60 1HB LEU 8 2HB LEU 8 -7.085 8.384 4.763 61 2HB LEU 8 1HB LEU 8 -6.319 6.960 5.438 62 HG LEU 8 HG LEU 8 -5.117 8.783 3.353 63 1HD1 LEU 8 1HD1 LEU 8 -4.446 8.399 6.270 64 2HD1 LEU 8 2HD1 LEU 8 -5.252 9.805 5.569 65 3HD1 LEU 8 3HD1 LEU 8 -3.582 9.436 5.132 66 1HD2 LEU 8 1HD2 LEU 8 -4.395 6.465 3.083 67 2HD2 LEU 8 2HD2 LEU 8 -3.936 6.405 4.784 68 3HD2 LEU 8 3HD2 LEU 8 -3.081 7.481 3.678 69 H GLU 9 H GLU 9 -7.864 4.347 3.220 70 HA GLU 9 HA GLU 9 -10.363 4.851 4.694 71 1HB GLU 9 2HB GLU 9 -9.821 3.083 2.315 72 2HB GLU 9 1HB GLU 9 -11.204 2.813 3.365 73 1HG GLU 9 2HG GLU 9 -10.657 5.402 1.939 74 2HG GLU 9 1HG GLU 9 -11.693 4.123 1.305 75 H VAL 10 H VAL 10 -11.268 2.598 5.476 76 HA VAL 10 HA VAL 10 -9.331 1.494 7.260 77 HB VAL 10 HB VAL 10 -12.097 0.440 6.636 78 1HG1 VAL 10 1HG1 VAL 10 -10.293 0.006 9.015 79 2HG1 VAL 10 2HG1 VAL 10 -10.692 -1.186 7.781 80 3HG1 VAL 10 3HG1 VAL 10 -11.947 -0.586 8.864 81 1HG2 VAL 10 1HG2 VAL 10 -12.206 2.765 7.348 82 2HG2 VAL 10 2HG2 VAL 10 -11.220 2.388 8.760 83 3HG2 VAL 10 3HG2 VAL 10 -12.834 1.696 8.603 84 H LEU 11 H LEU 11 -7.727 0.393 6.312 85 HA LEU 11 HA LEU 11 -8.430 -1.683 4.353 86 1HB LEU 11 2HB LEU 11 -5.804 -0.254 4.768 87 2HB LEU 11 1HB LEU 11 -6.116 -1.481 3.555 88 HG LEU 11 HG LEU 11 -7.524 1.187 3.680 89 1HD1 LEU 11 1HD1 LEU 11 -5.182 1.509 3.162 90 2HD1 LEU 11 2HD1 LEU 11 -6.174 1.781 1.728 91 3HD1 LEU 11 3HD1 LEU 11 -5.272 0.275 1.904 92 1HD2 LEU 11 1HD2 LEU 11 -8.301 0.609 1.437 93 2HD2 LEU 11 2HD2 LEU 11 -8.851 -0.567 2.630 94 3HD2 LEU 11 3HD2 LEU 11 -7.504 -0.959 1.562 95 H ALA 12 H ALA 12 -8.199 -3.725 4.948 96 HA ALA 12 HA ALA 12 -6.348 -4.381 7.133 97 1HB ALA 12 1HB ALA 12 -8.594 -4.197 8.080 98 2HB ALA 12 2HB ALA 12 -8.004 -5.859 8.137 99 3HB ALA 12 3HB ALA 12 -9.184 -5.385 6.913 100 H CYS 13 H CYS 13 -5.642 -6.563 7.173 101 HA CYS 13 HA CYS 13 -5.038 -7.671 4.668 102 1HB CYS 13 2HB CYS 13 -3.636 -8.089 6.601 103 2HB CYS 13 1HB CYS 13 -4.957 -8.904 7.430 104 HG CYS 13 HG CYS 13 -3.215 -10.036 4.715 105 HA PRO 14 HA PRO 14 -8.822 -9.723 3.621 106 1HB PRO 14 2HB PRO 14 -7.733 -11.596 1.912 107 2HB PRO 14 1HB PRO 14 -8.124 -9.934 1.461 108 1HG PRO 14 2HG PRO 14 -5.490 -11.119 2.240 109 2HG PRO 14 1HG PRO 14 -5.859 -9.935 0.972 110 1HD PRO 14 2HD PRO 14 -4.790 -9.190 3.315 111 2HD PRO 14 1HD PRO 14 -5.982 -8.176 2.473 112 H LYS 15 H LYS 15 -6.004 -11.542 4.705 113 HA LYS 15 HA LYS 15 -7.639 -13.879 5.305 114 1HB LYS 15 2HB LYS 15 -5.407 -14.207 4.294 115 2HB LYS 15 1HB LYS 15 -4.670 -13.441 5.695 116 1HG LYS 15 2HG LYS 15 -5.670 -15.233 7.115 117 2HG LYS 15 1HG LYS 15 -6.191 -16.039 5.636 118 1HD LYS 15 2HD LYS 15 -3.341 -15.389 6.386 119 2HD LYS 15 1HD LYS 15 -4.101 -16.974 6.513 120 1HE LYS 15 2HE LYS 15 -4.519 -16.857 4.035 121 2HE LYS 15 1HE LYS 15 -3.514 -15.406 4.014 122 1HZ LYS 15 1HZ LYS 15 -2.244 -17.390 3.438 123 2HZ LYS 15 2HZ LYS 15 -2.635 -18.096 4.925 124 3HZ LYS 15 3HZ LYS 15 -1.671 -16.698 4.878 125 H ASP 16 H ASP 16 -5.492 -11.628 7.032 126 HA ASP 16 HA ASP 16 -6.156 -12.850 9.568 127 1HB ASP 16 2HB ASP 16 -3.857 -12.212 9.137 128 2HB ASP 16 1HB ASP 16 -4.339 -10.545 8.850 129 H LYS 17 H LYS 17 -7.173 -10.119 7.744 130 HA LYS 17 HA LYS 17 -8.634 -8.436 8.094 131 1HB LYS 17 2HB LYS 17 -9.451 -10.326 10.255 132 2HB LYS 17 1HB LYS 17 -10.082 -8.687 10.300 133 1HG LYS 17 2HG LYS 17 -11.674 -10.036 9.185 134 2HG LYS 17 1HG LYS 17 -10.900 -9.020 7.971 135 1HD LYS 17 2HD LYS 17 -9.508 -10.867 7.264 136 2HD LYS 17 1HD LYS 17 -10.175 -11.894 8.538 137 1HE LYS 17 2HE LYS 17 -12.427 -11.573 7.501 138 2HE LYS 17 1HE LYS 17 -11.632 -10.731 6.170 139 1HZ LYS 17 1HZ LYS 17 -10.432 -12.698 5.615 140 2HZ LYS 17 2HZ LYS 17 -12.076 -13.109 5.731 141 3HZ LYS 17 3HZ LYS 17 -11.009 -13.514 6.984 142 H GLY 18 H GLY 18 -5.922 -8.711 9.591 143 1HA GLY 18 2HA GLY 18 -6.245 -6.819 11.741 144 2HA GLY 18 1HA GLY 18 -4.728 -7.477 11.142 145 HA PRO 19 HA PRO 19 -5.899 -3.053 9.496 146 1HB PRO 19 2HB PRO 19 -4.190 -2.064 11.697 147 2HB PRO 19 1HB PRO 19 -5.735 -1.443 11.110 148 1HG PRO 19 2HG PRO 19 -5.562 -2.738 13.444 149 2HG PRO 19 1HG PRO 19 -6.968 -2.933 12.378 150 1HD PRO 19 2HD PRO 19 -4.639 -4.767 12.796 151 2HD PRO 19 1HD PRO 19 -6.362 -5.158 12.603 152 H LEU 20 H LEU 20 -4.631 -2.624 7.839 153 HA LEU 20 HA LEU 20 -1.869 -3.506 7.811 154 1HB LEU 20 2HB LEU 20 -3.523 -2.109 5.700 155 2HB LEU 20 1HB LEU 20 -1.931 -2.799 5.450 156 HG LEU 20 HG LEU 20 -4.388 -4.382 6.207 157 1HD1 LEU 20 1HD1 LEU 20 -4.597 -3.458 3.963 158 2HD1 LEU 20 2HD1 LEU 20 -4.336 -5.201 3.906 159 3HD1 LEU 20 3HD1 LEU 20 -3.008 -4.099 3.541 160 1HD2 LEU 20 1HD2 LEU 20 -3.021 -6.322 5.671 161 2HD2 LEU 20 2HD2 LEU 20 -2.298 -5.382 6.975 162 3HD2 LEU 20 3HD2 LEU 20 -1.641 -5.273 5.342 163 H ARG 21 H ARG 21 -0.074 -2.195 7.792 164 HA ARG 21 HA ARG 21 -0.492 0.569 8.567 165 1HB ARG 21 2HB ARG 21 1.250 -0.844 9.664 166 2HB ARG 21 1HB ARG 21 2.113 -0.912 8.132 167 1HG ARG 21 2HG ARG 21 2.410 1.503 8.177 168 2HG ARG 21 1HG ARG 21 1.507 1.595 9.688 169 1HD ARG 21 2HD ARG 21 4.109 0.128 9.275 170 2HD ARG 21 1HD ARG 21 3.930 1.698 10.054 171 HE ARG 21 HE ARG 21 3.208 -0.907 11.158 172 1HH1 ARG 21 1HH1 ARG 21 3.095 2.586 11.510 173 2HH1 ARG 21 2HH1 ARG 21 2.903 2.515 13.240 174 1HH2 ARG 21 1HH2 ARG 21 2.948 -0.989 13.417 175 2HH2 ARG 21 2HH2 ARG 21 2.795 0.505 14.317 176 H TYR 22 H TYR 22 -0.433 2.239 7.214 177 HA TYR 22 HA TYR 22 -0.150 1.650 4.388 178 1HB TYR 22 2HB TYR 22 -2.053 3.000 5.421 179 2HB TYR 22 1HB TYR 22 -0.889 4.301 5.642 180 HD1 TYR 22 1HD TYR 22 0.342 5.123 3.492 181 HD2 TYR 22 2HD TYR 22 -3.247 2.837 3.438 182 HE1 TYR 22 1HE TYR 22 -0.121 5.911 1.210 183 HE2 TYR 22 2HE TYR 22 -3.711 3.615 1.154 184 HH TYR 22 HH TYR 22 -1.415 5.163 -0.775 185 H LEU 23 H LEU 23 1.850 1.697 3.591 186 HA LEU 23 HA LEU 23 3.743 3.746 4.439 187 1HB LEU 23 2HB LEU 23 3.924 1.361 2.614 188 2HB LEU 23 1HB LEU 23 5.148 2.610 2.568 189 HG LEU 23 HG LEU 23 5.910 0.775 3.930 190 1HD1 LEU 23 1HD1 LEU 23 6.394 1.966 6.018 191 2HD1 LEU 23 2HD1 LEU 23 5.185 3.178 5.594 192 3HD1 LEU 23 3HD1 LEU 23 6.625 2.981 4.595 193 1HD2 LEU 23 1HD2 LEU 23 4.776 0.149 6.013 194 2HD2 LEU 23 2HD2 LEU 23 3.780 -0.173 4.595 195 3HD2 LEU 23 3HD2 LEU 23 3.444 1.232 5.604 196 H GLU 24 H GLU 24 3.241 5.685 3.677 197 HA GLU 24 HA GLU 24 1.638 6.103 1.384 198 1HB GLU 24 2HB GLU 24 3.364 8.124 2.822 199 2HB GLU 24 1HB GLU 24 1.951 8.458 1.828 200 1HG GLU 24 2HG GLU 24 0.508 7.396 3.434 201 2HG GLU 24 1HG GLU 24 1.894 6.889 4.396 202 H SER 25 H SER 25 5.087 6.393 1.988 203 HA SER 25 HA SER 25 5.829 7.729 -0.341 204 1HB SER 25 2HB SER 25 7.519 5.725 1.156 205 2HB SER 25 1HB SER 25 8.067 7.130 0.237 206 HG SER 25 HG SER 25 7.040 8.460 1.787 207 H GLU 26 H GLU 26 5.207 4.317 0.196 208 HA GLU 26 HA GLU 26 6.218 3.750 -2.510 209 1HB GLU 26 2HB GLU 26 6.034 1.906 -0.129 210 2HB GLU 26 1HB GLU 26 6.560 1.426 -1.736 211 1HG GLU 26 2HG GLU 26 7.919 3.408 0.075 212 2HG GLU 26 1HG GLU 26 8.467 1.775 -0.303 213 H GLN 27 H GLN 27 3.403 4.167 -0.894 214 HA GLN 27 HA GLN 27 1.226 3.581 -1.230 215 1HB GLN 27 2HB GLN 27 2.311 2.560 -3.865 216 2HB GLN 27 1HB GLN 27 0.604 2.710 -3.483 217 1HG GLN 27 2HG GLN 27 2.563 4.994 -3.576 218 2HG GLN 27 1HG GLN 27 1.461 4.545 -4.876 219 1HE2 GLN 27 1HE2 GLN 27 1.795 6.058 -1.791 220 2HE2 GLN 27 2HE2 GLN 27 0.195 6.714 -1.711 221 H LEU 28 H LEU 28 2.699 1.833 0.331 222 HA LEU 28 HA LEU 28 1.782 -0.828 -0.544 223 1HB LEU 28 2HB LEU 28 4.206 -0.107 1.098 224 2HB LEU 28 1HB LEU 28 3.649 -1.746 0.828 225 HG LEU 28 HG LEU 28 4.631 0.152 -1.309 226 1HD1 LEU 28 1HD1 LEU 28 6.413 -0.658 0.157 227 2HD1 LEU 28 2HD1 LEU 28 6.536 -1.373 -1.452 228 3HD1 LEU 28 3HD1 LEU 28 5.883 -2.317 -0.112 229 1HD2 LEU 28 1HD2 LEU 28 3.766 -2.736 -1.474 230 2HD2 LEU 28 2HD2 LEU 28 4.497 -1.807 -2.781 231 3HD2 LEU 28 3HD2 LEU 28 2.911 -1.355 -2.157 232 H LEU 29 H LEU 29 0.768 -2.131 0.882 233 HA LEU 29 HA LEU 29 0.165 -1.034 3.557 234 1HB LEU 29 2HB LEU 29 -1.336 -3.045 1.870 235 2HB LEU 29 1HB LEU 29 -1.781 -2.586 3.501 236 HG LEU 29 HG LEU 29 -1.706 -0.680 1.163 237 1HD1 LEU 29 1HD1 LEU 29 -3.437 -2.382 0.864 238 2HD1 LEU 29 2HD1 LEU 29 -4.144 -0.810 1.227 239 3HD1 LEU 29 3HD1 LEU 29 -4.054 -2.044 2.480 240 1HD2 LEU 29 1HD2 LEU 29 -2.924 0.806 2.669 241 2HD2 LEU 29 2HD2 LEU 29 -1.348 0.381 3.337 242 3HD2 LEU 29 3HD2 LEU 29 -2.807 -0.393 3.958 243 H VAL 30 H VAL 30 1.421 -1.957 5.071 244 HA VAL 30 HA VAL 30 2.291 -4.734 4.600 245 HB VAL 30 HB VAL 30 3.641 -2.610 6.282 246 1HG1 VAL 30 1HG1 VAL 30 4.509 -5.416 5.585 247 2HG1 VAL 30 2HG1 VAL 30 4.030 -4.835 7.180 248 3HG1 VAL 30 3HG1 VAL 30 5.500 -4.219 6.422 249 1HG2 VAL 30 1HG2 VAL 30 3.803 -2.156 3.886 250 2HG2 VAL 30 2HG2 VAL 30 4.439 -3.780 3.619 251 3HG2 VAL 30 3HG2 VAL 30 5.369 -2.611 4.559 252 H ASN 31 H ASN 31 1.542 -6.242 5.913 253 HA ASN 31 HA ASN 31 0.306 -5.450 8.451 254 1HB ASN 31 2HB ASN 31 -1.058 -6.886 7.012 255 2HB ASN 31 1HB ASN 31 0.225 -8.089 6.957 256 1HD2 ASN 31 1HD2 ASN 31 -1.219 -9.636 7.774 257 2HD2 ASN 31 2HD2 ASN 31 -1.657 -9.671 9.445 258 H GLU 32 H GLU 32 1.495 -5.555 10.220 259 HA GLU 32 HA GLU 32 4.124 -6.668 10.161 260 1HB GLU 32 2HB GLU 32 2.504 -5.519 12.441 261 2HB GLU 32 1HB GLU 32 4.217 -5.918 12.528 262 1HG GLU 32 2HG GLU 32 4.717 -4.272 10.827 263 2HG GLU 32 1HG GLU 32 3.000 -3.924 10.634 264 H ARG 33 H ARG 33 1.077 -7.962 10.898 265 HA ARG 33 HA ARG 33 1.938 -9.902 12.823 266 1HB ARG 33 2HB ARG 33 -0.548 -9.811 11.111 267 2HB ARG 33 1HB ARG 33 -0.277 -10.921 12.447 268 1HG ARG 33 2HG ARG 33 -0.206 -9.083 14.008 269 2HG ARG 33 1HG ARG 33 -0.373 -7.921 12.688 270 1HD ARG 33 2HD ARG 33 -2.557 -8.855 12.141 271 2HD ARG 33 1HD ARG 33 -2.383 -10.037 13.436 272 HE ARG 33 HE ARG 33 -2.082 -7.552 14.614 273 1HH1 ARG 33 1HH1 ARG 33 -4.556 -9.210 12.771 274 2HH1 ARG 33 2HH1 ARG 33 -5.869 -8.445 13.623 275 1HH2 ARG 33 1HH2 ARG 33 -3.792 -6.524 15.691 276 2HH2 ARG 33 2HH2 ARG 33 -5.440 -6.886 15.260 277 H LEU 34 H LEU 34 1.855 -9.739 9.349 278 HA LEU 34 HA LEU 34 2.576 -12.595 9.224 279 1HB LEU 34 2HB LEU 34 1.062 -10.990 7.161 280 2HB LEU 34 1HB LEU 34 1.551 -12.664 6.981 281 HG LEU 34 HG LEU 34 -0.420 -11.601 9.002 282 1HD1 LEU 34 1HD1 LEU 34 -0.808 -13.286 6.533 283 2HD1 LEU 34 2HD1 LEU 34 -1.305 -11.607 6.741 284 3HD1 LEU 34 3HD1 LEU 34 -2.060 -12.876 7.705 285 1HD2 LEU 34 1HD2 LEU 34 -0.815 -13.920 9.586 286 2HD2 LEU 34 2HD2 LEU 34 0.878 -13.509 9.855 287 3HD2 LEU 34 3HD2 LEU 34 0.411 -14.443 8.434 288 H ASN 35 H ASN 35 3.690 -9.502 8.762 289 HA ASN 35 HA ASN 35 5.530 -8.577 7.801 290 1HB ASN 35 2HB ASN 35 6.465 -10.821 8.826 291 2HB ASN 35 1HB ASN 35 6.632 -11.285 7.134 292 1HD2 ASN 35 1HD2 ASN 35 8.009 -10.007 5.783 293 2HD2 ASN 35 2HD2 ASN 35 9.292 -9.069 6.468 294 H LEU 36 H LEU 36 3.229 -9.098 6.201 295 HA LEU 36 HA LEU 36 4.442 -9.556 3.553 296 1HB LEU 36 2HB LEU 36 1.612 -10.120 4.456 297 2HB LEU 36 1HB LEU 36 2.172 -10.253 2.801 298 HG LEU 36 HG LEU 36 3.168 -11.917 5.117 299 1HD1 LEU 36 1HD1 LEU 36 1.376 -12.643 2.803 300 2HD1 LEU 36 2HD1 LEU 36 0.861 -12.439 4.478 301 3HD1 LEU 36 3HD1 LEU 36 1.966 -13.744 4.046 302 1HD2 LEU 36 1HD2 LEU 36 3.739 -12.132 2.164 303 2HD2 LEU 36 2HD2 LEU 36 4.330 -13.214 3.425 304 3HD2 LEU 36 3HD2 LEU 36 4.864 -11.535 3.379 305 H ALA 37 H ALA 37 3.794 -8.201 1.849 306 HA ALA 37 HA ALA 37 2.450 -5.733 2.731 307 1HB ALA 37 1HB ALA 37 4.790 -5.965 0.843 308 2HB ALA 37 2HB ALA 37 4.849 -5.366 2.502 309 3HB ALA 37 3HB ALA 37 3.952 -4.477 1.270 310 H TYR 38 H TYR 38 0.886 -4.965 1.475 311 HA TYR 38 HA TYR 38 0.380 -6.269 -1.119 312 1HB TYR 38 2HB TYR 38 -1.548 -4.698 0.611 313 2HB TYR 38 1HB TYR 38 -1.947 -5.619 -0.835 314 HD1 TYR 38 1HD TYR 38 -1.315 -5.755 2.736 315 HD2 TYR 38 2HD TYR 38 -1.907 -8.103 -0.761 316 HE1 TYR 38 1HE TYR 38 -1.774 -7.718 4.140 317 HE2 TYR 38 2HE TYR 38 -2.361 -10.076 0.635 318 HH TYR 38 HH TYR 38 -1.852 -10.870 2.902 319 H ARG 39 H ARG 39 0.114 -4.973 -2.930 320 HA ARG 39 HA ARG 39 1.139 -2.252 -2.612 321 1HB ARG 39 2HB ARG 39 1.510 -2.367 -5.075 322 2HB ARG 39 1HB ARG 39 2.391 -3.587 -4.168 323 1HG ARG 39 2HG ARG 39 0.740 -5.264 -4.784 324 2HG ARG 39 1HG ARG 39 -0.194 -4.044 -5.648 325 1HD ARG 39 2HD ARG 39 1.139 -5.366 -7.194 326 2HD ARG 39 1HD ARG 39 1.680 -3.689 -7.175 327 HE ARG 39 HE ARG 39 3.632 -4.356 -5.998 328 1HH1 ARG 39 1HH1 ARG 39 1.596 -7.053 -6.967 329 2HH1 ARG 39 2HH1 ARG 39 2.881 -8.220 -6.865 330 1HH2 ARG 39 1HH2 ARG 39 5.323 -5.899 -5.910 331 2HH2 ARG 39 2HH2 ARG 39 4.984 -7.564 -6.275 332 H ILE 40 H ILE 40 0.065 -0.458 -3.339 333 HA ILE 40 HA ILE 40 -2.719 -0.870 -4.212 334 HB ILE 40 HB ILE 40 -1.474 1.605 -2.996 335 1HG1 ILE 40 2HG1 ILE 40 -3.373 -0.412 -1.773 336 2HG1 ILE 40 1HG1 ILE 40 -1.660 -0.267 -1.393 337 1HG2 ILE 40 1HG2 ILE 40 -3.779 2.418 -2.830 338 2HG2 ILE 40 2HG2 ILE 40 -4.350 0.971 -3.661 339 3HG2 ILE 40 3HG2 ILE 40 -3.314 2.121 -4.505 340 1HD1 ILE 40 1HD1 ILE 40 -3.001 0.780 0.319 341 2HD1 ILE 40 2HD1 ILE 40 -3.778 1.809 -0.883 342 3HD1 ILE 40 3HD1 ILE 40 -2.056 1.996 -0.540 343 H ASP 41 H ASP 41 -3.237 -0.327 -6.251 344 HA ASP 41 HA ASP 41 -1.422 1.529 -7.660 345 1HB ASP 41 2HB ASP 41 -1.347 -0.832 -8.500 346 2HB ASP 41 1HB ASP 41 -3.047 -0.683 -8.930 347 H ASP 42 H ASP 42 -2.565 3.337 -7.178 348 HA ASP 42 HA ASP 42 -4.172 4.921 -7.238 349 1HB ASP 42 2HB ASP 42 -3.372 4.947 -9.572 350 2HB ASP 42 1HB ASP 42 -4.648 3.810 -10.007 351 H GLY 43 H GLY 43 -5.353 3.673 -5.607 352 1HA GLY 43 2HA GLY 43 -7.548 3.600 -4.808 353 2HA GLY 43 1HA GLY 43 -8.127 3.630 -6.465 354 H ILE 44 H ILE 44 -6.020 1.309 -6.803 355 HA ILE 44 HA ILE 44 -7.913 -0.774 -5.948 356 HB ILE 44 HB ILE 44 -5.791 -0.911 -8.102 357 1HG1 ILE 44 2HG1 ILE 44 -8.813 -0.790 -8.299 358 2HG1 ILE 44 1HG1 ILE 44 -7.702 0.508 -8.728 359 1HG2 ILE 44 1HG2 ILE 44 -6.830 -3.081 -8.672 360 2HG2 ILE 44 2HG2 ILE 44 -7.858 -2.937 -7.244 361 3HG2 ILE 44 3HG2 ILE 44 -6.109 -3.076 -7.061 362 1HD1 ILE 44 1HD1 ILE 44 -6.763 -0.898 -10.500 363 2HD1 ILE 44 2HD1 ILE 44 -8.494 -0.635 -10.707 364 3HD1 ILE 44 3HD1 ILE 44 -7.904 -2.175 -10.079 365 HA PRO 45 HA PRO 45 -4.489 -1.880 -3.206 366 1HB PRO 45 2HB PRO 45 -6.428 -3.137 -1.514 367 2HB PRO 45 1HB PRO 45 -5.552 -1.634 -1.224 368 1HG PRO 45 2HG PRO 45 -8.275 -1.805 -1.659 369 2HG PRO 45 1HG PRO 45 -7.300 -0.349 -1.913 370 1HD PRO 45 2HD PRO 45 -8.284 -2.343 -3.909 371 2HD PRO 45 1HD PRO 45 -8.150 -0.575 -4.048 372 H VAL 46 H VAL 46 -3.407 -3.560 -4.062 373 HA VAL 46 HA VAL 46 -4.736 -5.935 -4.977 374 HB VAL 46 HB VAL 46 -1.774 -5.429 -4.595 375 1HG1 VAL 46 1HG1 VAL 46 -1.462 -7.255 -6.197 376 2HG1 VAL 46 2HG1 VAL 46 -3.204 -7.530 -6.220 377 3HG1 VAL 46 3HG1 VAL 46 -2.289 -7.805 -4.737 378 1HG2 VAL 46 1HG2 VAL 46 -3.522 -5.088 -7.026 379 2HG2 VAL 46 2HG2 VAL 46 -1.763 -4.964 -7.016 380 3HG2 VAL 46 3HG2 VAL 46 -2.734 -3.803 -6.108 381 H LEU 47 H LEU 47 -5.795 -6.725 -3.165 382 HA LEU 47 HA LEU 47 -4.176 -7.519 -0.869 383 1HB LEU 47 2HB LEU 47 -7.165 -7.587 -1.295 384 2HB LEU 47 1HB LEU 47 -6.347 -8.016 0.196 385 HG LEU 47 HG LEU 47 -6.336 -5.273 -1.067 386 1HD1 LEU 47 1HD1 LEU 47 -7.789 -6.343 1.342 387 2HD1 LEU 47 2HD1 LEU 47 -8.520 -5.848 -0.183 388 3HD1 LEU 47 3HD1 LEU 47 -7.737 -4.651 0.852 389 1HD2 LEU 47 1HD2 LEU 47 -5.284 -4.564 1.020 390 2HD2 LEU 47 2HD2 LEU 47 -4.287 -5.757 0.188 391 3HD2 LEU 47 3HD2 LEU 47 -5.256 -6.234 1.582 392 H LEU 48 H LEU 48 -3.675 -8.852 -3.232 393 HA LEU 48 HA LEU 48 -4.998 -11.424 -3.118 394 1HB LEU 48 2HB LEU 48 -2.823 -10.263 -4.839 395 2HB LEU 48 1HB LEU 48 -3.171 -11.980 -4.861 396 HG LEU 48 HG LEU 48 -4.276 -10.938 -6.717 397 1HD1 LEU 48 1HD1 LEU 48 -5.463 -12.755 -5.648 398 2HD1 LEU 48 2HD1 LEU 48 -6.598 -11.564 -6.280 399 3HD1 LEU 48 3HD1 LEU 48 -6.255 -11.625 -4.551 400 1HD2 LEU 48 1HD2 LEU 48 -5.956 -9.199 -6.456 401 2HD2 LEU 48 2HD2 LEU 48 -4.387 -8.655 -5.863 402 3HD2 LEU 48 3HD2 LEU 48 -5.642 -9.137 -4.721 403 H ILE 49 H ILE 49 -4.230 -13.211 -2.126 404 HA ILE 49 HA ILE 49 -2.206 -12.745 -0.131 405 HB ILE 49 HB ILE 49 -3.735 -15.286 -0.716 406 1HG1 ILE 49 2HG1 ILE 49 -4.342 -13.066 1.248 407 2HG1 ILE 49 1HG1 ILE 49 -5.216 -13.352 -0.252 408 1HG2 ILE 49 1HG2 ILE 49 -2.263 -14.377 1.754 409 2HG2 ILE 49 2HG2 ILE 49 -1.739 -15.642 0.643 410 3HG2 ILE 49 3HG2 ILE 49 -3.200 -15.863 1.605 411 1HD1 ILE 49 1HD1 ILE 49 -6.454 -14.208 1.638 412 2HD1 ILE 49 2HD1 ILE 49 -5.077 -15.204 2.115 413 3HD1 ILE 49 3HD1 ILE 49 -5.926 -15.537 0.606 414 H ASP 50 H ASP 50 -2.499 -14.590 -3.104 415 HA ASP 50 HA ASP 50 0.006 -15.964 -2.723 416 1HB ASP 50 2HB ASP 50 -1.766 -17.059 -3.983 417 2HB ASP 50 1HB ASP 50 -1.784 -15.747 -5.156 418 H GLU 51 H GLU 51 -1.074 -13.029 -4.197 419 HA GLU 51 HA GLU 51 1.365 -12.667 -5.718 420 1HB GLU 51 2HB GLU 51 -0.911 -11.931 -6.526 421 2HB GLU 51 1HB GLU 51 -0.867 -10.681 -5.293 422 1HG GLU 51 2HG GLU 51 1.072 -9.683 -6.312 423 2HG GLU 51 1HG GLU 51 1.152 -10.983 -7.502 424 H ALA 52 H ALA 52 0.180 -11.935 -2.599 425 HA ALA 52 HA ALA 52 1.544 -9.567 -1.989 426 1HB ALA 52 1HB ALA 52 0.867 -11.857 -0.148 427 2HB ALA 52 2HB ALA 52 -0.194 -10.513 -0.558 428 3HB ALA 52 3HB ALA 52 1.286 -10.218 0.351 429 H THR 53 H THR 53 3.537 -9.160 -1.050 430 HA THR 53 HA THR 53 5.482 -11.369 -1.176 431 HB THR 53 HB THR 53 7.166 -9.550 -1.757 432 HG1 THR 53 1HG THR 53 5.385 -7.895 -1.237 433 1HG2 THR 53 1HG2 THR 53 6.355 -11.183 -3.394 434 2HG2 THR 53 2HG2 THR 53 6.635 -9.610 -4.141 435 3HG2 THR 53 3HG2 THR 53 4.991 -10.131 -3.766 436 H GLU 54 H GLU 54 6.983 -11.462 0.502 437 HA GLU 54 HA GLU 54 6.313 -10.024 2.882 438 1HB GLU 54 2HB GLU 54 8.319 -11.214 3.839 439 2HB GLU 54 1HB GLU 54 7.064 -12.256 3.190 440 1HG GLU 54 2HG GLU 54 8.426 -12.423 1.092 441 2HG GLU 54 1HG GLU 54 9.719 -11.588 1.950 442 H TRP 55 H TRP 55 7.072 -8.154 3.565 443 HA TRP 55 HA TRP 55 9.280 -6.937 2.050 444 1HB TRP 55 2HB TRP 55 7.220 -5.753 1.645 445 2HB TRP 55 1HB TRP 55 6.857 -5.689 3.365 446 HD1 TRP 55 HD TRP 55 7.778 -3.683 4.704 447 HE1 TRP 55 1HE TRP 55 9.171 -1.603 4.116 448 HE3 TRP 55 3HE TRP 55 9.211 -4.988 -0.022 449 HZ2 TRP 55 2HZ TRP 55 10.669 -0.641 1.930 450 HZ3 TRP 55 3HZ TRP 55 10.622 -3.428 -1.296 451 HH2 TRP 55 HH TRP 55 11.335 -1.300 -0.337 452 H THR 56 H THR 56 11.058 -6.545 3.118 453 HA THR 56 HA THR 56 12.590 -6.364 4.766 454 HB THR 56 HB THR 56 10.354 -5.032 6.284 455 HG1 THR 56 1HG THR 56 10.660 -3.966 4.334 456 1HG2 THR 56 1HG2 THR 56 13.354 -4.799 6.562 457 2HG2 THR 56 2HG2 THR 56 12.267 -5.590 7.705 458 3HG2 THR 56 3HG2 THR 56 12.163 -3.847 7.453 459 HA PRO 57 HA PRO 57 11.177 -10.173 6.904 460 1HB PRO 57 2HB PRO 57 14.023 -10.863 6.627 461 2HB PRO 57 1HB PRO 57 12.595 -11.766 6.113 462 1HG PRO 57 2HG PRO 57 14.223 -10.565 4.344 463 2HG PRO 57 1HG PRO 57 12.472 -10.677 4.084 464 1HD PRO 57 2HD PRO 57 14.102 -8.352 5.036 465 2HD PRO 57 1HD PRO 57 12.737 -8.383 3.901 466 H ASN 58 H ASN 58 10.883 -8.908 8.796 467 HA ASN 58 HA ASN 58 13.052 -8.072 10.424 468 1HB ASN 58 2HB ASN 58 10.752 -7.094 10.544 469 2HB ASN 58 1HB ASN 58 10.195 -8.605 11.253 470 1HD2 ASN 58 1HD2 ASN 58 13.193 -6.819 11.865 471 2HD2 ASN 58 2HD2 ASN 58 12.870 -6.540 13.545 472 H ASN 59 H ASN 59 11.070 -10.857 10.229 473 HA ASN 59 HA ASN 59 12.629 -12.183 12.344 474 1HB ASN 59 2HB ASN 59 10.720 -13.616 12.762 475 2HB ASN 59 1HB ASN 59 10.191 -11.940 12.826 476 1HD2 ASN 59 1HD2 ASN 59 8.685 -14.412 12.331 477 2HD2 ASN 59 2HD2 ASN 59 7.892 -14.175 10.808 478 H LEU 60 H LEU 60 13.464 -14.215 11.955 479 HA LEU 60 HA LEU 60 13.448 -15.086 9.160 480 1HB LEU 60 2HB LEU 60 15.440 -16.268 9.556 481 2HB LEU 60 1HB LEU 60 15.646 -14.736 10.373 482 HG LEU 60 HG LEU 60 14.847 -17.277 11.796 483 1HD1 LEU 60 1HD1 LEU 60 17.028 -17.583 10.770 484 2HD1 LEU 60 2HD1 LEU 60 17.181 -17.416 12.520 485 3HD1 LEU 60 3HD1 LEU 60 17.585 -16.060 11.465 486 1HD2 LEU 60 1HD2 LEU 60 15.810 -14.585 12.750 487 2HD2 LEU 60 2HD2 LEU 60 15.759 -16.024 13.768 488 3HD2 LEU 60 3HD2 LEU 60 14.265 -15.369 13.099 489 H GLU 61 H GLU 61 13.582 -17.578 8.961 490 HA GLU 61 HA GLU 61 12.517 -19.559 9.084 491 1HB GLU 61 2HB GLU 61 12.338 -18.799 11.996 492 2HB GLU 61 1HB GLU 61 11.770 -20.342 11.374 493 1HG GLU 61 2HG GLU 61 14.586 -19.299 11.197 494 2HG GLU 61 1HG GLU 61 13.998 -20.535 12.311 Start of MODEL 8 1 1H MET 1 1HT MET 1 -8.661 19.651 6.035 2 2H MET 1 2HT MET 1 -7.126 19.654 6.760 3 3H MET 1 3HT MET 1 -7.879 18.187 6.369 4 HA MET 1 HA MET 1 -7.741 18.650 4.040 5 1HB MET 1 2HB MET 1 -6.652 20.621 3.182 6 2HB MET 1 1HB MET 1 -7.940 21.118 4.267 7 1HG MET 1 2HG MET 1 -5.024 20.996 5.014 8 2HG MET 1 1HG MET 1 -5.859 22.449 4.470 9 1HE MET 1 1HE MET 1 -5.340 23.211 8.262 10 2HE MET 1 2HE MET 1 -5.171 23.821 6.615 11 3HE MET 1 3HE MET 1 -4.228 22.424 7.137 12 H SER 2 H SER 2 -6.251 17.416 6.329 13 HA SER 2 HA SER 2 -3.474 17.563 5.440 14 1HB SER 2 2HB SER 2 -4.622 15.869 7.670 15 2HB SER 2 1HB SER 2 -2.936 16.336 7.434 16 HG SER 2 HG SER 2 -3.498 18.475 7.892 17 H LEU 3 H LEU 3 -2.620 16.125 4.063 18 HA LEU 3 HA LEU 3 -2.405 14.351 2.659 19 1HB LEU 3 2HB LEU 3 -3.754 13.008 4.989 20 2HB LEU 3 1HB LEU 3 -3.311 12.117 3.550 21 HG LEU 3 HG LEU 3 -1.609 11.743 5.165 22 1HD1 LEU 3 1HD1 LEU 3 -0.655 13.756 3.140 23 2HD1 LEU 3 2HD1 LEU 3 -0.785 12.010 2.917 24 3HD1 LEU 3 3HD1 LEU 3 0.382 12.669 4.064 25 1HD2 LEU 3 1HD2 LEU 3 -1.377 14.735 5.446 26 2HD2 LEU 3 2HD2 LEU 3 -0.331 13.545 6.219 27 3HD2 LEU 3 3HD2 LEU 3 -2.040 13.624 6.644 28 H ASP 4 H ASP 4 -3.974 12.288 1.914 29 HA ASP 4 HA ASP 4 -6.534 13.533 1.164 30 1HB ASP 4 2HB ASP 4 -5.026 13.092 -0.776 31 2HB ASP 4 1HB ASP 4 -5.084 11.375 -0.383 32 HA PRO 5 HA PRO 5 -7.585 10.191 4.100 33 1HB PRO 5 2HB PRO 5 -10.078 11.785 4.200 34 2HB PRO 5 1HB PRO 5 -9.054 11.214 5.522 35 1HG PRO 5 2HG PRO 5 -9.072 13.786 4.838 36 2HG PRO 5 1HG PRO 5 -7.562 12.979 5.302 37 1HD PRO 5 2HD PRO 5 -8.584 13.650 2.564 38 2HD PRO 5 1HD PRO 5 -6.945 13.826 3.228 39 H GLN 6 H GLN 6 -8.890 11.205 1.136 40 HA GLN 6 HA GLN 6 -11.156 9.469 1.042 41 1HB GLN 6 2HB GLN 6 -10.946 11.547 -0.302 42 2HB GLN 6 1HB GLN 6 -9.651 10.793 -1.221 43 1HG GLN 6 2HG GLN 6 -11.199 9.098 -2.029 44 2HG GLN 6 1HG GLN 6 -12.500 9.833 -1.092 45 1HE2 GLN 6 1HE2 GLN 6 -10.397 10.174 -3.835 46 2HE2 GLN 6 2HE2 GLN 6 -11.308 11.420 -4.620 47 H LEU 7 H LEU 7 -7.758 9.186 0.292 48 HA LEU 7 HA LEU 7 -8.027 6.676 -1.098 49 1HB LEU 7 2HB LEU 7 -5.658 8.148 0.046 50 2HB LEU 7 1HB LEU 7 -5.516 6.583 -0.730 51 HG LEU 7 HG LEU 7 -6.585 9.062 -2.082 52 1HD1 LEU 7 1HD1 LEU 7 -4.220 9.303 -1.506 53 2HD1 LEU 7 2HD1 LEU 7 -4.452 9.140 -3.248 54 3HD1 LEU 7 3HD1 LEU 7 -3.873 7.769 -2.302 55 1HD2 LEU 7 1HD2 LEU 7 -6.278 7.742 -4.134 56 2HD2 LEU 7 2HD2 LEU 7 -7.450 7.005 -3.041 57 3HD2 LEU 7 3HD2 LEU 7 -5.817 6.349 -3.154 58 H LEU 8 H LEU 8 -8.329 7.546 2.092 59 HA LEU 8 HA LEU 8 -7.068 5.139 3.165 60 1HB LEU 8 2HB LEU 8 -8.345 7.472 4.596 61 2HB LEU 8 1HB LEU 8 -7.503 6.141 5.365 62 HG LEU 8 HG LEU 8 -6.240 8.144 3.491 63 1HD1 LEU 8 1HD1 LEU 8 -6.860 9.143 5.618 64 2HD1 LEU 8 2HD1 LEU 8 -5.109 8.967 5.494 65 3HD1 LEU 8 3HD1 LEU 8 -6.040 7.841 6.482 66 1HD2 LEU 8 1HD2 LEU 8 -5.156 5.974 3.361 67 2HD2 LEU 8 2HD2 LEU 8 -5.037 5.906 5.119 68 3HD2 LEU 8 3HD2 LEU 8 -4.125 7.119 4.222 69 H GLU 9 H GLU 9 -8.281 3.396 3.050 70 HA GLU 9 HA GLU 9 -11.101 3.555 3.888 71 1HB GLU 9 2HB GLU 9 -9.704 1.687 1.972 72 2HB GLU 9 1HB GLU 9 -11.297 1.342 2.626 73 1HG GLU 9 2HG GLU 9 -10.637 3.838 1.089 74 2HG GLU 9 1HG GLU 9 -11.272 2.366 0.352 75 H VAL 10 H VAL 10 -11.715 1.057 4.573 76 HA VAL 10 HA VAL 10 -10.199 0.560 6.952 77 HB VAL 10 HB VAL 10 -12.342 -1.154 5.678 78 1HG1 VAL 10 1HG1 VAL 10 -12.585 -2.122 7.926 79 2HG1 VAL 10 2HG1 VAL 10 -11.211 -1.161 8.474 80 3HG1 VAL 10 3HG1 VAL 10 -10.981 -2.409 7.251 81 1HG2 VAL 10 1HG2 VAL 10 -13.857 -0.115 7.305 82 2HG2 VAL 10 2HG2 VAL 10 -13.173 1.077 6.199 83 3HG2 VAL 10 3HG2 VAL 10 -12.550 0.938 7.843 84 H LEU 11 H LEU 11 -8.225 -0.303 6.831 85 HA LEU 11 HA LEU 11 -7.650 -2.154 4.625 86 1HB LEU 11 2HB LEU 11 -5.718 -0.550 6.298 87 2HB LEU 11 1HB LEU 11 -5.336 -1.476 4.857 88 HG LEU 11 HG LEU 11 -7.183 0.909 4.874 89 1HD1 LEU 11 1HD1 LEU 11 -4.906 1.549 5.517 90 2HD1 LEU 11 2HD1 LEU 11 -5.344 2.169 3.926 91 3HD1 LEU 11 3HD1 LEU 11 -4.283 0.768 4.066 92 1HD2 LEU 11 1HD2 LEU 11 -7.564 -0.660 3.044 93 2HD2 LEU 11 2HD2 LEU 11 -5.853 -0.600 2.622 94 3HD2 LEU 11 3HD2 LEU 11 -6.857 0.840 2.450 95 H ALA 12 H ALA 12 -7.945 -4.187 5.322 96 HA ALA 12 HA ALA 12 -6.262 -5.096 7.531 97 1HB ALA 12 1HB ALA 12 -8.508 -4.779 8.480 98 2HB ALA 12 2HB ALA 12 -8.033 -6.477 8.465 99 3HB ALA 12 3HB ALA 12 -9.168 -5.867 7.261 100 H CYS 13 H CYS 13 -5.631 -7.282 7.366 101 HA CYS 13 HA CYS 13 -5.279 -8.186 4.697 102 1HB CYS 13 2HB CYS 13 -4.790 -9.688 7.276 103 2HB CYS 13 1HB CYS 13 -4.113 -10.073 5.697 104 HG CYS 13 HG CYS 13 -3.381 -7.360 7.636 105 HA PRO 14 HA PRO 14 -8.907 -10.649 4.216 106 1HB PRO 14 2HB PRO 14 -8.146 -12.195 2.145 107 2HB PRO 14 1HB PRO 14 -8.473 -10.467 1.965 108 1HG PRO 14 2HG PRO 14 -5.850 -11.883 2.227 109 2HG PRO 14 1HG PRO 14 -6.303 -10.556 1.140 110 1HD PRO 14 2HD PRO 14 -4.912 -10.186 3.459 111 2HD PRO 14 1HD PRO 14 -5.983 -8.958 2.757 112 H LYS 15 H LYS 15 -6.057 -11.901 5.470 113 HA LYS 15 HA LYS 15 -7.133 -14.632 5.618 114 1HB LYS 15 2HB LYS 15 -4.355 -13.655 6.282 115 2HB LYS 15 1HB LYS 15 -4.897 -15.324 6.350 116 1HG LYS 15 2HG LYS 15 -5.420 -15.069 3.864 117 2HG LYS 15 1HG LYS 15 -4.447 -13.598 3.942 118 1HD LYS 15 2HD LYS 15 -3.547 -16.384 4.673 119 2HD LYS 15 1HD LYS 15 -3.085 -15.486 3.226 120 1HE LYS 15 2HE LYS 15 -1.886 -13.876 4.533 121 2HE LYS 15 1HE LYS 15 -2.510 -14.554 6.036 122 1HZ LYS 15 1HZ LYS 15 -0.235 -15.264 5.631 123 2HZ LYS 15 2HZ LYS 15 -0.679 -15.940 4.145 124 3HZ LYS 15 3HZ LYS 15 -1.286 -16.591 5.589 125 H ASP 16 H ASP 16 -5.103 -12.679 7.801 126 HA ASP 16 HA ASP 16 -6.446 -13.882 10.090 127 1HB ASP 16 2HB ASP 16 -4.632 -12.932 11.399 128 2HB ASP 16 1HB ASP 16 -3.962 -13.749 9.990 129 H LYS 17 H LYS 17 -6.758 -11.191 8.191 130 HA LYS 17 HA LYS 17 -8.048 -9.336 8.280 131 1HB LYS 17 2HB LYS 17 -9.540 -10.993 9.621 132 2HB LYS 17 1HB LYS 17 -9.016 -10.080 11.026 133 1HG LYS 17 2HG LYS 17 -11.140 -9.243 10.281 134 2HG LYS 17 1HG LYS 17 -9.904 -8.022 9.974 135 1HD LYS 17 2HD LYS 17 -9.796 -8.705 7.634 136 2HD LYS 17 1HD LYS 17 -11.003 -9.958 7.935 137 1HE LYS 17 2HE LYS 17 -12.617 -8.226 8.580 138 2HE LYS 17 1HE LYS 17 -11.414 -6.986 8.232 139 1HZ LYS 17 1HZ LYS 17 -12.978 -7.276 6.410 140 2HZ LYS 17 2HZ LYS 17 -12.533 -8.901 6.250 141 3HZ LYS 17 3HZ LYS 17 -11.403 -7.675 5.921 142 H GLY 18 H GLY 18 -5.336 -9.647 9.586 143 1HA GLY 18 2HA GLY 18 -5.227 -7.831 11.773 144 2HA GLY 18 1HA GLY 18 -3.861 -8.405 10.828 145 HA PRO 19 HA PRO 19 -5.451 -3.927 9.755 146 1HB PRO 19 2HB PRO 19 -3.581 -2.933 11.807 147 2HB PRO 19 1HB PRO 19 -5.244 -2.443 11.475 148 1HG PRO 19 2HG PRO 19 -4.611 -3.868 13.652 149 2HG PRO 19 1HG PRO 19 -6.140 -4.121 12.788 150 1HD PRO 19 2HD PRO 19 -3.622 -5.736 12.708 151 2HD PRO 19 1HD PRO 19 -5.310 -6.286 12.744 152 H LEU 20 H LEU 20 -4.402 -2.991 8.142 153 HA LEU 20 HA LEU 20 -1.618 -3.713 7.659 154 1HB LEU 20 2HB LEU 20 -3.735 -2.427 5.941 155 2HB LEU 20 1HB LEU 20 -2.078 -2.653 5.414 156 HG LEU 20 HG LEU 20 -3.830 -4.941 6.286 157 1HD1 LEU 20 1HD1 LEU 20 -4.882 -3.825 4.391 158 2HD1 LEU 20 2HD1 LEU 20 -4.210 -5.386 3.920 159 3HD1 LEU 20 3HD1 LEU 20 -3.362 -3.898 3.499 160 1HD2 LEU 20 1HD2 LEU 20 -2.207 -6.271 5.051 161 2HD2 LEU 20 2HD2 LEU 20 -1.419 -5.340 6.323 162 3HD2 LEU 20 3HD2 LEU 20 -1.303 -4.814 4.643 163 H ARG 21 H ARG 21 0.046 -2.312 7.739 164 HA ARG 21 HA ARG 21 -0.459 0.397 8.633 165 1HB ARG 21 2HB ARG 21 1.475 -1.019 9.479 166 2HB ARG 21 1HB ARG 21 2.210 -0.828 7.891 167 1HG ARG 21 2HG ARG 21 2.020 1.673 8.264 168 2HG ARG 21 1HG ARG 21 1.644 1.289 9.943 169 1HD ARG 21 2HD ARG 21 4.157 0.540 8.456 170 2HD ARG 21 1HD ARG 21 4.007 1.808 9.668 171 HE ARG 21 HE ARG 21 4.143 -1.057 10.120 172 1HH1 ARG 21 1HH1 ARG 21 3.351 2.068 11.504 173 2HH1 ARG 21 2HH1 ARG 21 3.767 1.586 13.128 174 1HH2 ARG 21 1HH2 ARG 21 4.735 -1.671 12.243 175 2HH2 ARG 21 2HH2 ARG 21 4.566 -0.524 13.542 176 H TYR 22 H TYR 22 -0.422 2.172 7.383 177 HA TYR 22 HA TYR 22 -0.328 1.766 4.512 178 1HB TYR 22 2HB TYR 22 -2.115 3.107 5.772 179 2HB TYR 22 1HB TYR 22 -0.886 4.355 5.959 180 HD1 TYR 22 1HD TYR 22 -0.083 5.607 3.997 181 HD2 TYR 22 2HD TYR 22 -3.166 2.698 3.655 182 HE1 TYR 22 1HE TYR 22 -0.693 6.522 1.798 183 HE2 TYR 22 2HE TYR 22 -3.787 3.604 1.456 184 HH TYR 22 HH TYR 22 -1.841 5.731 -0.280 185 H LEU 23 H LEU 23 1.590 1.877 3.538 186 HA LEU 23 HA LEU 23 3.597 3.765 4.544 187 1HB LEU 23 2HB LEU 23 3.739 1.333 2.794 188 2HB LEU 23 1HB LEU 23 5.007 2.539 2.710 189 HG LEU 23 HG LEU 23 5.708 0.766 4.163 190 1HD1 LEU 23 1HD1 LEU 23 6.379 3.023 4.778 191 2HD1 LEU 23 2HD1 LEU 23 6.178 2.004 6.203 192 3HD1 LEU 23 3HD1 LEU 23 4.940 3.185 5.780 193 1HD2 LEU 23 1HD2 LEU 23 3.219 1.303 5.773 194 2HD2 LEU 23 2HD2 LEU 23 4.512 0.185 6.206 195 3HD2 LEU 23 3HD2 LEU 23 3.524 -0.121 4.778 196 H GLU 24 H GLU 24 3.457 5.718 3.696 197 HA GLU 24 HA GLU 24 2.066 6.254 1.260 198 1HB GLU 24 2HB GLU 24 3.902 8.264 2.490 199 2HB GLU 24 1HB GLU 24 2.320 8.499 1.764 200 1HG GLU 24 2HG GLU 24 1.759 8.812 3.932 201 2HG GLU 24 1HG GLU 24 1.562 7.062 3.861 202 H SER 25 H SER 25 5.223 5.300 1.934 203 HA SER 25 HA SER 25 6.874 6.729 0.277 204 1HB SER 25 2HB SER 25 7.082 3.737 0.594 205 2HB SER 25 1HB SER 25 8.387 4.905 0.400 206 HG SER 25 HG SER 25 7.291 5.774 2.500 207 H GLU 26 H GLU 26 5.220 3.691 -0.622 208 HA GLU 26 HA GLU 26 5.118 4.659 -3.387 209 1HB GLU 26 2HB GLU 26 6.244 2.032 -2.457 210 2HB GLU 26 1HB GLU 26 5.583 2.220 -4.073 211 1HG GLU 26 2HG GLU 26 7.183 4.113 -4.411 212 2HG GLU 26 1HG GLU 26 7.923 3.671 -2.872 213 H GLN 27 H GLN 27 3.203 4.395 -1.163 214 HA GLN 27 HA GLN 27 1.078 3.748 -0.734 215 1HB GLN 27 2HB GLN 27 0.927 3.008 -3.665 216 2HB GLN 27 1HB GLN 27 -0.418 3.380 -2.597 217 1HG GLN 27 2HG GLN 27 1.700 5.283 -3.569 218 2HG GLN 27 1HG GLN 27 0.005 5.247 -4.049 219 1HE2 GLN 27 1HE2 GLN 27 1.536 7.425 -2.884 220 2HE2 GLN 27 2HE2 GLN 27 0.725 7.859 -1.423 221 H LEU 28 H LEU 28 2.131 2.013 0.498 222 HA LEU 28 HA LEU 28 1.475 -0.641 -0.601 223 1HB LEU 28 2HB LEU 28 3.922 0.096 1.011 224 2HB LEU 28 1HB LEU 28 3.462 -1.539 0.578 225 HG LEU 28 HG LEU 28 4.178 0.625 -1.409 226 1HD1 LEU 28 1HD1 LEU 28 6.106 -0.029 -0.078 227 2HD1 LEU 28 2HD1 LEU 28 6.245 -0.648 -1.724 228 3HD1 LEU 28 3HD1 LEU 28 5.776 -1.728 -0.413 229 1HD2 LEU 28 1HD2 LEU 28 3.666 -2.329 -1.747 230 2HD2 LEU 28 2HD2 LEU 28 4.258 -1.245 -3.005 231 3HD2 LEU 28 3HD2 LEU 28 2.644 -1.014 -2.333 232 H LEU 29 H LEU 29 0.760 -2.172 0.898 233 HA LEU 29 HA LEU 29 0.070 -1.081 3.550 234 1HB LEU 29 2HB LEU 29 -1.383 -3.165 1.918 235 2HB LEU 29 1HB LEU 29 -1.842 -2.639 3.527 236 HG LEU 29 HG LEU 29 -1.831 -0.914 1.051 237 1HD1 LEU 29 1HD1 LEU 29 -4.103 -2.085 2.648 238 2HD1 LEU 29 2HD1 LEU 29 -3.613 -2.559 1.021 239 3HD1 LEU 29 3HD1 LEU 29 -4.264 -0.946 1.312 240 1HD2 LEU 29 1HD2 LEU 29 -1.297 0.365 3.043 241 2HD2 LEU 29 2HD2 LEU 29 -2.695 -0.313 3.875 242 3HD2 LEU 29 3HD2 LEU 29 -2.925 0.745 2.484 243 H VAL 30 H VAL 30 1.393 -1.937 5.032 244 HA VAL 30 HA VAL 30 2.304 -4.710 4.615 245 HB VAL 30 HB VAL 30 3.698 -2.543 6.201 246 1HG1 VAL 30 1HG1 VAL 30 4.618 -5.298 5.387 247 2HG1 VAL 30 2HG1 VAL 30 4.191 -4.780 7.019 248 3HG1 VAL 30 3HG1 VAL 30 5.597 -4.087 6.212 249 1HG2 VAL 30 1HG2 VAL 30 4.333 -3.617 3.453 250 2HG2 VAL 30 2HG2 VAL 30 5.328 -2.487 4.374 251 3HG2 VAL 30 3HG2 VAL 30 3.721 -2.004 3.827 252 H ASN 31 H ASN 31 1.464 -6.157 5.973 253 HA ASN 31 HA ASN 31 0.597 -5.272 8.628 254 1HB ASN 31 2HB ASN 31 -0.968 -6.722 7.435 255 2HB ASN 31 1HB ASN 31 0.279 -7.949 7.242 256 1HD2 ASN 31 1HD2 ASN 31 -1.328 -9.341 8.275 257 2HD2 ASN 31 2HD2 ASN 31 -1.441 -9.367 9.999 258 H GLU 32 H GLU 32 1.950 -5.378 10.247 259 HA GLU 32 HA GLU 32 4.584 -6.409 9.746 260 1HB GLU 32 2HB GLU 32 3.928 -4.242 10.963 261 2HB GLU 32 1HB GLU 32 3.609 -5.271 12.352 262 1HG GLU 32 2HG GLU 32 5.865 -5.942 12.493 263 2HG GLU 32 1HG GLU 32 6.242 -5.242 10.919 264 H ARG 33 H ARG 33 1.751 -7.596 11.232 265 HA ARG 33 HA ARG 33 3.029 -9.380 13.070 266 1HB ARG 33 2HB ARG 33 0.247 -9.629 11.909 267 2HB ARG 33 1HB ARG 33 0.852 -10.375 13.383 268 1HG ARG 33 2HG ARG 33 1.211 -8.037 14.269 269 2HG ARG 33 1HG ARG 33 0.280 -7.471 12.881 270 1HD ARG 33 2HD ARG 33 -1.256 -7.663 14.667 271 2HD ARG 33 1HD ARG 33 -1.545 -9.053 13.623 272 HE ARG 33 HE ARG 33 0.294 -9.535 15.809 273 1HH1 ARG 33 1HH1 ARG 33 -3.044 -9.642 14.745 274 2HH1 ARG 33 2HH1 ARG 33 -3.541 -10.754 15.981 275 1HH2 ARG 33 1HH2 ARG 33 -0.342 -10.987 17.429 276 2HH2 ARG 33 2HH2 ARG 33 -1.995 -11.533 17.519 277 H LEU 34 H LEU 34 2.245 -9.462 9.698 278 HA LEU 34 HA LEU 34 2.972 -12.315 9.564 279 1HB LEU 34 2HB LEU 34 1.561 -10.598 7.515 280 2HB LEU 34 1HB LEU 34 1.946 -12.297 7.325 281 HG LEU 34 HG LEU 34 0.021 -11.120 9.331 282 1HD1 LEU 34 1HD1 LEU 34 -1.671 -12.311 8.029 283 2HD1 LEU 34 2HD1 LEU 34 -0.431 -12.818 6.883 284 3HD1 LEU 34 3HD1 LEU 34 -0.829 -11.107 7.051 285 1HD2 LEU 34 1HD2 LEU 34 -0.515 -13.435 9.896 286 2HD2 LEU 34 2HD2 LEU 34 1.174 -13.064 10.252 287 3HD2 LEU 34 3HD2 LEU 34 0.760 -13.997 8.814 288 H ASN 35 H ASN 35 4.061 -9.178 8.873 289 HA ASN 35 HA ASN 35 5.936 -8.326 7.921 290 1HB ASN 35 2HB ASN 35 7.051 -10.259 9.074 291 2HB ASN 35 1HB ASN 35 6.863 -11.191 7.595 292 1HD2 ASN 35 1HD2 ASN 35 7.615 -7.773 7.680 293 2HD2 ASN 35 2HD2 ASN 35 9.210 -7.918 7.047 294 H LEU 36 H LEU 36 3.567 -9.116 6.402 295 HA LEU 36 HA LEU 36 4.781 -9.433 3.744 296 1HB LEU 36 2HB LEU 36 2.061 -10.327 4.696 297 2HB LEU 36 1HB LEU 36 2.604 -10.395 3.031 298 HG LEU 36 HG LEU 36 3.837 -11.913 5.331 299 1HD1 LEU 36 1HD1 LEU 36 1.629 -12.756 4.764 300 2HD1 LEU 36 2HD1 LEU 36 2.883 -13.887 4.247 301 3HD1 LEU 36 3HD1 LEU 36 2.088 -12.849 3.061 302 1HD2 LEU 36 1HD2 LEU 36 5.100 -13.073 3.576 303 2HD2 LEU 36 2HD2 LEU 36 5.477 -11.351 3.626 304 3HD2 LEU 36 3HD2 LEU 36 4.414 -11.986 2.369 305 H ALA 37 H ALA 37 3.896 -8.216 2.040 306 HA ALA 37 HA ALA 37 2.337 -5.876 2.930 307 1HB ALA 37 1HB ALA 37 3.639 -4.502 1.388 308 2HB ALA 37 2HB ALA 37 4.602 -5.911 0.945 309 3HB ALA 37 3HB ALA 37 4.677 -5.275 2.587 310 H TYR 38 H TYR 38 0.744 -5.170 1.649 311 HA TYR 38 HA TYR 38 0.154 -6.711 -0.779 312 1HB TYR 38 2HB TYR 38 -1.634 -5.067 1.021 313 2HB TYR 38 1HB TYR 38 -2.163 -5.769 -0.505 314 HD1 TYR 38 1HD TYR 38 -2.408 -8.185 -0.744 315 HD2 TYR 38 2HD TYR 38 -1.283 -6.463 2.980 316 HE1 TYR 38 1HE TYR 38 -2.931 -10.301 0.386 317 HE2 TYR 38 2HE TYR 38 -1.807 -8.578 4.122 318 HH TYR 38 HH TYR 38 -2.285 -11.481 2.463 319 H ARG 39 H ARG 39 -0.730 -5.488 -2.608 320 HA ARG 39 HA ARG 39 0.946 -3.112 -2.938 321 1HB ARG 39 2HB ARG 39 -0.235 -5.058 -4.917 322 2HB ARG 39 1HB ARG 39 0.662 -3.618 -5.381 323 1HG ARG 39 2HG ARG 39 2.669 -4.467 -4.659 324 2HG ARG 39 1HG ARG 39 1.912 -5.572 -3.510 325 1HD ARG 39 2HD ARG 39 2.900 -6.731 -5.448 326 2HD ARG 39 1HD ARG 39 1.165 -6.996 -5.303 327 HE ARG 39 HE ARG 39 1.469 -4.855 -7.027 328 1HH1 ARG 39 1HH1 ARG 39 2.531 -8.196 -6.913 329 2HH1 ARG 39 2HH1 ARG 39 2.471 -8.405 -8.639 330 1HH2 ARG 39 1HH2 ARG 39 1.383 -5.132 -9.291 331 2HH2 ARG 39 2HH2 ARG 39 1.787 -6.668 -9.993 332 H ILE 40 H ILE 40 0.159 -1.176 -3.559 333 HA ILE 40 HA ILE 40 -2.705 -1.014 -4.243 334 HB ILE 40 HB ILE 40 -0.988 1.136 -2.981 335 1HG1 ILE 40 2HG1 ILE 40 -3.273 -0.463 -1.803 336 2HG1 ILE 40 1HG1 ILE 40 -1.571 -0.667 -1.403 337 1HG2 ILE 40 1HG2 ILE 40 -3.057 2.425 -2.813 338 2HG2 ILE 40 2HG2 ILE 40 -3.931 1.140 -3.652 339 3HG2 ILE 40 3HG2 ILE 40 -2.673 2.047 -4.494 340 1HD1 ILE 40 1HD1 ILE 40 -3.226 1.793 -0.901 341 2HD1 ILE 40 2HD1 ILE 40 -1.519 1.603 -0.501 342 3HD1 ILE 40 3HD1 ILE 40 -2.729 0.605 0.304 343 H ASP 41 H ASP 41 -2.929 -0.721 -6.347 344 HA ASP 41 HA ASP 41 -0.829 0.783 -7.761 345 1HB ASP 41 2HB ASP 41 -1.065 -1.571 -8.478 346 2HB ASP 41 1HB ASP 41 -2.749 -1.263 -8.895 347 H ASP 42 H ASP 42 -1.605 2.809 -7.559 348 HA ASP 42 HA ASP 42 -2.830 4.664 -7.974 349 1HB ASP 42 2HB ASP 42 -2.120 4.016 -10.261 350 2HB ASP 42 1HB ASP 42 -3.632 3.138 -10.458 351 H GLY 43 H GLY 43 -4.182 4.044 -6.117 352 1HA GLY 43 2HA GLY 43 -6.296 4.307 -5.223 353 2HA GLY 43 1HA GLY 43 -6.936 4.399 -6.853 354 H ILE 44 H ILE 44 -5.269 1.627 -6.959 355 HA ILE 44 HA ILE 44 -7.619 0.064 -6.124 356 HB ILE 44 HB ILE 44 -5.483 -0.714 -8.122 357 1HG1 ILE 44 2HG1 ILE 44 -8.359 0.099 -8.594 358 2HG1 ILE 44 1HG1 ILE 44 -6.966 1.124 -8.905 359 1HG2 ILE 44 1HG2 ILE 44 -6.982 -2.580 -8.656 360 2HG2 ILE 44 2HG2 ILE 44 -8.067 -2.067 -7.365 361 3HG2 ILE 44 3HG2 ILE 44 -6.443 -2.633 -6.977 362 1HD1 ILE 44 1HD1 ILE 44 -7.600 -1.477 -10.269 363 2HD1 ILE 44 2HD1 ILE 44 -6.162 -0.502 -10.559 364 3HD1 ILE 44 3HD1 ILE 44 -7.758 0.139 -10.956 365 HA PRO 45 HA PRO 45 -4.622 -1.562 -3.122 366 1HB PRO 45 2HB PRO 45 -6.919 -2.221 -1.503 367 2HB PRO 45 1HB PRO 45 -5.663 -1.023 -1.183 368 1HG PRO 45 2HG PRO 45 -8.272 -0.394 -1.740 369 2HG PRO 45 1HG PRO 45 -6.904 0.688 -2.052 370 1HD PRO 45 2HD PRO 45 -8.394 -1.083 -3.952 371 2HD PRO 45 1HD PRO 45 -7.774 0.563 -4.197 372 H VAL 46 H VAL 46 -3.947 -3.452 -3.940 373 HA VAL 46 HA VAL 46 -5.845 -5.518 -4.683 374 HB VAL 46 HB VAL 46 -2.823 -5.628 -4.783 375 1HG1 VAL 46 1HG1 VAL 46 -3.849 -7.814 -4.901 376 2HG1 VAL 46 2HG1 VAL 46 -3.211 -7.374 -6.485 377 3HG1 VAL 46 3HG1 VAL 46 -4.943 -7.264 -6.172 378 1HG2 VAL 46 1HG2 VAL 46 -4.773 -4.787 -6.922 379 2HG2 VAL 46 2HG2 VAL 46 -3.044 -5.038 -7.158 380 3HG2 VAL 46 3HG2 VAL 46 -3.609 -3.746 -6.100 381 H LEU 47 H LEU 47 -6.705 -6.215 -2.745 382 HA LEU 47 HA LEU 47 -4.857 -7.299 -0.758 383 1HB LEU 47 2HB LEU 47 -7.860 -6.997 -0.631 384 2HB LEU 47 1HB LEU 47 -6.827 -7.527 0.683 385 HG LEU 47 HG LEU 47 -6.787 -4.785 -0.584 386 1HD1 LEU 47 1HD1 LEU 47 -8.783 -5.161 0.758 387 2HD1 LEU 47 2HD1 LEU 47 -7.689 -4.035 1.564 388 3HD1 LEU 47 3HD1 LEU 47 -7.787 -5.710 2.106 389 1HD2 LEU 47 1HD2 LEU 47 -4.575 -5.462 0.203 390 2HD2 LEU 47 2HD2 LEU 47 -5.254 -5.879 1.775 391 3HD2 LEU 47 3HD2 LEU 47 -5.255 -4.202 1.233 392 H LEU 48 H LEU 48 -4.213 -9.021 -2.193 393 HA LEU 48 HA LEU 48 -6.175 -11.221 -2.232 394 1HB LEU 48 2HB LEU 48 -3.945 -10.683 -4.199 395 2HB LEU 48 1HB LEU 48 -4.977 -12.098 -4.213 396 HG LEU 48 HG LEU 48 -5.876 -9.255 -4.687 397 1HD1 LEU 48 1HD1 LEU 48 -6.284 -10.032 -6.975 398 2HD1 LEU 48 2HD1 LEU 48 -5.587 -11.598 -6.563 399 3HD1 LEU 48 3HD1 LEU 48 -4.582 -10.151 -6.537 400 1HD2 LEU 48 1HD2 LEU 48 -7.604 -10.597 -3.579 401 2HD2 LEU 48 2HD2 LEU 48 -7.436 -11.838 -4.821 402 3HD2 LEU 48 3HD2 LEU 48 -8.034 -10.238 -5.251 403 H ILE 49 H ILE 49 -5.461 -13.239 -1.605 404 HA ILE 49 HA ILE 49 -3.561 -13.277 0.451 405 HB ILE 49 HB ILE 49 -4.682 -15.620 -1.103 406 1HG1 ILE 49 2HG1 ILE 49 -5.616 -14.364 1.493 407 2HG1 ILE 49 1HG1 ILE 49 -6.394 -14.151 -0.070 408 1HG2 ILE 49 1HG2 ILE 49 -2.694 -16.241 0.145 409 2HG2 ILE 49 2HG2 ILE 49 -4.134 -16.951 0.878 410 3HG2 ILE 49 3HG2 ILE 49 -3.376 -15.535 1.608 411 1HD1 ILE 49 1HD1 ILE 49 -6.858 -16.555 -0.149 412 2HD1 ILE 49 2HD1 ILE 49 -7.580 -15.778 1.261 413 3HD1 ILE 49 3HD1 ILE 49 -6.111 -16.737 1.439 414 H ASP 50 H ASP 50 -3.354 -14.593 -2.845 415 HA ASP 50 HA ASP 50 -0.733 -15.628 -2.559 416 1HB ASP 50 2HB ASP 50 -2.126 -16.533 -4.266 417 2HB ASP 50 1HB ASP 50 -2.415 -14.947 -4.969 418 H GLU 51 H GLU 51 -1.935 -12.472 -3.475 419 HA GLU 51 HA GLU 51 0.461 -11.729 -4.876 420 1HB GLU 51 2HB GLU 51 -2.050 -10.916 -5.153 421 2HB GLU 51 1HB GLU 51 -1.525 -9.682 -4.015 422 1HG GLU 51 2HG GLU 51 -1.283 -8.876 -6.274 423 2HG GLU 51 1HG GLU 51 0.305 -9.081 -5.536 424 H ALA 52 H ALA 52 -0.096 -12.057 -1.679 425 HA ALA 52 HA ALA 52 1.021 -9.686 -0.588 426 1HB ALA 52 1HB ALA 52 -0.329 -11.240 0.742 427 2HB ALA 52 2HB ALA 52 1.256 -10.970 1.470 428 3HB ALA 52 3HB ALA 52 0.931 -12.461 0.586 429 H THR 53 H THR 53 3.038 -9.006 -0.758 430 HA THR 53 HA THR 53 5.115 -10.961 -1.450 431 HB THR 53 HB THR 53 4.907 -9.108 -3.031 432 HG1 THR 53 1HG THR 53 7.220 -8.235 -2.531 433 1HG2 THR 53 1HG2 THR 53 5.613 -7.324 -0.702 434 2HG2 THR 53 2HG2 THR 53 4.051 -7.389 -1.517 435 3HG2 THR 53 3HG2 THR 53 5.473 -6.818 -2.386 436 H GLU 54 H GLU 54 7.267 -10.573 -0.523 437 HA GLU 54 HA GLU 54 7.006 -10.136 2.345 438 1HB GLU 54 2HB GLU 54 8.183 -12.140 1.601 439 2HB GLU 54 1HB GLU 54 9.305 -11.162 0.669 440 1HG GLU 54 2HG GLU 54 10.210 -10.206 2.692 441 2HG GLU 54 1HG GLU 54 9.036 -11.094 3.664 442 H TRP 55 H TRP 55 7.560 -8.297 3.284 443 HA TRP 55 HA TRP 55 9.459 -6.511 1.940 444 1HB TRP 55 2HB TRP 55 7.176 -5.773 1.348 445 2HB TRP 55 1HB TRP 55 6.775 -5.664 3.059 446 HD1 TRP 55 HD TRP 55 7.571 -3.511 4.371 447 HE1 TRP 55 1HE TRP 55 8.621 -1.280 3.626 448 HE3 TRP 55 3HE TRP 55 8.820 -4.763 -0.427 449 HZ2 TRP 55 2HZ TRP 55 9.803 -0.195 1.307 450 HZ3 TRP 55 3HZ TRP 55 9.902 -3.069 -1.843 451 HH2 TRP 55 HH TRP 55 10.384 -0.833 -0.994 452 H THR 56 H THR 56 10.925 -5.690 3.309 453 HA THR 56 HA THR 56 10.233 -5.463 6.131 454 HB THR 56 HB THR 56 11.265 -7.699 5.859 455 HG1 THR 56 1HG THR 56 13.005 -5.937 7.266 456 1HG2 THR 56 1HG2 THR 56 13.717 -6.162 5.002 457 2HG2 THR 56 2HG2 THR 56 12.762 -7.242 3.987 458 3HG2 THR 56 3HG2 THR 56 13.660 -7.885 5.364 459 HA PRO 57 HA PRO 57 12.556 -1.687 5.590 460 1HB PRO 57 2HB PRO 57 12.553 -1.542 8.517 461 2HB PRO 57 1HB PRO 57 11.791 -0.461 7.346 462 1HG PRO 57 2HG PRO 57 10.354 -2.098 8.936 463 2HG PRO 57 1HG PRO 57 9.840 -1.679 7.291 464 1HD PRO 57 2HD PRO 57 11.174 -4.173 8.284 465 2HD PRO 57 1HD PRO 57 9.842 -3.992 7.120 466 H ASN 58 H ASN 58 14.564 -0.718 6.607 467 HA ASN 58 HA ASN 58 16.785 -0.841 7.066 468 1HB ASN 58 2HB ASN 58 16.101 -1.690 9.248 469 2HB ASN 58 1HB ASN 58 15.972 -3.320 8.601 470 1HD2 ASN 58 1HD2 ASN 58 18.532 -1.039 7.845 471 2HD2 ASN 58 2HD2 ASN 58 19.795 -1.917 8.630 472 H ASN 59 H ASN 59 17.652 -1.131 5.067 473 HA ASN 59 HA ASN 59 17.626 -3.758 3.835 474 1HB ASN 59 2HB ASN 59 17.301 -1.749 2.443 475 2HB ASN 59 1HB ASN 59 18.911 -1.188 2.886 476 1HD2 ASN 59 1HD2 ASN 59 19.683 -1.187 0.809 477 2HD2 ASN 59 2HD2 ASN 59 19.976 -2.635 -0.095 478 H LEU 60 H LEU 60 18.908 -5.066 5.064 479 HA LEU 60 HA LEU 60 21.602 -4.302 5.746 480 1HB LEU 60 2HB LEU 60 20.147 -6.942 5.937 481 2HB LEU 60 1HB LEU 60 21.778 -6.669 6.523 482 HG LEU 60 HG LEU 60 19.308 -5.256 7.537 483 1HD1 LEU 60 1HD1 LEU 60 20.974 -7.425 8.803 484 2HD1 LEU 60 2HD1 LEU 60 19.346 -7.618 8.154 485 3HD1 LEU 60 3HD1 LEU 60 19.620 -6.583 9.556 486 1HD2 LEU 60 1HD2 LEU 60 20.780 -4.404 9.290 487 2HD2 LEU 60 2HD2 LEU 60 21.321 -3.880 7.694 488 3HD2 LEU 60 3HD2 LEU 60 22.160 -5.192 8.521 489 H GLU 61 H GLU 61 23.456 -5.690 5.079 490 HA GLU 61 HA GLU 61 23.558 -5.648 2.229 491 1HB GLU 61 2HB GLU 61 25.588 -6.623 4.240 492 2HB GLU 61 1HB GLU 61 25.892 -6.418 2.520 493 1HG GLU 61 2HG GLU 61 25.402 -4.020 2.741 494 2HG GLU 61 1HG GLU 61 25.162 -4.248 4.473 Start of MODEL 9 1 1H MET 1 1HT MET 1 -4.296 18.271 11.599 2 2H MET 1 2HT MET 1 -4.210 16.650 12.085 3 3H MET 1 3HT MET 1 -4.184 17.881 13.243 4 HA MET 1 HA MET 1 -6.339 16.721 13.070 5 1HB MET 1 2HB MET 1 -6.072 19.048 13.939 6 2HB MET 1 1HB MET 1 -6.382 19.653 12.320 7 1HG MET 1 2HG MET 1 -8.618 18.713 12.368 8 2HG MET 1 1HG MET 1 -8.308 18.026 13.961 9 1HE MET 1 1HE MET 1 -10.475 19.162 15.001 10 2HE MET 1 2HE MET 1 -10.848 19.756 13.383 11 3HE MET 1 3HE MET 1 -10.880 20.860 14.757 12 H SER 2 H SER 2 -8.213 16.331 11.874 13 HA SER 2 HA SER 2 -9.645 16.198 10.125 14 1HB SER 2 2HB SER 2 -7.800 18.101 8.671 15 2HB SER 2 1HB SER 2 -9.451 17.684 8.206 16 HG SER 2 HG SER 2 -10.192 18.671 10.108 17 H LEU 3 H LEU 3 -9.950 14.730 8.568 18 HA LEU 3 HA LEU 3 -7.945 13.879 6.734 19 1HB LEU 3 2HB LEU 3 -7.227 12.775 8.889 20 2HB LEU 3 1HB LEU 3 -8.738 11.891 8.869 21 HG LEU 3 HG LEU 3 -8.072 10.850 6.717 22 1HD1 LEU 3 1HD1 LEU 3 -5.750 11.029 5.983 23 2HD1 LEU 3 2HD1 LEU 3 -5.450 12.241 7.231 24 3HD1 LEU 3 3HD1 LEU 3 -6.576 12.588 5.916 25 1HD2 LEU 3 1HD2 LEU 3 -6.358 9.373 7.674 26 2HD2 LEU 3 2HD2 LEU 3 -7.680 9.677 8.802 27 3HD2 LEU 3 3HD2 LEU 3 -6.139 10.509 9.004 28 H ASP 4 H ASP 4 -8.806 11.902 5.477 29 HA ASP 4 HA ASP 4 -11.750 11.899 5.493 30 1HB ASP 4 2HB ASP 4 -10.843 13.181 3.552 31 2HB ASP 4 1HB ASP 4 -10.019 11.720 3.016 32 HA PRO 5 HA PRO 5 -10.318 7.599 6.186 33 1HB PRO 5 2HB PRO 5 -12.489 6.845 7.627 34 2HB PRO 5 1HB PRO 5 -11.122 7.719 8.330 35 1HG PRO 5 2HG PRO 5 -13.769 8.770 7.406 36 2HG PRO 5 1HG PRO 5 -12.870 9.157 8.885 37 1HD PRO 5 2HD PRO 5 -12.854 10.776 6.719 38 2HD PRO 5 1HD PRO 5 -11.450 10.612 7.793 39 H GLN 6 H GLN 6 -12.857 8.946 4.427 40 HA GLN 6 HA GLN 6 -14.460 6.701 3.848 41 1HB GLN 6 2HB GLN 6 -13.929 9.184 2.204 42 2HB GLN 6 1HB GLN 6 -15.194 8.012 1.866 43 1HG GLN 6 2HG GLN 6 -14.967 9.686 4.355 44 2HG GLN 6 1HG GLN 6 -16.061 9.983 3.004 45 1HE2 GLN 6 1HE2 GLN 6 -17.825 8.609 2.692 46 2HE2 GLN 6 2HE2 GLN 6 -18.401 7.563 3.947 47 H LEU 7 H LEU 7 -11.589 8.033 2.280 48 HA LEU 7 HA LEU 7 -11.654 6.200 0.082 49 1HB LEU 7 2HB LEU 7 -9.428 7.959 1.115 50 2HB LEU 7 1HB LEU 7 -9.397 7.087 -0.405 51 HG LEU 7 HG LEU 7 -11.362 9.274 0.283 52 1HD1 LEU 7 1HD1 LEU 7 -10.091 10.611 -1.338 53 2HD1 LEU 7 2HD1 LEU 7 -8.913 9.305 -1.476 54 3HD1 LEU 7 3HD1 LEU 7 -9.110 10.155 0.056 55 1HD2 LEU 7 1HD2 LEU 7 -10.823 7.818 -2.305 56 2HD2 LEU 7 2HD2 LEU 7 -11.937 9.170 -2.093 57 3HD2 LEU 7 3HD2 LEU 7 -12.254 7.630 -1.290 58 H LEU 8 H LEU 8 -10.634 5.948 3.304 59 HA LEU 8 HA LEU 8 -8.417 4.168 2.747 60 1HB LEU 8 2HB LEU 8 -9.540 5.163 5.359 61 2HB LEU 8 1HB LEU 8 -8.106 4.168 5.202 62 HG LEU 8 HG LEU 8 -8.430 6.968 4.113 63 1HD1 LEU 8 1HD1 LEU 8 -6.828 5.905 6.430 64 2HD1 LEU 8 2HD1 LEU 8 -8.256 6.935 6.528 65 3HD1 LEU 8 3HD1 LEU 8 -6.770 7.556 5.813 66 1HD2 LEU 8 1HD2 LEU 8 -6.985 5.573 2.716 67 2HD2 LEU 8 2HD2 LEU 8 -6.030 5.143 4.134 68 3HD2 LEU 8 3HD2 LEU 8 -6.064 6.811 3.566 69 H GLU 9 H GLU 9 -11.593 3.975 4.341 70 HA GLU 9 HA GLU 9 -12.871 2.219 5.009 71 1HB GLU 9 2HB GLU 9 -11.310 0.995 2.760 72 2HB GLU 9 1HB GLU 9 -12.371 -0.013 3.735 73 1HG GLU 9 2HG GLU 9 -13.275 2.485 2.327 74 2HG GLU 9 1HG GLU 9 -13.381 0.868 1.631 75 H VAL 10 H VAL 10 -12.310 -0.488 5.399 76 HA VAL 10 HA VAL 10 -10.330 -0.321 7.559 77 HB VAL 10 HB VAL 10 -12.422 -2.448 7.038 78 1HG1 VAL 10 1HG1 VAL 10 -10.480 -3.364 8.181 79 2HG1 VAL 10 2HG1 VAL 10 -11.851 -3.257 9.286 80 3HG1 VAL 10 3HG1 VAL 10 -10.553 -2.068 9.376 81 1HG2 VAL 10 1HG2 VAL 10 -13.529 -1.502 9.029 82 2HG2 VAL 10 2HG2 VAL 10 -13.441 -0.353 7.694 83 3HG2 VAL 10 3HG2 VAL 10 -12.332 -0.210 9.056 84 H LEU 11 H LEU 11 -8.359 -0.817 6.886 85 HA LEU 11 HA LEU 11 -7.973 -2.753 4.746 86 1HB LEU 11 2HB LEU 11 -5.980 -1.048 6.245 87 2HB LEU 11 1HB LEU 11 -5.612 -2.057 4.859 88 HG LEU 11 HG LEU 11 -7.472 0.322 4.826 89 1HD1 LEU 11 1HD1 LEU 11 -4.662 0.024 3.773 90 2HD1 LEU 11 2HD1 LEU 11 -5.152 0.988 5.167 91 3HD1 LEU 11 3HD1 LEU 11 -5.708 1.427 3.551 92 1HD2 LEU 11 1HD2 LEU 11 -7.414 0.055 2.402 93 2HD2 LEU 11 2HD2 LEU 11 -8.067 -1.387 3.182 94 3HD2 LEU 11 3HD2 LEU 11 -6.408 -1.382 2.578 95 H ALA 12 H ALA 12 -8.110 -4.798 5.403 96 HA ALA 12 HA ALA 12 -6.402 -5.627 7.641 97 1HB ALA 12 1HB ALA 12 -8.093 -7.208 8.389 98 2HB ALA 12 2HB ALA 12 -9.183 -6.673 7.110 99 3HB ALA 12 3HB ALA 12 -8.735 -5.565 8.407 100 H CYS 13 H CYS 13 -5.545 -7.707 7.492 101 HA CYS 13 HA CYS 13 -4.835 -8.527 4.885 102 1HB CYS 13 2HB CYS 13 -3.396 -8.811 6.877 103 2HB CYS 13 1HB CYS 13 -4.531 -9.991 7.516 104 HG CYS 13 HG CYS 13 -2.909 -10.469 4.537 105 HA PRO 14 HA PRO 14 -8.330 -11.056 3.869 106 1HB PRO 14 2HB PRO 14 -6.499 -12.446 2.021 107 2HB PRO 14 1HB PRO 14 -7.964 -11.522 1.673 108 1HG PRO 14 2HG PRO 14 -5.544 -10.564 1.070 109 2HG PRO 14 1HG PRO 14 -6.844 -9.504 1.648 110 1HD PRO 14 2HD PRO 14 -4.508 -10.630 3.152 111 2HD PRO 14 1HD PRO 14 -5.188 -8.989 3.189 112 H LYS 15 H LYS 15 -5.882 -12.107 5.727 113 HA LYS 15 HA LYS 15 -6.598 -14.935 5.548 114 1HB LYS 15 2HB LYS 15 -4.383 -13.461 6.909 115 2HB LYS 15 1HB LYS 15 -4.893 -15.008 7.567 116 1HG LYS 15 2HG LYS 15 -3.154 -15.586 6.165 117 2HG LYS 15 1HG LYS 15 -4.574 -15.885 5.163 118 1HD LYS 15 2HD LYS 15 -4.251 -13.632 4.160 119 2HD LYS 15 1HD LYS 15 -2.751 -13.487 5.075 120 1HE LYS 15 2HE LYS 15 -3.395 -15.528 2.950 121 2HE LYS 15 1HE LYS 15 -2.237 -14.206 2.841 122 1HZ LYS 15 1HZ LYS 15 -1.086 -16.255 3.248 123 2HZ LYS 15 2HZ LYS 15 -2.035 -16.580 4.619 124 3HZ LYS 15 3HZ LYS 15 -0.954 -15.281 4.629 125 H ASP 16 H ASP 16 -5.982 -12.917 8.420 126 HA ASP 16 HA ASP 16 -8.642 -13.623 9.403 127 1HB ASP 16 2HB ASP 16 -7.102 -15.417 10.158 128 2HB ASP 16 1HB ASP 16 -6.114 -14.206 10.966 129 H LYS 17 H LYS 17 -8.066 -11.136 8.578 130 HA LYS 17 HA LYS 17 -8.657 -9.057 9.288 131 1HB LYS 17 2HB LYS 17 -9.043 -10.538 11.870 132 2HB LYS 17 1HB LYS 17 -9.374 -8.819 11.707 133 1HG LYS 17 2HG LYS 17 -11.096 -9.205 10.131 134 2HG LYS 17 1HG LYS 17 -10.626 -10.894 9.934 135 1HD LYS 17 2HD LYS 17 -12.649 -10.586 11.324 136 2HD LYS 17 1HD LYS 17 -11.339 -11.410 12.168 137 1HE LYS 17 2HE LYS 17 -12.304 -9.823 13.664 138 2HE LYS 17 1HE LYS 17 -10.713 -9.235 13.191 139 1HZ LYS 17 1HZ LYS 17 -12.221 -7.426 13.130 140 2HZ LYS 17 2HZ LYS 17 -13.347 -8.292 12.210 141 3HZ LYS 17 3HZ LYS 17 -11.871 -7.820 11.520 142 H GLY 18 H GLY 18 -5.820 -10.086 9.490 143 1HA GLY 18 2HA GLY 18 -4.576 -8.674 11.631 144 2HA GLY 18 1HA GLY 18 -3.776 -9.266 10.179 145 HA PRO 19 HA PRO 19 -5.381 -4.587 10.017 146 1HB PRO 19 2HB PRO 19 -3.280 -3.823 11.964 147 2HB PRO 19 1HB PRO 19 -4.933 -3.223 11.797 148 1HG PRO 19 2HG PRO 19 -4.272 -4.857 13.793 149 2HG PRO 19 1HG PRO 19 -5.838 -4.999 12.976 150 1HD PRO 19 2HD PRO 19 -3.376 -6.671 12.665 151 2HD PRO 19 1HD PRO 19 -5.080 -7.172 12.705 152 H LEU 20 H LEU 20 -4.577 -3.806 8.200 153 HA LEU 20 HA LEU 20 -1.742 -4.147 7.584 154 1HB LEU 20 2HB LEU 20 -4.011 -3.099 5.887 155 2HB LEU 20 1HB LEU 20 -2.370 -3.366 5.332 156 HG LEU 20 HG LEU 20 -4.282 -5.509 6.270 157 1HD1 LEU 20 1HD1 LEU 20 -4.299 -6.208 3.940 158 2HD1 LEU 20 2HD1 LEU 20 -3.239 -4.868 3.515 159 3HD1 LEU 20 3HD1 LEU 20 -4.872 -4.547 4.095 160 1HD2 LEU 20 1HD2 LEU 20 -1.484 -5.712 5.160 161 2HD2 LEU 20 2HD2 LEU 20 -2.560 -7.071 5.479 162 3HD2 LEU 20 3HD2 LEU 20 -1.978 -6.075 6.812 163 H ARG 21 H ARG 21 -0.312 -2.475 7.390 164 HA ARG 21 HA ARG 21 -1.322 0.162 8.207 165 1HB ARG 21 2HB ARG 21 0.396 -0.982 9.654 166 2HB ARG 21 1HB ARG 21 1.527 -0.838 8.318 167 1HG ARG 21 2HG ARG 21 1.424 1.563 8.424 168 2HG ARG 21 1HG ARG 21 0.166 1.487 9.657 169 1HD ARG 21 2HD ARG 21 1.779 0.300 11.136 170 2HD ARG 21 1HD ARG 21 3.026 0.570 9.918 171 HE ARG 21 HE ARG 21 1.862 3.034 10.512 172 1HH1 ARG 21 1HH1 ARG 21 3.814 0.597 12.125 173 2HH1 ARG 21 2HH1 ARG 21 4.563 1.745 13.194 174 1HH2 ARG 21 1HH2 ARG 21 2.836 4.523 11.920 175 2HH2 ARG 21 2HH2 ARG 21 4.025 3.973 13.065 176 H TYR 22 H TYR 22 -1.238 1.792 6.812 177 HA TYR 22 HA TYR 22 -0.148 1.323 4.174 178 1HB TYR 22 2HB TYR 22 -2.297 2.323 4.145 179 2HB TYR 22 1HB TYR 22 -1.851 3.510 5.367 180 HD1 TYR 22 1HD TYR 22 -1.149 5.628 4.731 181 HD2 TYR 22 2HD TYR 22 -1.098 2.503 1.845 182 HE1 TYR 22 1HE TYR 22 -0.584 7.260 2.985 183 HE2 TYR 22 2HE TYR 22 -0.528 4.128 0.086 184 HH TYR 22 HH TYR 22 -0.934 6.797 -0.171 185 H LEU 23 H LEU 23 1.848 1.829 3.666 186 HA LEU 23 HA LEU 23 3.269 3.863 5.192 187 1HB LEU 23 2HB LEU 23 4.128 1.830 3.156 188 2HB LEU 23 1HB LEU 23 5.178 3.160 3.597 189 HG LEU 23 HG LEU 23 5.016 2.379 5.989 190 1HD1 LEU 23 1HD1 LEU 23 4.330 0.071 6.386 191 2HD1 LEU 23 2HD1 LEU 23 3.783 -0.058 4.714 192 3HD1 LEU 23 3HD1 LEU 23 2.982 1.058 5.820 193 1HD2 LEU 23 1HD2 LEU 23 6.623 0.563 5.684 194 2HD2 LEU 23 2HD2 LEU 23 6.965 1.926 4.618 195 3HD2 LEU 23 3HD2 LEU 23 6.196 0.474 3.974 196 H GLU 24 H GLU 24 3.127 5.883 4.597 197 HA GLU 24 HA GLU 24 1.920 6.696 2.166 198 1HB GLU 24 2HB GLU 24 3.512 8.429 4.056 199 2HB GLU 24 1HB GLU 24 2.257 8.945 2.939 200 1HG GLU 24 2HG GLU 24 0.624 7.615 4.247 201 2HG GLU 24 1HG GLU 24 1.905 7.265 5.405 202 H SER 25 H SER 25 5.046 5.753 2.844 203 HA SER 25 HA SER 25 6.502 7.558 1.195 204 1HB SER 25 2HB SER 25 8.268 5.671 1.477 205 2HB SER 25 1HB SER 25 7.750 6.570 2.905 206 HG SER 25 HG SER 25 7.769 4.073 2.839 207 H GLU 26 H GLU 26 5.634 4.113 0.784 208 HA GLU 26 HA GLU 26 6.257 4.412 -2.080 209 1HB GLU 26 2HB GLU 26 6.300 1.912 -0.379 210 2HB GLU 26 1HB GLU 26 6.764 2.013 -2.076 211 1HG GLU 26 2HG GLU 26 8.621 3.441 -1.526 212 2HG GLU 26 1HG GLU 26 8.118 3.499 0.162 213 H GLN 27 H GLN 27 3.683 4.506 -0.220 214 HA GLN 27 HA GLN 27 1.459 4.082 -0.427 215 1HB GLN 27 2HB GLN 27 2.300 3.826 -3.314 216 2HB GLN 27 1HB GLN 27 0.627 3.667 -2.808 217 1HG GLN 27 2HG GLN 27 0.794 5.868 -3.504 218 2HG GLN 27 1HG GLN 27 0.913 5.974 -1.751 219 1HE2 GLN 27 1HE2 GLN 27 2.820 6.627 -0.820 220 2HE2 GLN 27 2HE2 GLN 27 4.127 7.306 -1.724 221 H LEU 28 H LEU 28 2.864 1.985 0.557 222 HA LEU 28 HA LEU 28 1.589 -0.347 -0.709 223 1HB LEU 28 2HB LEU 28 4.182 -0.183 0.827 224 2HB LEU 28 1HB LEU 28 3.410 -1.691 0.373 225 HG LEU 28 HG LEU 28 4.419 0.395 -1.567 226 1HD1 LEU 28 1HD1 LEU 28 6.241 -0.728 -0.382 227 2HD1 LEU 28 2HD1 LEU 28 6.176 -1.221 -2.074 228 3HD1 LEU 28 3HD1 LEU 28 5.562 -2.297 -0.819 229 1HD2 LEU 28 1HD2 LEU 28 3.350 -2.386 -2.043 230 2HD2 LEU 28 2HD2 LEU 28 3.993 -1.292 -3.269 231 3HD2 LEU 28 3HD2 LEU 28 2.507 -0.881 -2.413 232 H LEU 29 H LEU 29 0.863 -2.021 0.707 233 HA LEU 29 HA LEU 29 0.131 -1.016 3.383 234 1HB LEU 29 2HB LEU 29 -1.218 -3.167 1.739 235 2HB LEU 29 1HB LEU 29 -1.761 -2.556 3.289 236 HG LEU 29 HG LEU 29 -1.667 -0.978 0.718 237 1HD1 LEU 29 1HD1 LEU 29 -3.984 -2.121 2.265 238 2HD1 LEU 29 2HD1 LEU 29 -3.399 -2.675 0.696 239 3HD1 LEU 29 3HD1 LEU 29 -4.108 -1.067 0.857 240 1HD2 LEU 29 1HD2 LEU 29 -1.286 0.447 2.649 241 2HD2 LEU 29 2HD2 LEU 29 -2.698 -0.239 3.456 242 3HD2 LEU 29 3HD2 LEU 29 -2.899 0.724 1.990 243 H VAL 30 H VAL 30 1.423 -1.878 4.893 244 HA VAL 30 HA VAL 30 2.456 -4.593 4.399 245 HB VAL 30 HB VAL 30 3.704 -2.400 6.075 246 1HG1 VAL 30 1HG1 VAL 30 4.740 -5.149 5.380 247 2HG1 VAL 30 2HG1 VAL 30 4.175 -4.625 6.967 248 3HG1 VAL 30 3HG1 VAL 30 5.622 -3.902 6.265 249 1HG2 VAL 30 1HG2 VAL 30 3.860 -1.932 3.692 250 2HG2 VAL 30 2HG2 VAL 30 4.516 -3.542 3.403 251 3HG2 VAL 30 3HG2 VAL 30 5.443 -2.367 4.340 252 H ASN 31 H ASN 31 1.793 -6.146 5.682 253 HA ASN 31 HA ASN 31 0.229 -5.608 8.040 254 1HB ASN 31 2HB ASN 31 -0.189 -7.565 6.536 255 2HB ASN 31 1HB ASN 31 1.357 -8.240 7.038 256 1HD2 ASN 31 1HD2 ASN 31 -1.359 -9.286 7.289 257 2HD2 ASN 31 2HD2 ASN 31 -1.592 -9.600 8.971 258 H GLU 32 H GLU 32 1.094 -5.133 9.948 259 HA GLU 32 HA GLU 32 3.948 -5.246 10.261 260 1HB GLU 32 2HB GLU 32 2.349 -3.355 10.951 261 2HB GLU 32 1HB GLU 32 1.973 -4.350 12.349 262 1HG GLU 32 2HG GLU 32 4.192 -4.211 13.158 263 2HG GLU 32 1HG GLU 32 4.770 -3.514 11.645 264 H ARG 33 H ARG 33 1.611 -7.494 10.750 265 HA ARG 33 HA ARG 33 2.968 -8.729 13.046 266 1HB ARG 33 2HB ARG 33 0.388 -9.485 11.668 267 2HB ARG 33 1HB ARG 33 1.071 -10.311 13.057 268 1HG ARG 33 2HG ARG 33 0.766 -8.320 14.418 269 2HG ARG 33 1HG ARG 33 0.128 -7.450 13.016 270 1HD ARG 33 2HD ARG 33 -1.686 -9.081 12.836 271 2HD ARG 33 1HD ARG 33 -1.051 -9.944 14.231 272 HE ARG 33 HE ARG 33 -1.603 -7.226 14.875 273 1HH1 ARG 33 1HH1 ARG 33 -3.127 -10.329 14.290 274 2HH1 ARG 33 2HH1 ARG 33 -4.505 -9.980 15.294 275 1HH2 ARG 33 1HH2 ARG 33 -3.435 -6.761 16.173 276 2HH2 ARG 33 2HH2 ARG 33 -4.680 -7.964 16.364 277 H LEU 34 H LEU 34 1.663 -9.660 9.861 278 HA LEU 34 HA LEU 34 3.166 -12.127 9.895 279 1HB LEU 34 2HB LEU 34 1.380 -10.956 7.762 280 2HB LEU 34 1HB LEU 34 2.030 -12.584 7.763 281 HG LEU 34 HG LEU 34 0.076 -11.470 9.781 282 1HD1 LEU 34 1HD1 LEU 34 -0.302 -13.466 7.554 283 2HD1 LEU 34 2HD1 LEU 34 -0.942 -11.825 7.602 284 3HD1 LEU 34 3HD1 LEU 34 -1.510 -13.026 8.760 285 1HD2 LEU 34 1HD2 LEU 34 -0.074 -13.793 10.571 286 2HD2 LEU 34 2HD2 LEU 34 1.534 -13.111 10.805 287 3HD2 LEU 34 3HD2 LEU 34 1.238 -14.236 9.480 288 H ASN 35 H ASN 35 3.835 -9.004 8.998 289 HA ASN 35 HA ASN 35 5.498 -7.982 7.852 290 1HB ASN 35 2HB ASN 35 6.837 -9.681 9.193 291 2HB ASN 35 1HB ASN 35 6.880 -10.664 7.732 292 1HD2 ASN 35 1HD2 ASN 35 9.111 -10.498 7.510 293 2HD2 ASN 35 2HD2 ASN 35 9.884 -9.028 7.025 294 H LEU 36 H LEU 36 3.364 -8.714 6.319 295 HA LEU 36 HA LEU 36 4.607 -9.473 3.759 296 1HB LEU 36 2HB LEU 36 1.745 -9.835 4.653 297 2HB LEU 36 1HB LEU 36 2.340 -10.186 3.042 298 HG LEU 36 HG LEU 36 3.192 -11.593 5.573 299 1HD1 LEU 36 1HD1 LEU 36 2.013 -13.518 4.598 300 2HD1 LEU 36 2HD1 LEU 36 1.439 -12.483 3.289 301 3HD1 LEU 36 3HD1 LEU 36 0.927 -12.172 4.948 302 1HD2 LEU 36 1HD2 LEU 36 4.351 -13.133 4.070 303 2HD2 LEU 36 2HD2 LEU 36 4.993 -11.497 3.927 304 3HD2 LEU 36 3HD2 LEU 36 3.904 -12.131 2.690 305 H ALA 37 H ALA 37 4.056 -8.221 1.942 306 HA ALA 37 HA ALA 37 2.778 -5.650 2.618 307 1HB ALA 37 1HB ALA 37 4.320 -4.544 1.112 308 2HB ALA 37 2HB ALA 37 5.059 -6.090 0.699 309 3HB ALA 37 3HB ALA 37 5.215 -5.448 2.334 310 H TYR 38 H TYR 38 1.125 -5.075 1.441 311 HA TYR 38 HA TYR 38 0.554 -6.488 -1.073 312 1HB TYR 38 2HB TYR 38 -1.269 -4.887 0.746 313 2HB TYR 38 1HB TYR 38 -1.771 -5.658 -0.754 314 HD1 TYR 38 1HD TYR 38 -0.573 -6.300 2.688 315 HD2 TYR 38 2HD TYR 38 -2.304 -7.972 -0.818 316 HE1 TYR 38 1HE TYR 38 -1.066 -8.367 3.925 317 HE2 TYR 38 2HE TYR 38 -2.804 -10.044 0.407 318 HH TYR 38 HH TYR 38 -1.922 -11.255 2.407 319 H ARG 39 H ARG 39 -0.179 -5.223 -2.887 320 HA ARG 39 HA ARG 39 1.212 -2.641 -2.941 321 1HB ARG 39 2HB ARG 39 0.279 -4.340 -5.263 322 2HB ARG 39 1HB ARG 39 1.301 -2.912 -5.356 323 1HG ARG 39 2HG ARG 39 3.056 -4.083 -4.125 324 2HG ARG 39 1HG ARG 39 2.026 -5.515 -4.030 325 1HD ARG 39 2HD ARG 39 3.597 -5.790 -5.837 326 2HD ARG 39 1HD ARG 39 1.975 -5.597 -6.499 327 HE ARG 39 HE ARG 39 3.437 -3.125 -6.321 328 1HH1 ARG 39 1HH1 ARG 39 2.733 -5.934 -8.313 329 2HH1 ARG 39 2HH1 ARG 39 3.304 -5.185 -9.779 330 1HH2 ARG 39 1HH2 ARG 39 4.143 -2.143 -8.248 331 2HH2 ARG 39 2HH2 ARG 39 4.101 -3.034 -9.739 332 H ILE 40 H ILE 40 0.255 -0.925 -4.322 333 HA ILE 40 HA ILE 40 -2.687 -1.042 -4.366 334 HB ILE 40 HB ILE 40 -0.928 1.355 -3.820 335 1HG1 ILE 40 2HG1 ILE 40 -2.991 -0.053 -2.106 336 2HG1 ILE 40 1HG1 ILE 40 -1.244 -0.136 -1.893 337 1HG2 ILE 40 1HG2 ILE 40 -3.927 1.222 -4.114 338 2HG2 ILE 40 2HG2 ILE 40 -2.804 1.993 -5.236 339 3HG2 ILE 40 3HG2 ILE 40 -3.005 2.636 -3.605 340 1HD1 ILE 40 1HD1 ILE 40 -2.961 2.324 -1.589 341 2HD1 ILE 40 2HD1 ILE 40 -1.208 2.275 -1.424 342 3HD1 ILE 40 3HD1 ILE 40 -2.222 1.389 -0.287 343 H ASP 41 H ASP 41 -3.587 -0.789 -6.295 344 HA ASP 41 HA ASP 41 -1.842 0.079 -8.498 345 1HB ASP 41 2HB ASP 41 -2.495 -2.205 -8.841 346 2HB ASP 41 1HB ASP 41 -4.180 -1.837 -8.485 347 H ASP 42 H ASP 42 -2.215 2.157 -8.761 348 HA ASP 42 HA ASP 42 -3.244 4.119 -9.240 349 1HB ASP 42 2HB ASP 42 -3.660 2.824 -11.313 350 2HB ASP 42 1HB ASP 42 -5.210 2.308 -10.659 351 H GLY 43 H GLY 43 -3.749 3.735 -6.759 352 1HA GLY 43 2HA GLY 43 -5.145 4.750 -5.203 353 2HA GLY 43 1HA GLY 43 -6.362 4.923 -6.454 354 H ILE 44 H ILE 44 -5.734 1.816 -6.797 355 HA ILE 44 HA ILE 44 -7.735 1.043 -4.778 356 HB ILE 44 HB ILE 44 -7.104 -0.271 -7.428 357 1HG1 ILE 44 2HG1 ILE 44 -9.541 1.295 -6.545 358 2HG1 ILE 44 1HG1 ILE 44 -8.291 1.889 -7.634 359 1HG2 ILE 44 1HG2 ILE 44 -9.054 -1.685 -6.971 360 2HG2 ILE 44 2HG2 ILE 44 -9.215 -0.941 -5.381 361 3HG2 ILE 44 3HG2 ILE 44 -7.787 -1.903 -5.763 362 1HD1 ILE 44 1HD1 ILE 44 -10.213 1.194 -8.899 363 2HD1 ILE 44 2HD1 ILE 44 -10.176 -0.400 -8.144 364 3HD1 ILE 44 3HD1 ILE 44 -8.871 0.095 -9.222 365 HA PRO 45 HA PRO 45 -4.297 -1.231 -2.975 366 1HB PRO 45 2HB PRO 45 -5.824 -2.377 -1.008 367 2HB PRO 45 1HB PRO 45 -5.111 -0.767 -0.892 368 1HG PRO 45 2HG PRO 45 -7.899 -1.560 -1.621 369 2HG PRO 45 1HG PRO 45 -7.343 -0.217 -0.605 370 1HD PRO 45 2HD PRO 45 -8.135 0.156 -3.153 371 2HD PRO 45 1HD PRO 45 -6.826 1.114 -2.428 372 H VAL 46 H VAL 46 -3.577 -3.124 -3.673 373 HA VAL 46 HA VAL 46 -5.440 -5.073 -4.780 374 HB VAL 46 HB VAL 46 -2.411 -5.085 -4.800 375 1HG1 VAL 46 1HG1 VAL 46 -2.650 -6.752 -6.583 376 2HG1 VAL 46 2HG1 VAL 46 -4.400 -6.740 -6.355 377 3HG1 VAL 46 3HG1 VAL 46 -3.345 -7.317 -5.061 378 1HG2 VAL 46 1HG2 VAL 46 -3.261 -3.172 -6.020 379 2HG2 VAL 46 2HG2 VAL 46 -4.374 -4.207 -6.919 380 3HG2 VAL 46 3HG2 VAL 46 -2.632 -4.376 -7.142 381 H LEU 47 H LEU 47 -6.347 -6.222 -3.181 382 HA LEU 47 HA LEU 47 -4.670 -7.166 -0.972 383 1HB LEU 47 2HB LEU 47 -7.668 -7.221 -1.329 384 2HB LEU 47 1HB LEU 47 -6.812 -7.766 0.100 385 HG LEU 47 HG LEU 47 -6.894 -4.929 -0.933 386 1HD1 LEU 47 1HD1 LEU 47 -8.157 -6.207 1.489 387 2HD1 LEU 47 2HD1 LEU 47 -9.001 -5.620 0.055 388 3HD1 LEU 47 3HD1 LEU 47 -8.164 -4.484 1.112 389 1HD2 LEU 47 1HD2 LEU 47 -5.577 -6.072 1.529 390 2HD2 LEU 47 2HD2 LEU 47 -5.721 -4.356 1.139 391 3HD2 LEU 47 3HD2 LEU 47 -4.753 -5.415 0.113 392 H LEU 48 H LEU 48 -4.249 -8.331 -3.464 393 HA LEU 48 HA LEU 48 -5.545 -10.915 -3.461 394 1HB LEU 48 2HB LEU 48 -3.516 -9.565 -5.195 395 2HB LEU 48 1HB LEU 48 -3.673 -11.308 -5.262 396 HG LEU 48 HG LEU 48 -4.944 -10.243 -7.046 397 1HD1 LEU 48 1HD1 LEU 48 -5.768 -12.343 -6.139 398 2HD1 LEU 48 2HD1 LEU 48 -7.105 -11.312 -6.650 399 3HD1 LEU 48 3HD1 LEU 48 -6.711 -11.466 -4.937 400 1HD2 LEU 48 1HD2 LEU 48 -5.435 -8.111 -5.987 401 2HD2 LEU 48 2HD2 LEU 48 -6.501 -8.913 -4.836 402 3HD2 LEU 48 3HD2 LEU 48 -6.919 -8.881 -6.549 403 H ILE 49 H ILE 49 -4.877 -12.607 -2.391 404 HA ILE 49 HA ILE 49 -2.974 -12.456 -0.383 405 HB ILE 49 HB ILE 49 -4.185 -14.880 -1.707 406 1HG1 ILE 49 2HG1 ILE 49 -4.816 -13.457 0.891 407 2HG1 ILE 49 1HG1 ILE 49 -5.761 -13.343 -0.590 408 1HG2 ILE 49 1HG2 ILE 49 -2.662 -14.768 0.897 409 2HG2 ILE 49 2HG2 ILE 49 -2.074 -15.492 -0.600 410 3HG2 ILE 49 3HG2 ILE 49 -3.476 -16.179 0.221 411 1HD1 ILE 49 1HD1 ILE 49 -6.282 -15.727 -0.435 412 2HD1 ILE 49 2HD1 ILE 49 -6.804 -14.843 1.001 413 3HD1 ILE 49 3HD1 ILE 49 -5.340 -15.829 1.054 414 H ASP 50 H ASP 50 -2.608 -13.881 -3.625 415 HA ASP 50 HA ASP 50 -0.031 -14.973 -2.975 416 1HB ASP 50 2HB ASP 50 -1.517 -16.099 -4.574 417 2HB ASP 50 1HB ASP 50 -1.404 -14.715 -5.656 418 H GLU 51 H GLU 51 -1.182 -11.998 -4.319 419 HA GLU 51 HA GLU 51 1.243 -11.240 -5.621 420 1HB GLU 51 2HB GLU 51 -1.138 -9.626 -4.700 421 2HB GLU 51 1HB GLU 51 0.222 -8.930 -5.569 422 1HG GLU 51 2HG GLU 51 -1.582 -11.112 -6.592 423 2HG GLU 51 1HG GLU 51 -1.657 -9.409 -7.043 424 H ALA 52 H ALA 52 0.163 -11.209 -2.365 425 HA ALA 52 HA ALA 52 1.808 -9.119 -1.380 426 1HB ALA 52 1HB ALA 52 -0.129 -9.941 -0.145 427 2HB ALA 52 2HB ALA 52 1.339 -10.049 0.825 428 3HB ALA 52 3HB ALA 52 0.666 -11.497 0.078 429 H THR 53 H THR 53 3.878 -9.099 -0.801 430 HA THR 53 HA THR 53 5.370 -11.643 -0.907 431 HB THR 53 HB THR 53 6.608 -8.952 -1.444 432 HG1 THR 53 1HG THR 53 4.784 -10.260 -2.996 433 1HG2 THR 53 1HG2 THR 53 8.124 -10.834 -1.071 434 2HG2 THR 53 2HG2 THR 53 8.204 -10.294 -2.749 435 3HG2 THR 53 3HG2 THR 53 7.310 -11.757 -2.332 436 H GLU 54 H GLU 54 7.116 -11.881 0.613 437 HA GLU 54 HA GLU 54 6.723 -10.695 3.158 438 1HB GLU 54 2HB GLU 54 9.216 -12.066 2.115 439 2HB GLU 54 1HB GLU 54 8.826 -11.770 3.800 440 1HG GLU 54 2HG GLU 54 8.359 -14.031 3.446 441 2HG GLU 54 1HG GLU 54 6.790 -13.233 3.441 442 H TRP 55 H TRP 55 7.679 -8.898 4.089 443 HA TRP 55 HA TRP 55 9.134 -7.213 2.170 444 1HB TRP 55 2HB TRP 55 6.884 -6.502 3.177 445 2HB TRP 55 1HB TRP 55 7.774 -6.239 4.672 446 HD1 TRP 55 HD TRP 55 8.495 -3.811 4.967 447 HE1 TRP 55 1HE TRP 55 9.075 -1.844 3.405 448 HE3 TRP 55 3HE TRP 55 7.991 -6.176 0.464 449 HZ2 TRP 55 2HZ TRP 55 9.310 -1.373 0.630 450 HZ3 TRP 55 3HZ TRP 55 8.415 -4.900 -1.594 451 HH2 TRP 55 HH TRP 55 9.060 -2.546 -1.514 452 H THR 56 H THR 56 11.157 -6.683 2.508 453 HA THR 56 HA THR 56 13.169 -6.306 3.447 454 HB THR 56 HB THR 56 11.659 -6.131 6.041 455 HG1 THR 56 1HG THR 56 11.870 -4.445 3.861 456 1HG2 THR 56 1HG2 THR 56 14.074 -6.373 6.367 457 2HG2 THR 56 2HG2 THR 56 13.538 -4.746 6.792 458 3HG2 THR 56 3HG2 THR 56 14.356 -5.031 5.256 459 HA PRO 57 HA PRO 57 13.996 -10.614 4.751 460 1HB PRO 57 2HB PRO 57 16.417 -10.197 3.158 461 2HB PRO 57 1HB PRO 57 15.167 -11.430 2.980 462 1HG PRO 57 2HG PRO 57 15.490 -9.428 1.193 463 2HG PRO 57 1HG PRO 57 13.906 -10.138 1.555 464 1HD PRO 57 2HD PRO 57 15.110 -7.579 2.547 465 2HD PRO 57 1HD PRO 57 13.448 -7.907 2.009 466 H ASN 58 H ASN 58 15.137 -11.022 6.572 467 HA ASN 58 HA ASN 58 17.138 -9.012 7.379 468 1HB ASN 58 2HB ASN 58 14.950 -8.822 8.585 469 2HB ASN 58 1HB ASN 58 15.206 -10.446 9.213 470 1HD2 ASN 58 1HD2 ASN 58 15.174 -9.662 11.328 471 2HD2 ASN 58 2HD2 ASN 58 16.515 -8.796 12.002 472 H ASN 59 H ASN 59 19.092 -9.861 7.587 473 HA ASN 59 HA ASN 59 19.568 -12.666 7.612 474 1HB ASN 59 2HB ASN 59 21.178 -11.095 6.651 475 2HB ASN 59 1HB ASN 59 21.431 -10.364 8.230 476 1HD2 ASN 59 1HD2 ASN 59 23.616 -10.809 8.252 477 2HD2 ASN 59 2HD2 ASN 59 24.233 -12.418 8.447 478 H LEU 60 H LEU 60 19.157 -13.934 9.293 479 HA LEU 60 HA LEU 60 19.259 -12.810 11.991 480 1HB LEU 60 2HB LEU 60 18.113 -15.425 11.011 481 2HB LEU 60 1HB LEU 60 18.003 -14.816 12.650 482 HG LEU 60 HG LEU 60 16.758 -13.520 10.224 483 1HD1 LEU 60 1HD1 LEU 60 14.641 -14.258 11.168 484 2HD1 LEU 60 2HD1 LEU 60 15.491 -15.059 12.490 485 3HD1 LEU 60 3HD1 LEU 60 15.689 -15.638 10.835 486 1HD2 LEU 60 1HD2 LEU 60 17.399 -11.912 11.954 487 2HD2 LEU 60 2HD2 LEU 60 16.514 -12.852 13.156 488 3HD2 LEU 60 3HD2 LEU 60 15.646 -12.070 11.833 489 H GLU 61 H GLU 61 20.593 -13.554 13.565 490 HA GLU 61 HA GLU 61 22.282 -15.873 12.921 491 1HB GLU 61 2HB GLU 61 24.155 -14.867 14.067 492 2HB GLU 61 1HB GLU 61 23.588 -13.754 12.836 493 1HG GLU 61 2HG GLU 61 22.938 -13.551 15.767 494 2HG GLU 61 1HG GLU 61 24.228 -12.665 14.959 Start of MODEL 10 1 1H MET 1 1HT MET 1 -4.112 14.986 3.646 2 2H MET 1 2HT MET 1 -3.236 14.333 4.944 3 3H MET 1 3HT MET 1 -2.468 15.359 3.835 4 HA MET 1 HA MET 1 -2.900 16.523 5.864 5 1HB MET 1 2HB MET 1 -4.112 18.440 4.958 6 2HB MET 1 1HB MET 1 -3.017 17.780 3.754 7 1HG MET 1 2HG MET 1 -4.887 18.181 2.503 8 2HG MET 1 1HG MET 1 -5.115 16.489 2.932 9 1HE MET 1 1HE MET 1 -8.783 17.801 2.937 10 2HE MET 1 2HE MET 1 -7.696 16.532 2.379 11 3HE MET 1 3HE MET 1 -7.478 18.192 1.817 12 H SER 2 H SER 2 -4.243 17.112 7.516 13 HA SER 2 HA SER 2 -5.927 16.963 9.017 14 1HB SER 2 2HB SER 2 -7.223 17.918 7.057 15 2HB SER 2 1HB SER 2 -7.743 16.271 6.700 16 HG SER 2 HG SER 2 -8.265 17.811 9.028 17 H LEU 3 H LEU 3 -7.880 15.369 9.656 18 HA LEU 3 HA LEU 3 -6.928 12.623 9.197 19 1HB LEU 3 2HB LEU 3 -7.836 13.916 11.754 20 2HB LEU 3 1HB LEU 3 -7.910 12.179 11.539 21 HG LEU 3 HG LEU 3 -5.914 12.596 12.722 22 1HD1 LEU 3 1HD1 LEU 3 -4.154 11.881 11.179 23 2HD1 LEU 3 2HD1 LEU 3 -5.204 12.264 9.813 24 3HD1 LEU 3 3HD1 LEU 3 -5.654 10.982 10.938 25 1HD2 LEU 3 1HD2 LEU 3 -5.750 14.994 12.337 26 2HD2 LEU 3 2HD2 LEU 3 -5.236 14.703 10.675 27 3HD2 LEU 3 3HD2 LEU 3 -4.210 14.199 12.019 28 H ASP 4 H ASP 4 -8.372 11.874 7.781 29 HA ASP 4 HA ASP 4 -11.207 11.990 8.561 30 1HB ASP 4 2HB ASP 4 -10.656 13.478 6.593 31 2HB ASP 4 1HB ASP 4 -10.238 12.018 5.699 32 HA PRO 5 HA PRO 5 -9.856 7.618 8.484 33 1HB PRO 5 2HB PRO 5 -12.263 7.324 10.163 34 2HB PRO 5 1HB PRO 5 -10.597 6.839 10.488 35 1HG PRO 5 2HG PRO 5 -11.705 8.914 11.758 36 2HG PRO 5 1HG PRO 5 -9.998 8.926 11.276 37 1HD PRO 5 2HD PRO 5 -12.344 10.257 9.969 38 2HD PRO 5 1HD PRO 5 -10.705 10.884 10.252 39 H GLN 6 H GLN 6 -12.609 9.173 7.270 40 HA GLN 6 HA GLN 6 -14.205 6.915 6.587 41 1HB GLN 6 2HB GLN 6 -15.109 9.204 6.674 42 2HB GLN 6 1HB GLN 6 -14.088 9.661 5.319 43 1HG GLN 6 2HG GLN 6 -15.299 7.769 4.057 44 2HG GLN 6 1HG GLN 6 -16.492 7.883 5.351 45 1HE2 GLN 6 1HE2 GLN 6 -17.674 9.822 5.589 46 2HE2 GLN 6 2HE2 GLN 6 -17.807 10.962 4.293 47 H LEU 7 H LEU 7 -11.864 8.889 4.782 48 HA LEU 7 HA LEU 7 -12.025 7.300 2.412 49 1HB LEU 7 2HB LEU 7 -10.141 9.432 3.364 50 2HB LEU 7 1HB LEU 7 -9.798 8.526 1.905 51 HG LEU 7 HG LEU 7 -11.999 9.301 0.989 52 1HD1 LEU 7 1HD1 LEU 7 -13.123 9.827 3.077 53 2HD1 LEU 7 2HD1 LEU 7 -13.059 11.242 2.028 54 3HD1 LEU 7 3HD1 LEU 7 -11.956 11.109 3.397 55 1HD2 LEU 7 1HD2 LEU 7 -11.199 11.555 0.471 56 2HD2 LEU 7 2HD2 LEU 7 -9.912 10.357 0.350 57 3HD2 LEU 7 3HD2 LEU 7 -9.997 11.420 1.756 58 H LEU 8 H LEU 8 -10.315 7.044 5.363 59 HA LEU 8 HA LEU 8 -8.204 5.368 4.344 60 1HB LEU 8 2HB LEU 8 -9.063 5.944 7.184 61 2HB LEU 8 1HB LEU 8 -7.609 5.080 6.723 62 HG LEU 8 HG LEU 8 -8.198 7.971 6.075 63 1HD1 LEU 8 1HD1 LEU 8 -6.420 8.455 7.691 64 2HD1 LEU 8 2HD1 LEU 8 -6.314 6.738 8.084 65 3HD1 LEU 8 3HD1 LEU 8 -7.788 7.636 8.446 66 1HD2 LEU 8 1HD2 LEU 8 -6.810 6.910 4.374 67 2HD2 LEU 8 2HD2 LEU 8 -5.717 6.309 5.621 68 3HD2 LEU 8 3HD2 LEU 8 -5.861 8.045 5.336 69 H GLU 9 H GLU 9 -11.259 4.961 6.026 70 HA GLU 9 HA GLU 9 -12.573 3.176 6.463 71 1HB GLU 9 2HB GLU 9 -11.044 1.918 4.176 72 2HB GLU 9 1HB GLU 9 -12.551 1.313 4.847 73 1HG GLU 9 2HG GLU 9 -13.621 3.469 4.199 74 2HG GLU 9 1HG GLU 9 -12.121 3.902 3.378 75 H VAL 10 H VAL 10 -12.194 0.456 6.421 76 HA VAL 10 HA VAL 10 -10.020 0.081 8.370 77 HB VAL 10 HB VAL 10 -12.467 -1.650 7.961 78 1HG1 VAL 10 1HG1 VAL 10 -10.551 -2.883 8.824 79 2HG1 VAL 10 2HG1 VAL 10 -11.798 -2.713 10.060 80 3HG1 VAL 10 3HG1 VAL 10 -10.357 -1.698 10.113 81 1HG2 VAL 10 1HG2 VAL 10 -13.258 -0.727 10.097 82 2HG2 VAL 10 2HG2 VAL 10 -13.104 0.520 8.859 83 3HG2 VAL 10 3HG2 VAL 10 -11.881 0.374 10.119 84 H LEU 11 H LEU 11 -8.279 -0.629 7.301 85 HA LEU 11 HA LEU 11 -8.644 -2.624 5.177 86 1HB LEU 11 2HB LEU 11 -6.276 -0.849 5.787 87 2HB LEU 11 1HB LEU 11 -6.359 -2.005 4.470 88 HG LEU 11 HG LEU 11 -8.117 0.435 4.770 89 1HD1 LEU 11 1HD1 LEU 11 -6.876 1.303 2.856 90 2HD1 LEU 11 2HD1 LEU 11 -5.836 -0.122 2.878 91 3HD1 LEU 11 3HD1 LEU 11 -5.810 1.011 4.231 92 1HD2 LEU 11 1HD2 LEU 11 -8.863 -0.103 2.500 93 2HD2 LEU 11 2HD2 LEU 11 -9.269 -1.384 3.641 94 3HD2 LEU 11 3HD2 LEU 11 -7.906 -1.585 2.541 95 H ALA 12 H ALA 12 -8.200 -4.660 5.659 96 HA ALA 12 HA ALA 12 -6.184 -5.237 7.706 97 1HB ALA 12 1HB ALA 12 -8.914 -6.515 7.607 98 2HB ALA 12 2HB ALA 12 -8.396 -5.301 8.778 99 3HB ALA 12 3HB ALA 12 -7.625 -6.888 8.752 100 H CYS 13 H CYS 13 -5.240 -7.300 7.569 101 HA CYS 13 HA CYS 13 -4.913 -8.259 4.899 102 1HB CYS 13 2HB CYS 13 -3.457 -9.991 6.135 103 2HB CYS 13 1HB CYS 13 -2.972 -8.298 6.231 104 HG CYS 13 HG CYS 13 -3.042 -10.168 8.702 105 HA PRO 14 HA PRO 14 -8.038 -11.397 4.931 106 1HB PRO 14 2HB PRO 14 -7.109 -12.962 2.925 107 2HB PRO 14 1HB PRO 14 -7.851 -11.383 2.647 108 1HG PRO 14 2HG PRO 14 -4.952 -12.122 2.752 109 2HG PRO 14 1HG PRO 14 -5.792 -11.062 1.605 110 1HD PRO 14 2HD PRO 14 -4.353 -10.104 3.691 111 2HD PRO 14 1HD PRO 14 -5.790 -9.275 3.058 112 H LYS 15 H LYS 15 -4.811 -12.007 5.832 113 HA LYS 15 HA LYS 15 -5.148 -14.861 6.173 114 1HB LYS 15 2HB LYS 15 -2.915 -12.992 6.945 115 2HB LYS 15 1HB LYS 15 -2.905 -14.705 7.325 116 1HG LYS 15 2HG LYS 15 -2.970 -13.494 4.569 117 2HG LYS 15 1HG LYS 15 -1.573 -14.228 5.356 118 1HD LYS 15 2HD LYS 15 -2.970 -16.342 5.531 119 2HD LYS 15 1HD LYS 15 -4.101 -15.563 4.424 120 1HE LYS 15 2HE LYS 15 -2.720 -16.846 3.039 121 2HE LYS 15 1HE LYS 15 -2.083 -15.207 2.898 122 1HZ LYS 15 1HZ LYS 15 -0.336 -16.887 3.169 123 2HZ LYS 15 2HZ LYS 15 -0.979 -17.312 4.684 124 3HZ LYS 15 3HZ LYS 15 -0.334 -15.765 4.446 125 H ASP 16 H ASP 16 -3.867 -12.640 8.611 126 HA ASP 16 HA ASP 16 -5.314 -14.151 10.644 127 1HB ASP 16 2HB ASP 16 -3.797 -13.145 12.234 128 2HB ASP 16 1HB ASP 16 -2.866 -13.743 10.866 129 H LYS 17 H LYS 17 -5.786 -11.425 8.855 130 HA LYS 17 HA LYS 17 -7.207 -9.678 8.913 131 1HB LYS 17 2HB LYS 17 -8.800 -11.521 9.584 132 2HB LYS 17 1HB LYS 17 -8.549 -11.030 11.255 133 1HG LYS 17 2HG LYS 17 -10.566 -10.030 10.483 134 2HG LYS 17 1HG LYS 17 -9.356 -8.755 10.636 135 1HD LYS 17 2HD LYS 17 -10.508 -8.391 8.579 136 2HD LYS 17 1HD LYS 17 -8.907 -9.019 8.178 137 1HE LYS 17 2HE LYS 17 -10.545 -10.121 6.790 138 2HE LYS 17 1HE LYS 17 -9.902 -11.284 7.949 139 1HZ LYS 17 1HZ LYS 17 -11.873 -10.957 9.317 140 2HZ LYS 17 2HZ LYS 17 -12.304 -11.468 7.758 141 3HZ LYS 17 3HZ LYS 17 -12.491 -9.842 8.195 142 H GLY 18 H GLY 18 -5.244 -8.567 9.657 143 1HA GLY 18 2HA GLY 18 -5.823 -7.215 12.212 144 2HA GLY 18 1HA GLY 18 -4.179 -7.654 11.761 145 HA PRO 19 HA PRO 19 -5.704 -3.407 10.053 146 1HB PRO 19 2HB PRO 19 -3.874 -2.308 12.098 147 2HB PRO 19 1HB PRO 19 -5.493 -1.775 11.633 148 1HG PRO 19 2HG PRO 19 -5.069 -3.034 13.949 149 2HG PRO 19 1HG PRO 19 -6.541 -3.319 13.000 150 1HD PRO 19 2HD PRO 19 -4.083 -5.013 13.245 151 2HD PRO 19 1HD PRO 19 -5.791 -5.503 13.193 152 H LEU 20 H LEU 20 -4.607 -2.863 8.304 153 HA LEU 20 HA LEU 20 -1.859 -3.674 7.983 154 1HB LEU 20 2HB LEU 20 -3.729 -2.202 6.123 155 2HB LEU 20 1HB LEU 20 -2.129 -2.774 5.687 156 HG LEU 20 HG LEU 20 -4.439 -4.539 6.516 157 1HD1 LEU 20 1HD1 LEU 20 -4.470 -5.220 4.165 158 2HD1 LEU 20 2HD1 LEU 20 -3.236 -4.015 3.802 159 3HD1 LEU 20 3HD1 LEU 20 -4.830 -3.503 4.353 160 1HD2 LEU 20 1HD2 LEU 20 -3.026 -6.382 5.833 161 2HD2 LEU 20 2HD2 LEU 20 -2.217 -5.442 7.090 162 3HD2 LEU 20 3HD2 LEU 20 -1.732 -5.265 5.403 163 H ARG 21 H ARG 21 -0.085 -2.375 7.709 164 HA ARG 21 HA ARG 21 -0.313 0.355 8.689 165 1HB ARG 21 2HB ARG 21 1.489 -1.006 9.598 166 2HB ARG 21 1HB ARG 21 2.092 -1.344 7.981 167 1HG ARG 21 2HG ARG 21 2.593 1.056 7.700 168 2HG ARG 21 1HG ARG 21 2.056 1.333 9.358 169 1HD ARG 21 2HD ARG 21 3.811 -0.084 10.212 170 2HD ARG 21 1HD ARG 21 4.299 -0.526 8.576 171 HE ARG 21 HE ARG 21 4.379 2.306 9.202 172 1HH1 ARG 21 1HH1 ARG 21 6.177 -0.697 9.066 173 2HH1 ARG 21 2HH1 ARG 21 7.717 0.080 8.929 174 1HH2 ARG 21 1HH2 ARG 21 6.388 3.333 9.025 175 2HH2 ARG 21 2HH2 ARG 21 7.844 2.383 8.876 176 H TYR 22 H TYR 22 -0.551 2.001 7.346 177 HA TYR 22 HA TYR 22 -0.278 1.500 4.489 178 1HB TYR 22 2HB TYR 22 -2.377 2.440 5.199 179 2HB TYR 22 1HB TYR 22 -1.564 3.751 6.043 180 HD1 TYR 22 1HD TYR 22 -1.209 2.362 2.576 181 HD2 TYR 22 2HD TYR 22 -2.057 5.746 5.013 182 HE1 TYR 22 1HE TYR 22 -1.379 3.766 0.562 183 HE2 TYR 22 2HE TYR 22 -2.231 7.153 3.007 184 HH TYR 22 HH TYR 22 -2.371 5.847 -0.153 185 H LEU 23 H LEU 23 1.601 1.884 3.602 186 HA LEU 23 HA LEU 23 3.350 3.995 4.542 187 1HB LEU 23 2HB LEU 23 4.274 1.863 3.703 188 2HB LEU 23 1HB LEU 23 3.570 2.182 2.130 189 HG LEU 23 HG LEU 23 5.015 4.189 1.927 190 1HD1 LEU 23 1HD1 LEU 23 6.231 3.162 4.485 191 2HD1 LEU 23 2HD1 LEU 23 5.364 4.684 4.271 192 3HD1 LEU 23 3HD1 LEU 23 6.913 4.430 3.468 193 1HD2 LEU 23 1HD2 LEU 23 6.454 1.595 2.443 194 2HD2 LEU 23 2HD2 LEU 23 7.100 2.964 1.540 195 3HD2 LEU 23 3HD2 LEU 23 5.697 2.086 0.928 196 H GLU 24 H GLU 24 2.676 5.993 4.108 197 HA GLU 24 HA GLU 24 0.887 6.595 1.962 198 1HB GLU 24 2HB GLU 24 2.430 8.523 3.706 199 2HB GLU 24 1HB GLU 24 0.950 8.851 2.814 200 1HG GLU 24 2HG GLU 24 -0.279 7.317 4.237 201 2HG GLU 24 1HG GLU 24 1.201 6.915 5.106 202 H SER 25 H SER 25 4.299 6.679 2.421 203 HA SER 25 HA SER 25 5.042 8.604 0.537 204 1HB SER 25 2HB SER 25 6.643 6.142 1.237 205 2HB SER 25 1HB SER 25 7.247 7.731 0.764 206 HG SER 25 HG SER 25 7.255 8.191 2.807 207 H GLU 26 H GLU 26 4.652 5.068 0.145 208 HA GLU 26 HA GLU 26 4.955 5.492 -2.754 209 1HB GLU 26 2HB GLU 26 6.131 3.241 -1.119 210 2HB GLU 26 1HB GLU 26 6.194 3.358 -2.872 211 1HG GLU 26 2HG GLU 26 7.446 5.480 -2.640 212 2HG GLU 26 1HG GLU 26 7.459 5.238 -0.894 213 H GLN 27 H GLN 27 2.632 4.941 -0.802 214 HA GLN 27 HA GLN 27 0.628 3.870 -0.851 215 1HB GLN 27 2HB GLN 27 1.418 3.409 -3.732 216 2HB GLN 27 1HB GLN 27 -0.188 3.127 -3.079 217 1HG GLN 27 2HG GLN 27 1.195 5.798 -3.061 218 2HG GLN 27 1HG GLN 27 0.065 5.270 -4.307 219 1HE2 GLN 27 1HE2 GLN 27 -0.098 7.516 -2.436 220 2HE2 GLN 27 2HE2 GLN 27 -1.579 7.292 -1.568 221 H LEU 28 H LEU 28 1.743 2.275 0.589 222 HA LEU 28 HA LEU 28 1.459 -0.402 -0.569 223 1HB LEU 28 2HB LEU 28 3.795 0.547 1.090 224 2HB LEU 28 1HB LEU 28 3.436 -1.145 0.803 225 HG LEU 28 HG LEU 28 4.112 0.874 -1.340 226 1HD1 LEU 28 1HD1 LEU 28 6.033 0.401 0.069 227 2HD1 LEU 28 2HD1 LEU 28 6.225 -0.369 -1.508 228 3HD1 LEU 28 3HD1 LEU 28 5.756 -1.332 -0.107 229 1HD2 LEU 28 1HD2 LEU 28 4.283 -1.089 -2.796 230 2HD2 LEU 28 2HD2 LEU 28 2.652 -0.900 -2.151 231 3HD2 LEU 28 3HD2 LEU 28 3.734 -2.117 -1.472 232 H LEU 29 H LEU 29 0.539 -1.886 0.778 233 HA LEU 29 HA LEU 29 -0.114 -0.983 3.507 234 1HB LEU 29 2HB LEU 29 -1.536 -2.980 1.734 235 2HB LEU 29 1HB LEU 29 -1.961 -2.652 3.403 236 HG LEU 29 HG LEU 29 -2.071 -0.616 1.177 237 1HD1 LEU 29 1HD1 LEU 29 -3.714 -2.439 0.920 238 2HD1 LEU 29 2HD1 LEU 29 -4.472 -0.888 1.281 239 3HD1 LEU 29 3HD1 LEU 29 -4.307 -2.104 2.548 240 1HD2 LEU 29 1HD2 LEU 29 -3.335 0.705 2.829 241 2HD2 LEU 29 2HD2 LEU 29 -1.680 0.389 3.356 242 3HD2 LEU 29 3HD2 LEU 29 -3.017 -0.536 4.043 243 H VAL 30 H VAL 30 1.246 -1.873 4.932 244 HA VAL 30 HA VAL 30 2.239 -4.599 4.365 245 HB VAL 30 HB VAL 30 3.666 -2.454 5.954 246 1HG1 VAL 30 1HG1 VAL 30 4.237 -4.744 6.606 247 2HG1 VAL 30 2HG1 VAL 30 5.592 -3.941 5.812 248 3HG1 VAL 30 3HG1 VAL 30 4.627 -5.124 4.930 249 1HG2 VAL 30 1HG2 VAL 30 4.219 -3.389 3.138 250 2HG2 VAL 30 2HG2 VAL 30 5.157 -2.207 4.052 251 3HG2 VAL 30 3HG2 VAL 30 3.498 -1.840 3.579 252 H ASN 31 H ASN 31 1.944 -6.140 5.894 253 HA ASN 31 HA ASN 31 0.966 -5.209 8.520 254 1HB ASN 31 2HB ASN 31 -0.684 -6.579 7.332 255 2HB ASN 31 1HB ASN 31 0.498 -7.874 7.170 256 1HD2 ASN 31 1HD2 ASN 31 -0.856 -9.297 8.277 257 2HD2 ASN 31 2HD2 ASN 31 -1.076 -9.211 9.987 258 H GLU 32 H GLU 32 2.431 -5.317 10.055 259 HA GLU 32 HA GLU 32 4.883 -6.748 9.732 260 1HB GLU 32 2HB GLU 32 3.785 -5.402 12.204 261 2HB GLU 32 1HB GLU 32 5.452 -5.885 11.938 262 1HG GLU 32 2HG GLU 32 5.622 -4.280 10.100 263 2HG GLU 32 1HG GLU 32 3.952 -3.791 10.382 264 H ARG 33 H ARG 33 1.819 -7.545 10.954 265 HA ARG 33 HA ARG 33 2.586 -9.501 12.874 266 1HB ARG 33 2HB ARG 33 0.003 -9.280 11.312 267 2HB ARG 33 1HB ARG 33 0.249 -10.203 12.788 268 1HG ARG 33 2HG ARG 33 0.532 -8.225 14.076 269 2HG ARG 33 1HG ARG 33 0.608 -7.222 12.628 270 1HD ARG 33 2HD ARG 33 -1.565 -6.975 13.649 271 2HD ARG 33 1HD ARG 33 -1.736 -7.840 12.123 272 HE ARG 33 HE ARG 33 -2.207 -9.820 13.307 273 1HH1 ARG 33 1HH1 ARG 33 -1.864 -6.998 15.374 274 2HH1 ARG 33 2HH1 ARG 33 -2.496 -7.798 16.786 275 1HH2 ARG 33 1HH2 ARG 33 -3.072 -10.856 15.170 276 2HH2 ARG 33 2HH2 ARG 33 -3.197 -9.976 16.661 277 H LEU 34 H LEU 34 2.494 -9.445 9.450 278 HA LEU 34 HA LEU 34 2.864 -12.372 9.354 279 1HB LEU 34 2HB LEU 34 1.683 -10.599 7.213 280 2HB LEU 34 1HB LEU 34 1.921 -12.331 7.092 281 HG LEU 34 HG LEU 34 0.081 -11.016 9.088 282 1HD1 LEU 34 1HD1 LEU 34 -0.566 -12.369 6.474 283 2HD1 LEU 34 2HD1 LEU 34 -0.642 -10.634 6.773 284 3HD1 LEU 34 3HD1 LEU 34 -1.728 -11.726 7.635 285 1HD2 LEU 34 1HD2 LEU 34 0.908 -13.215 9.773 286 2HD2 LEU 34 2HD2 LEU 34 0.404 -13.890 8.223 287 3HD2 LEU 34 3HD2 LEU 34 -0.805 -13.282 9.353 288 H ASN 35 H ASN 35 4.197 -9.320 8.741 289 HA ASN 35 HA ASN 35 6.042 -8.534 7.690 290 1HB ASN 35 2HB ASN 35 6.771 -11.467 7.680 291 2HB ASN 35 1HB ASN 35 7.833 -10.222 7.021 292 1HD2 ASN 35 1HD2 ASN 35 8.844 -8.787 8.402 293 2HD2 ASN 35 2HD2 ASN 35 8.908 -9.040 10.112 294 H LEU 36 H LEU 36 3.615 -9.205 6.272 295 HA LEU 36 HA LEU 36 4.702 -9.588 3.561 296 1HB LEU 36 2HB LEU 36 1.960 -10.306 4.609 297 2HB LEU 36 1HB LEU 36 2.449 -10.412 2.928 298 HG LEU 36 HG LEU 36 3.638 -12.018 5.195 299 1HD1 LEU 36 1HD1 LEU 36 1.337 -12.669 4.667 300 2HD1 LEU 36 2HD1 LEU 36 2.493 -13.909 4.179 301 3HD1 LEU 36 3HD1 LEU 36 1.781 -12.841 2.968 302 1HD2 LEU 36 1HD2 LEU 36 4.095 -12.170 2.215 303 2HD2 LEU 36 2HD2 LEU 36 4.763 -13.269 3.421 304 3HD2 LEU 36 3HD2 LEU 36 5.249 -11.575 3.407 305 H ALA 37 H ALA 37 3.943 -8.231 1.948 306 HA ALA 37 HA ALA 37 2.390 -5.903 2.871 307 1HB ALA 37 1HB ALA 37 4.754 -5.345 2.533 308 2HB ALA 37 2HB ALA 37 3.713 -4.507 1.381 309 3HB ALA 37 3HB ALA 37 4.644 -5.916 0.868 310 H TYR 38 H TYR 38 0.815 -5.163 1.587 311 HA TYR 38 HA TYR 38 0.234 -6.682 -0.861 312 1HB TYR 38 2HB TYR 38 -1.668 -5.077 0.867 313 2HB TYR 38 1HB TYR 38 -2.106 -6.059 -0.529 314 HD1 TYR 38 1HD TYR 38 -1.378 -6.054 3.016 315 HD2 TYR 38 2HD TYR 38 -1.881 -8.548 -0.396 316 HE1 TYR 38 1HE TYR 38 -1.662 -8.001 4.488 317 HE2 TYR 38 2HE TYR 38 -2.166 -10.503 1.071 318 HH TYR 38 HH TYR 38 -1.524 -11.180 3.377 319 H ARG 39 H ARG 39 -0.389 -5.518 -2.721 320 HA ARG 39 HA ARG 39 1.054 -2.992 -2.835 321 1HB ARG 39 2HB ARG 39 -0.079 -4.677 -5.074 322 2HB ARG 39 1HB ARG 39 1.012 -3.308 -5.252 323 1HG ARG 39 2HG ARG 39 2.796 -4.498 -4.226 324 2HG ARG 39 1HG ARG 39 1.717 -5.813 -3.747 325 1HD ARG 39 2HD ARG 39 1.300 -6.303 -6.121 326 2HD ARG 39 1HD ARG 39 2.428 -5.025 -6.570 327 HE ARG 39 HE ARG 39 4.150 -6.376 -5.375 328 1HH1 ARG 39 1HH1 ARG 39 1.265 -7.913 -6.652 329 2HH1 ARG 39 2HH1 ARG 39 2.039 -9.455 -6.858 330 1HH2 ARG 39 1HH2 ARG 39 5.151 -8.392 -5.629 331 2HH2 ARG 39 2HH2 ARG 39 4.232 -9.746 -6.229 332 H ILE 40 H ILE 40 0.146 -1.048 -3.252 333 HA ILE 40 HA ILE 40 -2.687 -0.972 -4.025 334 HB ILE 40 HB ILE 40 -0.878 1.291 -3.139 335 1HG1 ILE 40 2HG1 ILE 40 -3.121 -0.109 -1.664 336 2HG1 ILE 40 1HG1 ILE 40 -1.404 -0.298 -1.328 337 1HG2 ILE 40 1HG2 ILE 40 -2.614 2.045 -4.672 338 2HG2 ILE 40 2HG2 ILE 40 -2.941 2.623 -3.039 339 3HG2 ILE 40 3HG2 ILE 40 -3.845 1.256 -3.688 340 1HD1 ILE 40 1HD1 ILE 40 -2.990 2.244 -1.036 341 2HD1 ILE 40 2HD1 ILE 40 -1.270 2.057 -0.701 342 3HD1 ILE 40 3HD1 ILE 40 -2.455 1.192 0.275 343 H ASP 41 H ASP 41 -3.004 -0.921 -6.160 344 HA ASP 41 HA ASP 41 -0.789 0.108 -7.815 345 1HB ASP 41 2HB ASP 41 -1.039 -2.367 -7.863 346 2HB ASP 41 1HB ASP 41 -2.668 -2.162 -8.497 347 H ASP 42 H ASP 42 -1.405 2.016 -8.463 348 HA ASP 42 HA ASP 42 -2.543 3.701 -9.449 349 1HB ASP 42 2HB ASP 42 -2.361 2.122 -11.372 350 2HB ASP 42 1HB ASP 42 -3.957 1.502 -10.966 351 H GLY 43 H GLY 43 -3.494 3.759 -7.175 352 1HA GLY 43 2HA GLY 43 -5.300 4.676 -6.074 353 2HA GLY 43 1HA GLY 43 -6.236 4.499 -7.546 354 H ILE 44 H ILE 44 -5.196 1.472 -7.153 355 HA ILE 44 HA ILE 44 -7.453 0.791 -5.386 356 HB ILE 44 HB ILE 44 -6.578 -0.681 -7.879 357 1HG1 ILE 44 2HG1 ILE 44 -9.128 0.821 -7.236 358 2HG1 ILE 44 1HG1 ILE 44 -7.856 1.379 -8.315 359 1HG2 ILE 44 1HG2 ILE 44 -8.783 -1.335 -5.926 360 2HG2 ILE 44 2HG2 ILE 44 -7.287 -2.243 -6.149 361 3HG2 ILE 44 3HG2 ILE 44 -8.477 -2.170 -7.448 362 1HD1 ILE 44 1HD1 ILE 44 -9.721 0.500 -9.572 363 2HD1 ILE 44 2HD1 ILE 44 -9.596 -1.041 -8.720 364 3HD1 ILE 44 3HD1 ILE 44 -8.298 -0.519 -9.795 365 HA PRO 45 HA PRO 45 -4.199 -1.454 -3.209 366 1HB PRO 45 2HB PRO 45 -6.318 -1.930 -1.251 367 2HB PRO 45 1HB PRO 45 -4.800 -1.048 -1.056 368 1HG PRO 45 2HG PRO 45 -7.209 0.186 -1.068 369 2HG PRO 45 1HG PRO 45 -5.734 0.964 -1.673 370 1HD PRO 45 2HD PRO 45 -7.953 -0.349 -3.204 371 2HD PRO 45 1HD PRO 45 -7.074 1.155 -3.560 372 H VAL 46 H VAL 46 -3.798 -3.483 -3.854 373 HA VAL 46 HA VAL 46 -6.058 -5.220 -4.498 374 HB VAL 46 HB VAL 46 -3.128 -5.705 -5.037 375 1HG1 VAL 46 1HG1 VAL 46 -3.945 -7.297 -6.701 376 2HG1 VAL 46 2HG1 VAL 46 -5.607 -6.939 -6.227 377 3HG1 VAL 46 3HG1 VAL 46 -4.509 -7.710 -5.080 378 1HG2 VAL 46 1HG2 VAL 46 -3.561 -4.933 -7.319 379 2HG2 VAL 46 2HG2 VAL 46 -3.840 -3.651 -6.140 380 3HG2 VAL 46 3HG2 VAL 46 -5.209 -4.499 -6.860 381 H LEU 47 H LEU 47 -6.758 -6.013 -2.567 382 HA LEU 47 HA LEU 47 -4.850 -7.236 -0.737 383 1HB LEU 47 2HB LEU 47 -7.855 -6.963 -0.540 384 2HB LEU 47 1HB LEU 47 -6.806 -7.586 0.718 385 HG LEU 47 HG LEU 47 -6.790 -4.760 -0.348 386 1HD1 LEU 47 1HD1 LEU 47 -7.707 -5.877 2.300 387 2HD1 LEU 47 2HD1 LEU 47 -8.748 -5.262 1.016 388 3HD1 LEU 47 3HD1 LEU 47 -7.649 -4.171 1.860 389 1HD2 LEU 47 1HD2 LEU 47 -4.561 -5.488 0.322 390 2HD2 LEU 47 2HD2 LEU 47 -5.191 -6.025 1.879 391 3HD2 LEU 47 3HD2 LEU 47 -5.207 -4.310 1.465 392 H LEU 48 H LEU 48 -4.150 -8.972 -1.971 393 HA LEU 48 HA LEU 48 -6.057 -11.199 -2.069 394 1HB LEU 48 2HB LEU 48 -4.059 -10.458 -4.217 395 2HB LEU 48 1HB LEU 48 -4.910 -11.988 -4.153 396 HG LEU 48 HG LEU 48 -6.199 -9.281 -4.502 397 1HD1 LEU 48 1HD1 LEU 48 -5.806 -11.535 -6.466 398 2HD1 LEU 48 2HD1 LEU 48 -4.914 -10.014 -6.458 399 3HD1 LEU 48 3HD1 LEU 48 -6.649 -10.017 -6.774 400 1HD2 LEU 48 1HD2 LEU 48 -8.241 -10.559 -4.945 401 2HD2 LEU 48 2HD2 LEU 48 -7.652 -10.825 -3.305 402 3HD2 LEU 48 3HD2 LEU 48 -7.390 -12.051 -4.544 403 H ILE 49 H ILE 49 -4.927 -13.322 -2.133 404 HA ILE 49 HA ILE 49 -2.837 -13.332 -0.155 405 HB ILE 49 HB ILE 49 -4.075 -15.628 -1.684 406 1HG1 ILE 49 2HG1 ILE 49 -4.619 -14.583 1.103 407 2HG1 ILE 49 1HG1 ILE 49 -5.682 -14.400 -0.287 408 1HG2 ILE 49 1HG2 ILE 49 -2.339 -15.670 0.787 409 2HG2 ILE 49 2HG2 ILE 49 -1.852 -16.182 -0.830 410 3HG2 ILE 49 3HG2 ILE 49 -3.109 -17.069 0.034 411 1HD1 ILE 49 1HD1 ILE 49 -5.965 -16.825 -0.387 412 2HD1 ILE 49 2HD1 ILE 49 -6.458 -16.171 1.175 413 3HD1 ILE 49 3HD1 ILE 49 -4.911 -17.002 1.014 414 H ASP 50 H ASP 50 -3.135 -13.977 -3.595 415 HA ASP 50 HA ASP 50 -0.469 -14.981 -3.894 416 1HB ASP 50 2HB ASP 50 -2.535 -14.090 -5.914 417 2HB ASP 50 1HB ASP 50 -0.955 -14.730 -6.360 418 H GLU 51 H GLU 51 -1.846 -11.866 -3.729 419 HA GLU 51 HA GLU 51 0.332 -10.568 -5.143 420 1HB GLU 51 2HB GLU 51 -2.109 -9.526 -3.717 421 2HB GLU 51 1HB GLU 51 -0.863 -8.462 -4.355 422 1HG GLU 51 2HG GLU 51 -2.454 -10.432 -5.978 423 2HG GLU 51 1HG GLU 51 -2.782 -8.702 -5.865 424 H ALA 52 H ALA 52 -0.117 -11.822 -2.110 425 HA ALA 52 HA ALA 52 1.046 -9.834 -0.468 426 1HB ALA 52 1HB ALA 52 0.979 -12.820 -0.061 427 2HB ALA 52 2HB ALA 52 -0.273 -11.685 0.445 428 3HB ALA 52 3HB ALA 52 1.331 -11.611 1.175 429 H THR 53 H THR 53 3.036 -9.090 -0.592 430 HA THR 53 HA THR 53 5.169 -10.846 -1.611 431 HB THR 53 HB THR 53 5.387 -7.862 -1.273 432 HG1 THR 53 1HG THR 53 3.567 -8.909 -2.751 433 1HG2 THR 53 1HG2 THR 53 7.439 -9.142 -1.714 434 2HG2 THR 53 2HG2 THR 53 7.038 -8.073 -3.058 435 3HG2 THR 53 3HG2 THR 53 6.707 -9.802 -3.174 436 H GLU 54 H GLU 54 7.139 -10.976 -0.449 437 HA GLU 54 HA GLU 54 6.905 -10.719 2.398 438 1HB GLU 54 2HB GLU 54 9.381 -11.325 0.762 439 2HB GLU 54 1HB GLU 54 9.147 -11.648 2.475 440 1HG GLU 54 2HG GLU 54 7.446 -13.290 1.965 441 2HG GLU 54 1HG GLU 54 7.582 -12.929 0.245 442 H TRP 55 H TRP 55 7.437 -8.984 3.600 443 HA TRP 55 HA TRP 55 9.177 -6.947 2.398 444 1HB TRP 55 2HB TRP 55 6.767 -6.374 2.008 445 2HB TRP 55 1HB TRP 55 6.550 -6.312 3.753 446 HD1 TRP 55 HD TRP 55 7.436 -4.167 5.019 447 HE1 TRP 55 1HE TRP 55 8.294 -1.873 4.212 448 HE3 TRP 55 3HE TRP 55 8.115 -5.260 0.068 449 HZ2 TRP 55 2HZ TRP 55 9.138 -0.694 1.790 450 HZ3 TRP 55 3HZ TRP 55 8.951 -3.491 -1.425 451 HH2 TRP 55 HH TRP 55 9.450 -1.258 -0.580 452 H THR 56 H THR 56 10.710 -6.360 3.729 453 HA THR 56 HA THR 56 11.956 -6.008 5.568 454 HB THR 56 HB THR 56 9.279 -5.653 6.903 455 HG1 THR 56 1HG THR 56 9.380 -3.939 5.642 456 1HG2 THR 56 1HG2 THR 56 10.503 -4.411 8.635 457 2HG2 THR 56 2HG2 THR 56 12.028 -4.845 7.862 458 3HG2 THR 56 3HG2 THR 56 11.013 -6.100 8.575 459 HA PRO 57 HA PRO 57 11.723 -10.192 7.323 460 1HB PRO 57 2HB PRO 57 14.123 -11.036 6.513 461 2HB PRO 57 1HB PRO 57 12.738 -11.032 5.417 462 1HG PRO 57 2HG PRO 57 15.040 -9.144 5.565 463 2HG PRO 57 1HG PRO 57 14.164 -9.742 4.145 464 1HD PRO 57 2HD PRO 57 13.770 -7.272 5.400 465 2HD PRO 57 1HD PRO 57 12.664 -8.043 4.247 466 H ASN 58 H ASN 58 13.013 -11.065 9.071 467 HA ASN 58 HA ASN 58 14.061 -9.144 10.848 468 1HB ASN 58 2HB ASN 58 14.362 -12.159 10.825 469 2HB ASN 58 1HB ASN 58 14.870 -11.123 12.156 470 1HD2 ASN 58 1HD2 ASN 58 13.358 -10.237 13.514 471 2HD2 ASN 58 2HD2 ASN 58 11.688 -10.714 13.486 472 H ASN 59 H ASN 59 16.178 -8.627 11.404 473 HA ASN 59 HA ASN 59 18.067 -8.882 9.230 474 1HB ASN 59 2HB ASN 59 17.625 -6.781 10.605 475 2HB ASN 59 1HB ASN 59 18.525 -7.551 11.905 476 1HD2 ASN 59 1HD2 ASN 59 18.709 -6.187 8.708 477 2HD2 ASN 59 2HD2 ASN 59 20.426 -5.975 8.678 478 H LEU 60 H LEU 60 17.651 -11.357 10.115 479 HA LEU 60 HA LEU 60 18.467 -13.238 11.081 480 1HB LEU 60 2HB LEU 60 20.134 -12.630 9.298 481 2HB LEU 60 1HB LEU 60 21.122 -11.902 10.550 482 HG LEU 60 HG LEU 60 21.265 -14.108 11.668 483 1HD1 LEU 60 1HD1 LEU 60 20.607 -16.113 10.406 484 2HD1 LEU 60 2HD1 LEU 60 19.853 -15.081 9.191 485 3HD1 LEU 60 3HD1 LEU 60 19.223 -15.109 10.838 486 1HD2 LEU 60 1HD2 LEU 60 23.027 -13.330 10.142 487 2HD2 LEU 60 2HD2 LEU 60 22.185 -14.094 8.794 488 3HD2 LEU 60 3HD2 LEU 60 22.847 -15.083 10.095 489 H GLU 61 H GLU 61 17.550 -12.104 13.098 490 HA GLU 61 HA GLU 61 19.431 -10.960 14.930 491 1HB GLU 61 2HB GLU 61 16.526 -11.701 15.294 492 2HB GLU 61 1HB GLU 61 17.480 -10.738 16.417 493 1HG GLU 61 2HG GLU 61 17.748 -9.000 14.772 494 2HG GLU 61 1HG GLU 61 16.930 -9.980 13.556 Start of MODEL 11 1 1H MET 1 1HT MET 1 -3.031 18.738 1.908 2 2H MET 1 2HT MET 1 -3.739 17.503 0.985 3 3H MET 1 3HT MET 1 -2.059 17.663 1.030 4 HA MET 1 HA MET 1 -2.735 15.832 2.413 5 1HB MET 1 2HB MET 1 -1.861 18.239 4.031 6 2HB MET 1 1HB MET 1 -1.716 16.564 4.544 7 1HG MET 1 2HG MET 1 -0.351 17.788 2.156 8 2HG MET 1 1HG MET 1 0.400 17.478 3.720 9 1HE MET 1 1HE MET 1 1.511 16.444 0.865 10 2HE MET 1 2HE MET 1 2.044 14.828 1.325 11 3HE MET 1 3HE MET 1 2.333 16.193 2.403 12 H SER 2 H SER 2 -4.585 14.989 3.119 13 HA SER 2 HA SER 2 -6.328 16.615 4.835 14 1HB SER 2 2HB SER 2 -7.510 14.983 2.594 15 2HB SER 2 1HB SER 2 -8.246 16.297 3.511 16 HG SER 2 HG SER 2 -6.798 17.740 2.459 17 H LEU 3 H LEU 3 -7.430 15.419 6.379 18 HA LEU 3 HA LEU 3 -6.788 12.594 6.589 19 1HB LEU 3 2HB LEU 3 -7.012 14.351 8.515 20 2HB LEU 3 1HB LEU 3 -8.730 14.050 8.360 21 HG LEU 3 HG LEU 3 -7.684 12.754 10.184 22 1HD1 LEU 3 1HD1 LEU 3 -8.724 11.051 7.927 23 2HD1 LEU 3 2HD1 LEU 3 -9.700 11.888 9.136 24 3HD1 LEU 3 3HD1 LEU 3 -8.628 10.573 9.623 25 1HD2 LEU 3 1HD2 LEU 3 -5.479 12.444 9.178 26 2HD2 LEU 3 2HD2 LEU 3 -6.180 11.369 7.966 27 3HD2 LEU 3 3HD2 LEU 3 -6.184 10.902 9.667 28 H ASP 4 H ASP 4 -7.829 11.567 4.948 29 HA ASP 4 HA ASP 4 -10.728 12.001 4.703 30 1HB ASP 4 2HB ASP 4 -9.352 12.933 2.812 31 2HB ASP 4 1HB ASP 4 -8.880 11.281 2.427 32 HA PRO 5 HA PRO 5 -10.275 7.610 5.986 33 1HB PRO 5 2HB PRO 5 -13.193 8.060 6.329 34 2HB PRO 5 1HB PRO 5 -12.026 7.333 7.437 35 1HG PRO 5 2HG PRO 5 -12.961 9.787 7.872 36 2HG PRO 5 1HG PRO 5 -11.259 9.390 8.192 37 1HD PRO 5 2HD PRO 5 -12.463 10.873 5.892 38 2HD PRO 5 1HD PRO 5 -10.947 11.181 6.764 39 H GLN 6 H GLN 6 -12.336 9.165 3.642 40 HA GLN 6 HA GLN 6 -13.574 6.869 2.553 41 1HB GLN 6 2HB GLN 6 -13.063 9.643 1.530 42 2HB GLN 6 1HB GLN 6 -13.694 8.415 0.447 43 1HG GLN 6 2HG GLN 6 -15.437 9.844 1.413 44 2HG GLN 6 1HG GLN 6 -15.650 8.142 1.814 45 1HE2 GLN 6 1HE2 GLN 6 -15.459 7.478 3.928 46 2HE2 GLN 6 2HE2 GLN 6 -15.404 8.592 5.251 47 H LEU 7 H LEU 7 -10.669 8.671 1.599 48 HA LEU 7 HA LEU 7 -10.006 6.762 -0.459 49 1HB LEU 7 2HB LEU 7 -8.455 9.083 0.687 50 2HB LEU 7 1HB LEU 7 -7.935 8.120 -0.683 51 HG LEU 7 HG LEU 7 -10.447 9.797 -0.599 52 1HD1 LEU 7 1HD1 LEU 7 -9.265 11.271 -2.146 53 2HD1 LEU 7 2HD1 LEU 7 -7.815 10.279 -1.985 54 3HD1 LEU 7 3HD1 LEU 7 -8.431 11.169 -0.594 55 1HD2 LEU 7 1HD2 LEU 7 -10.576 9.334 -2.985 56 2HD2 LEU 7 2HD2 LEU 7 -10.624 7.833 -2.060 57 3HD2 LEU 7 3HD2 LEU 7 -9.140 8.319 -2.880 58 H LEU 8 H LEU 8 -9.850 6.514 2.777 59 HA LEU 8 HA LEU 8 -7.264 5.122 2.773 60 1HB LEU 8 2HB LEU 8 -8.895 6.182 5.078 61 2HB LEU 8 1HB LEU 8 -7.413 5.262 5.253 62 HG LEU 8 HG LEU 8 -7.657 7.962 3.926 63 1HD1 LEU 8 1HD1 LEU 8 -6.425 7.166 6.560 64 2HD1 LEU 8 2HD1 LEU 8 -7.935 8.052 6.353 65 3HD1 LEU 8 3HD1 LEU 8 -6.409 8.781 5.852 66 1HD2 LEU 8 1HD2 LEU 8 -5.213 6.290 4.515 67 2HD2 LEU 8 2HD2 LEU 8 -5.224 7.918 3.835 68 3HD2 LEU 8 3HD2 LEU 8 -5.908 6.576 2.917 69 H GLU 9 H GLU 9 -10.613 4.791 3.925 70 HA GLU 9 HA GLU 9 -11.925 2.986 4.356 71 1HB GLU 9 2HB GLU 9 -9.827 1.606 2.685 72 2HB GLU 9 1HB GLU 9 -11.197 0.746 3.368 73 1HG GLU 9 2HG GLU 9 -11.477 3.134 1.571 74 2HG GLU 9 1HG GLU 9 -11.443 1.471 0.986 75 H VAL 10 H VAL 10 -11.897 0.771 5.494 76 HA VAL 10 HA VAL 10 -9.940 0.864 7.650 77 HB VAL 10 HB VAL 10 -12.292 -1.004 7.282 78 1HG1 VAL 10 1HG1 VAL 10 -10.549 -0.493 9.695 79 2HG1 VAL 10 2HG1 VAL 10 -10.526 -1.945 8.694 80 3HG1 VAL 10 3HG1 VAL 10 -11.962 -1.549 9.639 81 1HG2 VAL 10 1HG2 VAL 10 -12.015 1.460 9.006 82 2HG2 VAL 10 2HG2 VAL 10 -13.401 0.373 8.964 83 3HG2 VAL 10 3HG2 VAL 10 -12.990 1.326 7.542 84 H LEU 11 H LEU 11 -8.049 0.132 6.929 85 HA LEU 11 HA LEU 11 -7.835 -1.910 4.937 86 1HB LEU 11 2HB LEU 11 -5.714 -0.582 6.624 87 2HB LEU 11 1HB LEU 11 -5.422 -1.576 5.208 88 HG LEU 11 HG LEU 11 -6.972 1.013 5.149 89 1HD1 LEU 11 1HD1 LEU 11 -4.954 1.950 4.086 90 2HD1 LEU 11 2HD1 LEU 11 -4.087 0.461 4.467 91 3HD1 LEU 11 3HD1 LEU 11 -4.691 1.489 5.767 92 1HD2 LEU 11 1HD2 LEU 11 -5.814 -0.680 2.934 93 2HD2 LEU 11 2HD2 LEU 11 -6.681 0.842 2.737 94 3HD2 LEU 11 3HD2 LEU 11 -7.521 -0.576 3.361 95 H ALA 12 H ALA 12 -8.212 -3.953 5.425 96 HA ALA 12 HA ALA 12 -6.917 -5.078 7.820 97 1HB ALA 12 1HB ALA 12 -8.773 -6.635 8.063 98 2HB ALA 12 2HB ALA 12 -9.575 -5.920 6.664 99 3HB ALA 12 3HB ALA 12 -9.351 -4.970 8.131 100 H CYS 13 H CYS 13 -6.044 -7.146 7.589 101 HA CYS 13 HA CYS 13 -5.066 -7.721 4.960 102 1HB CYS 13 2HB CYS 13 -4.753 -9.425 7.431 103 2HB CYS 13 1HB CYS 13 -3.701 -9.369 6.021 104 HG CYS 13 HG CYS 13 -4.101 -6.613 7.990 105 HA PRO 14 HA PRO 14 -8.094 -10.821 3.822 106 1HB PRO 14 2HB PRO 14 -5.990 -12.019 2.159 107 2HB PRO 14 1HB PRO 14 -7.522 -11.289 1.671 108 1HG PRO 14 2HG PRO 14 -5.156 -10.098 1.187 109 2HG PRO 14 1HG PRO 14 -6.623 -9.170 1.542 110 1HD PRO 14 2HD PRO 14 -4.325 -9.846 3.341 111 2HD PRO 14 1HD PRO 14 -5.230 -8.325 3.189 112 H LYS 15 H LYS 15 -4.900 -11.531 4.975 113 HA LYS 15 HA LYS 15 -5.487 -14.345 5.458 114 1HB LYS 15 2HB LYS 15 -2.999 -12.729 6.043 115 2HB LYS 15 1HB LYS 15 -3.149 -14.469 6.224 116 1HG LYS 15 2HG LYS 15 -3.564 -13.093 3.590 117 2HG LYS 15 1HG LYS 15 -1.974 -13.611 4.150 118 1HD LYS 15 2HD LYS 15 -4.375 -15.410 3.808 119 2HD LYS 15 1HD LYS 15 -3.036 -15.270 2.668 120 1HE LYS 15 2HE LYS 15 -1.520 -15.932 4.594 121 2HE LYS 15 1HE LYS 15 -2.989 -16.351 5.474 122 1HZ LYS 15 1HZ LYS 15 -2.039 -17.542 2.926 123 2HZ LYS 15 2HZ LYS 15 -3.551 -17.871 3.627 124 3HZ LYS 15 3HZ LYS 15 -2.129 -18.303 4.441 125 H ASP 16 H ASP 16 -4.115 -11.718 7.420 126 HA ASP 16 HA ASP 16 -4.828 -13.136 9.852 127 1HB ASP 16 2HB ASP 16 -2.566 -12.143 9.499 128 2HB ASP 16 1HB ASP 16 -3.303 -10.547 9.482 129 H LYS 17 H LYS 17 -6.027 -10.593 7.942 130 HA LYS 17 HA LYS 17 -7.609 -9.009 8.142 131 1HB LYS 17 2HB LYS 17 -8.528 -10.834 10.354 132 2HB LYS 17 1HB LYS 17 -9.426 -9.405 9.856 133 1HG LYS 17 2HG LYS 17 -9.244 -10.460 7.483 134 2HG LYS 17 1HG LYS 17 -8.952 -11.952 8.385 135 1HD LYS 17 2HD LYS 17 -11.046 -11.761 9.513 136 2HD LYS 17 1HD LYS 17 -11.309 -10.137 8.871 137 1HE LYS 17 2HE LYS 17 -11.239 -11.210 6.567 138 2HE LYS 17 1HE LYS 17 -11.363 -12.761 7.401 139 1HZ LYS 17 1HZ LYS 17 -13.531 -11.932 6.697 140 2HZ LYS 17 2HZ LYS 17 -13.313 -10.527 7.617 141 3HZ LYS 17 3HZ LYS 17 -13.439 -12.032 8.388 142 H GLY 18 H GLY 18 -5.088 -8.962 9.894 143 1HA GLY 18 2HA GLY 18 -5.837 -7.163 12.009 144 2HA GLY 18 1HA GLY 18 -4.199 -7.552 11.499 145 HA PRO 19 HA PRO 19 -5.724 -3.279 9.953 146 1HB PRO 19 2HB PRO 19 -3.833 -2.210 11.946 147 2HB PRO 19 1HB PRO 19 -5.492 -1.718 11.594 148 1HG PRO 19 2HG PRO 19 -4.867 -3.034 13.842 149 2HG PRO 19 1HG PRO 19 -6.403 -3.304 13.000 150 1HD PRO 19 2HD PRO 19 -3.917 -4.977 12.990 151 2HD PRO 19 1HD PRO 19 -5.617 -5.486 13.068 152 H LEU 20 H LEU 20 -4.676 -2.828 8.153 153 HA LEU 20 HA LEU 20 -1.921 -3.554 7.774 154 1HB LEU 20 2HB LEU 20 -3.934 -2.150 6.025 155 2HB LEU 20 1HB LEU 20 -2.277 -2.429 5.525 156 HG LEU 20 HG LEU 20 -4.143 -4.661 6.319 157 1HD1 LEU 20 1HD1 LEU 20 -4.480 -5.058 3.948 158 2HD1 LEU 20 2HD1 LEU 20 -3.508 -3.639 3.551 159 3HD1 LEU 20 3HD1 LEU 20 -5.052 -3.446 4.387 160 1HD2 LEU 20 1HD2 LEU 20 -1.546 -4.614 4.784 161 2HD2 LEU 20 2HD2 LEU 20 -2.522 -6.041 5.121 162 3HD2 LEU 20 3HD2 LEU 20 -1.755 -5.167 6.445 163 H ARG 21 H ARG 21 -0.154 -2.277 7.807 164 HA ARG 21 HA ARG 21 -0.501 0.479 8.678 165 1HB ARG 21 2HB ARG 21 1.191 -1.004 9.776 166 2HB ARG 21 1HB ARG 21 2.074 -1.063 8.254 167 1HG ARG 21 2HG ARG 21 2.501 1.294 8.345 168 2HG ARG 21 1HG ARG 21 1.477 1.464 9.771 169 1HD ARG 21 2HD ARG 21 3.021 -0.030 11.003 170 2HD ARG 21 1HD ARG 21 4.072 -0.060 9.584 171 HE ARG 21 HE ARG 21 3.711 2.595 10.136 172 1HH1 ARG 21 1HH1 ARG 21 4.947 -0.157 11.943 173 2HH1 ARG 21 2HH1 ARG 21 6.028 0.824 12.896 174 1HH2 ARG 21 1HH2 ARG 21 5.070 3.858 11.427 175 2HH2 ARG 21 2HH2 ARG 21 6.072 3.100 12.632 176 H TYR 22 H TYR 22 -0.527 2.102 7.299 177 HA TYR 22 HA TYR 22 0.021 1.578 4.505 178 1HB TYR 22 2HB TYR 22 -2.035 2.755 5.076 179 2HB TYR 22 1HB TYR 22 -1.116 4.015 5.895 180 HD1 TYR 22 1HD TYR 22 -0.338 5.886 4.711 181 HD2 TYR 22 2HD TYR 22 -1.700 2.477 2.557 182 HE1 TYR 22 1HE TYR 22 -0.202 7.160 2.615 183 HE2 TYR 22 2HE TYR 22 -1.564 3.744 0.459 184 HH TYR 22 HH TYR 22 -1.634 6.146 -0.244 185 H LEU 23 H LEU 23 1.823 2.096 3.503 186 HA LEU 23 HA LEU 23 3.636 4.060 4.716 187 1HB LEU 23 2HB LEU 23 4.051 1.907 2.659 188 2HB LEU 23 1HB LEU 23 5.218 3.194 2.877 189 HG LEU 23 HG LEU 23 5.435 2.472 5.280 190 1HD1 LEU 23 1HD1 LEU 23 3.890 0.072 4.321 191 2HD1 LEU 23 2HD1 LEU 23 3.316 1.268 5.481 192 3HD1 LEU 23 3HD1 LEU 23 4.690 0.237 5.882 193 1HD2 LEU 23 1HD2 LEU 23 6.859 0.556 4.756 194 2HD2 LEU 23 2HD2 LEU 23 7.074 1.859 3.589 195 3HD2 LEU 23 3HD2 LEU 23 6.118 0.443 3.159 196 H GLU 24 H GLU 24 3.579 6.043 3.999 197 HA GLU 24 HA GLU 24 1.897 6.832 1.857 198 1HB GLU 24 2HB GLU 24 3.998 8.656 2.963 199 2HB GLU 24 1HB GLU 24 2.354 9.027 2.473 200 1HG GLU 24 2HG GLU 24 2.140 9.200 4.727 201 2HG GLU 24 1HG GLU 24 1.749 7.492 4.523 202 H SER 25 H SER 25 5.309 6.168 2.087 203 HA SER 25 HA SER 25 6.251 7.724 -0.022 204 1HB SER 25 2HB SER 25 7.288 5.094 1.048 205 2HB SER 25 1HB SER 25 8.181 6.152 -0.047 206 HG SER 25 HG SER 25 8.222 7.737 1.512 207 H GLU 26 H GLU 26 5.058 4.361 -0.118 208 HA GLU 26 HA GLU 26 5.230 4.514 -3.060 209 1HB GLU 26 2HB GLU 26 5.952 2.252 -1.214 210 2HB GLU 26 1HB GLU 26 5.628 1.993 -2.921 211 1HG GLU 26 2HG GLU 26 7.719 3.893 -1.899 212 2HG GLU 26 1HG GLU 26 8.036 2.207 -2.300 213 H GLN 27 H GLN 27 2.981 4.643 -0.836 214 HA GLN 27 HA GLN 27 0.842 3.927 -0.525 215 1HB GLN 27 2HB GLN 27 1.182 3.427 -3.473 216 2HB GLN 27 1HB GLN 27 -0.301 2.973 -2.654 217 1HG GLN 27 2HG GLN 27 -0.503 5.127 -3.755 218 2HG GLN 27 1HG GLN 27 -0.678 5.281 -2.008 219 1HE2 GLN 27 1HE2 GLN 27 0.805 6.439 -0.860 220 2HE2 GLN 27 2HE2 GLN 27 2.058 7.383 -1.596 221 H LEU 28 H LEU 28 2.214 2.273 0.734 222 HA LEU 28 HA LEU 28 1.711 -0.431 -0.320 223 1HB LEU 28 2HB LEU 28 3.907 0.501 1.530 224 2HB LEU 28 1HB LEU 28 3.621 -1.167 1.080 225 HG LEU 28 HG LEU 28 4.437 1.049 -0.801 226 1HD1 LEU 28 1HD1 LEU 28 5.982 -1.288 0.315 227 2HD1 LEU 28 2HD1 LEU 28 6.229 0.415 0.704 228 3HD1 LEU 28 3HD1 LEU 28 6.556 -0.175 -0.926 229 1HD2 LEU 28 1HD2 LEU 28 4.074 -1.904 -1.284 230 2HD2 LEU 28 2HD2 LEU 28 4.718 -0.738 -2.441 231 3HD2 LEU 28 3HD2 LEU 28 3.043 -0.616 -1.905 232 H LEU 29 H LEU 29 0.683 -1.861 0.933 233 HA LEU 29 HA LEU 29 -0.092 -1.002 3.641 234 1HB LEU 29 2HB LEU 29 -1.403 -3.104 1.911 235 2HB LEU 29 1HB LEU 29 -2.008 -2.459 3.425 236 HG LEU 29 HG LEU 29 -1.757 -0.921 0.836 237 1HD1 LEU 29 1HD1 LEU 29 -4.185 -1.944 2.303 238 2HD1 LEU 29 2HD1 LEU 29 -3.544 -2.588 0.792 239 3HD1 LEU 29 3HD1 LEU 29 -4.197 -0.953 0.845 240 1HD2 LEU 29 1HD2 LEU 29 -2.936 0.858 1.998 241 2HD2 LEU 29 2HD2 LEU 29 -1.420 0.484 2.826 242 3HD2 LEU 29 3HD2 LEU 29 -2.953 -0.097 3.480 243 H VAL 30 H VAL 30 1.234 -1.916 5.074 244 HA VAL 30 HA VAL 30 2.203 -4.641 4.520 245 HB VAL 30 HB VAL 30 3.528 -2.493 6.189 246 1HG1 VAL 30 1HG1 VAL 30 5.430 -4.033 6.301 247 2HG1 VAL 30 2HG1 VAL 30 4.502 -5.246 5.422 248 3HG1 VAL 30 3HG1 VAL 30 3.990 -4.739 7.032 249 1HG2 VAL 30 1HG2 VAL 30 5.225 -2.457 4.412 250 2HG2 VAL 30 2HG2 VAL 30 3.639 -1.973 3.819 251 3HG2 VAL 30 3HG2 VAL 30 4.254 -3.589 3.472 252 H ASN 31 H ASN 31 1.484 -6.178 5.826 253 HA ASN 31 HA ASN 31 0.206 -5.479 8.332 254 1HB ASN 31 2HB ASN 31 -0.779 -7.274 6.983 255 2HB ASN 31 1HB ASN 31 0.724 -8.189 7.072 256 1HD2 ASN 31 1HD2 ASN 31 -0.432 -9.924 8.024 257 2HD2 ASN 31 2HD2 ASN 31 -0.915 -9.873 9.683 258 H GLU 32 H GLU 32 1.306 -5.223 10.117 259 HA GLU 32 HA GLU 32 4.126 -5.740 10.154 260 1HB GLU 32 2HB GLU 32 2.804 -3.736 11.116 261 2HB GLU 32 1HB GLU 32 2.472 -4.791 12.482 262 1HG GLU 32 2HG GLU 32 4.688 -4.838 13.144 263 2HG GLU 32 1HG GLU 32 5.278 -4.326 11.563 264 H ARG 33 H ARG 33 1.399 -7.521 10.958 265 HA ARG 33 HA ARG 33 2.586 -9.048 13.105 266 1HB ARG 33 2HB ARG 33 0.068 -9.557 11.502 267 2HB ARG 33 1HB ARG 33 0.544 -10.410 12.963 268 1HG ARG 33 2HG ARG 33 0.311 -8.395 14.269 269 2HG ARG 33 1HG ARG 33 -0.040 -7.459 12.812 270 1HD ARG 33 2HD ARG 33 -2.056 -8.785 12.441 271 2HD ARG 33 1HD ARG 33 -1.703 -9.744 13.874 272 HE ARG 33 HE ARG 33 -1.826 -7.069 14.655 273 1HH1 ARG 33 1HH1 ARG 33 -3.965 -9.491 13.280 274 2HH1 ARG 33 2HH1 ARG 33 -5.378 -8.887 14.102 275 1HH2 ARG 33 1HH2 ARG 33 -3.703 -6.216 15.666 276 2HH2 ARG 33 2HH2 ARG 33 -5.233 -7.017 15.450 277 H LEU 34 H LEU 34 2.041 -9.435 9.629 278 HA LEU 34 HA LEU 34 3.262 -12.108 9.771 279 1HB LEU 34 2HB LEU 34 1.464 -10.873 7.695 280 2HB LEU 34 1HB LEU 34 2.276 -12.412 7.477 281 HG LEU 34 HG LEU 34 0.237 -11.794 9.619 282 1HD1 LEU 34 1HD1 LEU 34 -1.205 -13.309 8.372 283 2HD1 LEU 34 2HD1 LEU 34 0.040 -13.497 7.138 284 3HD1 LEU 34 3HD1 LEU 34 -0.735 -11.931 7.379 285 1HD2 LEU 34 1HD2 LEU 34 1.626 -14.374 8.911 286 2HD2 LEU 34 2HD2 LEU 34 0.339 -14.184 10.102 287 3HD2 LEU 34 3HD2 LEU 34 1.904 -13.412 10.363 288 H ASN 35 H ASN 35 3.857 -8.936 8.729 289 HA ASN 35 HA ASN 35 5.614 -7.944 7.687 290 1HB ASN 35 2HB ASN 35 6.848 -10.705 7.801 291 2HB ASN 35 1HB ASN 35 7.699 -9.250 7.301 292 1HD2 ASN 35 1HD2 ASN 35 6.387 -7.561 9.271 293 2HD2 ASN 35 2HD2 ASN 35 7.078 -7.969 10.799 294 H LEU 36 H LEU 36 3.421 -8.864 6.209 295 HA LEU 36 HA LEU 36 4.674 -9.423 3.599 296 1HB LEU 36 2HB LEU 36 1.866 -10.079 4.516 297 2HB LEU 36 1HB LEU 36 2.494 -10.358 2.905 298 HG LEU 36 HG LEU 36 3.486 -11.705 5.422 299 1HD1 LEU 36 1HD1 LEU 36 1.819 -12.769 3.146 300 2HD1 LEU 36 2HD1 LEU 36 1.259 -12.461 4.790 301 3HD1 LEU 36 3HD1 LEU 36 2.458 -13.718 4.489 302 1HD2 LEU 36 1HD2 LEU 36 4.792 -13.104 3.908 303 2HD2 LEU 36 2HD2 LEU 36 5.245 -11.406 3.747 304 3HD2 LEU 36 3HD2 LEU 36 4.220 -12.164 2.530 305 H ALA 37 H ALA 37 3.897 -8.199 1.808 306 HA ALA 37 HA ALA 37 2.537 -5.727 2.657 307 1HB ALA 37 1HB ALA 37 4.940 -5.360 2.382 308 2HB ALA 37 2HB ALA 37 3.993 -4.453 1.203 309 3HB ALA 37 3HB ALA 37 4.829 -5.929 0.716 310 H TYR 38 H TYR 38 1.007 -4.926 1.405 311 HA TYR 38 HA TYR 38 0.555 -6.104 -1.264 312 1HB TYR 38 2HB TYR 38 -1.546 -4.824 0.506 313 2HB TYR 38 1HB TYR 38 -1.811 -5.729 -0.980 314 HD1 TYR 38 1HD TYR 38 -1.698 -8.182 -0.978 315 HD2 TYR 38 2HD TYR 38 -1.162 -5.950 2.606 316 HE1 TYR 38 1HE TYR 38 -2.047 -10.227 0.344 317 HE2 TYR 38 2HE TYR 38 -1.503 -7.989 3.935 318 HH TYR 38 HH TYR 38 -1.511 -11.100 2.564 319 H ARG 39 H ARG 39 0.260 -4.601 -2.963 320 HA ARG 39 HA ARG 39 0.909 -1.834 -2.220 321 1HB ARG 39 2HB ARG 39 0.739 -2.939 -5.018 322 2HB ARG 39 1HB ARG 39 1.518 -1.459 -4.493 323 1HG ARG 39 2HG ARG 39 3.083 -2.987 -3.162 324 2HG ARG 39 1HG ARG 39 2.435 -4.285 -4.167 325 1HD ARG 39 2HD ARG 39 4.061 -1.900 -4.966 326 2HD ARG 39 1HD ARG 39 4.322 -3.601 -5.348 327 HE ARG 39 HE ARG 39 2.072 -2.097 -6.515 328 1HH1 ARG 39 1HH1 ARG 39 4.908 -4.100 -6.873 329 2HH1 ARG 39 2HH1 ARG 39 4.742 -4.255 -8.595 330 1HH2 ARG 39 1HH2 ARG 39 1.860 -2.260 -8.798 331 2HH2 ARG 39 2HH2 ARG 39 3.007 -3.223 -9.686 332 H ILE 40 H ILE 40 -0.384 -0.094 -2.750 333 HA ILE 40 HA ILE 40 -3.019 -0.674 -3.883 334 HB ILE 40 HB ILE 40 -1.855 1.986 -3.002 335 1HG1 ILE 40 2HG1 ILE 40 -3.786 0.136 -1.578 336 2HG1 ILE 40 1HG1 ILE 40 -2.109 0.417 -1.122 337 1HG2 ILE 40 1HG2 ILE 40 -3.598 2.255 -4.660 338 2HG2 ILE 40 2HG2 ILE 40 -4.194 2.762 -3.080 339 3HG2 ILE 40 3HG2 ILE 40 -4.669 1.198 -3.744 340 1HD1 ILE 40 1HD1 ILE 40 -3.641 1.653 0.299 341 2HD1 ILE 40 2HD1 ILE 40 -4.301 2.480 -1.113 342 3HD1 ILE 40 3HD1 ILE 40 -2.624 2.745 -0.639 343 H ASP 41 H ASP 41 -3.138 -0.789 -6.035 344 HA ASP 41 HA ASP 41 -1.087 0.667 -7.576 345 1HB ASP 41 2HB ASP 41 -0.666 -1.815 -7.260 346 2HB ASP 41 1HB ASP 41 -2.105 -2.098 -8.237 347 H ASP 42 H ASP 42 -1.931 2.027 -8.966 348 HA ASP 42 HA ASP 42 -3.275 3.014 -10.500 349 1HB ASP 42 2HB ASP 42 -2.887 0.803 -11.655 350 2HB ASP 42 1HB ASP 42 -4.430 0.265 -10.999 351 H GLY 43 H GLY 43 -4.137 2.682 -7.723 352 1HA GLY 43 2HA GLY 43 -5.956 3.741 -6.682 353 2HA GLY 43 1HA GLY 43 -6.907 3.502 -8.142 354 H ILE 44 H ILE 44 -5.454 0.612 -7.532 355 HA ILE 44 HA ILE 44 -7.700 -0.308 -5.853 356 HB ILE 44 HB ILE 44 -6.432 -1.725 -8.206 357 1HG1 ILE 44 2HG1 ILE 44 -8.110 -0.045 -8.818 358 2HG1 ILE 44 1HG1 ILE 44 -8.703 -1.670 -9.144 359 1HG2 ILE 44 1HG2 ILE 44 -8.493 -2.757 -6.261 360 2HG2 ILE 44 2HG2 ILE 44 -6.835 -3.330 -6.435 361 3HG2 ILE 44 3HG2 ILE 44 -7.991 -3.568 -7.745 362 1HD1 ILE 44 1HD1 ILE 44 -10.442 -0.271 -8.199 363 2HD1 ILE 44 2HD1 ILE 44 -9.441 0.047 -6.782 364 3HD1 ILE 44 3HD1 ILE 44 -10.034 -1.584 -7.094 365 HA PRO 45 HA PRO 45 -4.269 -1.803 -3.311 366 1HB PRO 45 2HB PRO 45 -6.466 -2.781 -1.618 367 2HB PRO 45 1HB PRO 45 -5.162 -1.660 -1.219 368 1HG PRO 45 2HG PRO 45 -7.713 -0.845 -1.482 369 2HG PRO 45 1HG PRO 45 -6.342 0.179 -1.943 370 1HD PRO 45 2HD PRO 45 -8.159 -1.449 -3.680 371 2HD PRO 45 1HD PRO 45 -7.502 0.180 -3.951 372 H VAL 46 H VAL 46 -3.338 -3.650 -3.941 373 HA VAL 46 HA VAL 46 -4.892 -5.812 -5.007 374 HB VAL 46 HB VAL 46 -1.935 -5.815 -4.383 375 1HG1 VAL 46 1HG1 VAL 46 -3.577 -7.464 -6.305 376 2HG1 VAL 46 2HG1 VAL 46 -2.848 -8.029 -4.804 377 3HG1 VAL 46 3HG1 VAL 46 -1.821 -7.523 -6.144 378 1HG2 VAL 46 1HG2 VAL 46 -1.589 -5.138 -6.713 379 2HG2 VAL 46 2HG2 VAL 46 -2.475 -3.913 -5.804 380 3HG2 VAL 46 3HG2 VAL 46 -3.331 -4.975 -6.920 381 H LEU 47 H LEU 47 -6.173 -6.286 -3.143 382 HA LEU 47 HA LEU 47 -4.805 -7.549 -0.899 383 1HB LEU 47 2HB LEU 47 -7.738 -6.996 -1.369 384 2HB LEU 47 1HB LEU 47 -7.067 -7.692 0.095 385 HG LEU 47 HG LEU 47 -6.474 -4.921 -0.951 386 1HD1 LEU 47 1HD1 LEU 47 -7.802 -4.136 0.919 387 2HD1 LEU 47 2HD1 LEU 47 -8.148 -5.800 1.398 388 3HD1 LEU 47 3HD1 LEU 47 -8.771 -5.174 -0.129 389 1HD2 LEU 47 1HD2 LEU 47 -5.624 -6.333 1.573 390 2HD2 LEU 47 2HD2 LEU 47 -5.415 -4.608 1.267 391 3HD2 LEU 47 3HD2 LEU 47 -4.582 -5.790 0.258 392 H LEU 48 H LEU 48 -4.027 -9.242 -2.374 393 HA LEU 48 HA LEU 48 -6.064 -11.342 -2.713 394 1HB LEU 48 2HB LEU 48 -3.650 -10.776 -4.432 395 2HB LEU 48 1HB LEU 48 -4.647 -12.210 -4.572 396 HG LEU 48 HG LEU 48 -5.631 -9.387 -5.000 397 1HD1 LEU 48 1HD1 LEU 48 -4.915 -11.531 -6.990 398 2HD1 LEU 48 2HD1 LEU 48 -4.063 -10.006 -6.734 399 3HD1 LEU 48 3HD1 LEU 48 -5.707 -10.002 -7.375 400 1HD2 LEU 48 1HD2 LEU 48 -7.617 -10.479 -5.931 401 2HD2 LEU 48 2HD2 LEU 48 -7.382 -10.901 -4.235 402 3HD2 LEU 48 3HD2 LEU 48 -6.952 -12.054 -5.499 403 H ILE 49 H ILE 49 -5.736 -13.135 -1.666 404 HA ILE 49 HA ILE 49 -3.994 -13.426 0.410 405 HB ILE 49 HB ILE 49 -5.296 -15.610 -1.214 406 1HG1 ILE 49 2HG1 ILE 49 -6.130 -14.243 1.352 407 2HG1 ILE 49 1HG1 ILE 49 -6.831 -13.941 -0.234 408 1HG2 ILE 49 1HG2 ILE 49 -5.019 -17.026 0.769 409 2HG2 ILE 49 2HG2 ILE 49 -4.116 -15.736 1.562 410 3HG2 ILE 49 3HG2 ILE 49 -3.457 -16.517 0.126 411 1HD1 ILE 49 1HD1 ILE 49 -7.685 -16.202 -0.324 412 2HD1 ILE 49 2HD1 ILE 49 -8.225 -15.413 1.159 413 3HD1 ILE 49 3HD1 ILE 49 -6.905 -16.581 1.209 414 H ASP 50 H ASP 50 -3.615 -15.081 -2.743 415 HA ASP 50 HA ASP 50 -1.009 -16.043 -1.861 416 1HB ASP 50 2HB ASP 50 -2.517 -16.650 -4.415 417 2HB ASP 50 1HB ASP 50 -1.053 -17.454 -3.860 418 H GLU 51 H GLU 51 -1.897 -13.228 -3.042 419 HA GLU 51 HA GLU 51 0.251 -13.014 -5.043 420 1HB GLU 51 2HB GLU 51 -2.165 -12.180 -5.458 421 2HB GLU 51 1HB GLU 51 -1.744 -10.861 -4.376 422 1HG GLU 51 2HG GLU 51 -1.448 -10.109 -6.605 423 2HG GLU 51 1HG GLU 51 0.149 -10.308 -5.885 424 H ALA 52 H ALA 52 -0.270 -12.636 -1.816 425 HA ALA 52 HA ALA 52 0.944 -10.197 -1.165 426 1HB ALA 52 1HB ALA 52 1.256 -11.140 1.059 427 2HB ALA 52 2HB ALA 52 0.921 -12.755 0.437 428 3HB ALA 52 3HB ALA 52 -0.346 -11.529 0.437 429 H THR 53 H THR 53 3.045 -9.604 -0.768 430 HA THR 53 HA THR 53 5.106 -11.539 -1.615 431 HB THR 53 HB THR 53 5.440 -8.546 -1.713 432 HG1 THR 53 1HG THR 53 3.747 -10.049 -3.217 433 1HG2 THR 53 1HG2 THR 53 7.449 -9.916 -1.962 434 2HG2 THR 53 2HG2 THR 53 7.057 -9.095 -3.473 435 3HG2 THR 53 3HG2 THR 53 6.686 -10.810 -3.277 436 H GLU 54 H GLU 54 7.078 -11.570 -0.424 437 HA GLU 54 HA GLU 54 6.779 -10.965 2.358 438 1HB GLU 54 2HB GLU 54 9.178 -11.924 0.794 439 2HB GLU 54 1HB GLU 54 9.135 -11.769 2.543 440 1HG GLU 54 2HG GLU 54 7.133 -13.355 2.452 441 2HG GLU 54 1HG GLU 54 7.645 -13.689 0.797 442 H TRP 55 H TRP 55 7.440 -9.224 3.456 443 HA TRP 55 HA TRP 55 8.810 -7.145 1.888 444 1HB TRP 55 2HB TRP 55 6.484 -6.604 2.529 445 2HB TRP 55 1HB TRP 55 6.915 -6.808 4.225 446 HD1 TRP 55 HD TRP 55 7.427 -4.611 5.415 447 HE1 TRP 55 1HE TRP 55 8.210 -2.262 4.717 448 HE3 TRP 55 3HE TRP 55 8.119 -5.440 0.422 449 HZ2 TRP 55 2HZ TRP 55 9.037 -0.937 2.360 450 HZ3 TRP 55 3HZ TRP 55 8.910 -3.585 -0.988 451 HH2 TRP 55 HH TRP 55 9.359 -1.380 -0.036 452 H THR 56 H THR 56 10.654 -6.324 2.598 453 HA THR 56 HA THR 56 11.771 -7.226 5.128 454 HB THR 56 HB THR 56 13.006 -5.522 2.957 455 HG1 THR 56 1HG THR 56 12.403 -8.050 2.873 456 1HG2 THR 56 1HG2 THR 56 15.148 -6.090 4.002 457 2HG2 THR 56 2HG2 THR 56 14.299 -6.977 5.267 458 3HG2 THR 56 3HG2 THR 56 14.103 -5.232 5.135 459 HA PRO 57 HA PRO 57 10.377 -3.591 7.244 460 1HB PRO 57 2HB PRO 57 12.658 -4.010 9.068 461 2HB PRO 57 1HB PRO 57 10.926 -4.029 9.410 462 1HG PRO 57 2HG PRO 57 12.359 -6.285 9.404 463 2HG PRO 57 1HG PRO 57 10.696 -6.249 8.787 464 1HD PRO 57 2HD PRO 57 13.282 -6.214 7.272 465 2HD PRO 57 1HD PRO 57 11.799 -7.132 6.939 466 H ASN 58 H ASN 58 11.747 -2.742 5.086 467 HA ASN 58 HA ASN 58 12.749 -0.888 4.252 468 1HB ASN 58 2HB ASN 58 11.418 0.088 6.277 469 2HB ASN 58 1HB ASN 58 13.002 0.251 7.029 470 1HD2 ASN 58 1HD2 ASN 58 10.877 1.390 4.542 471 2HD2 ASN 58 2HD2 ASN 58 11.798 2.788 4.106 472 H ASN 59 H ASN 59 14.788 0.759 5.327 473 HA ASN 59 HA ASN 59 17.023 -1.071 5.091 474 1HB ASN 59 2HB ASN 59 16.916 1.951 5.263 475 2HB ASN 59 1HB ASN 59 18.389 1.018 5.028 476 1HD2 ASN 59 1HD2 ASN 59 18.778 0.041 3.056 477 2HD2 ASN 59 2HD2 ASN 59 17.863 0.431 1.634 478 H LEU 60 H LEU 60 17.318 -2.152 6.977 479 HA LEU 60 HA LEU 60 17.494 -0.672 9.475 480 1HB LEU 60 2HB LEU 60 16.439 -2.932 9.376 481 2HB LEU 60 1HB LEU 60 18.000 -3.604 8.946 482 HG LEU 60 HG LEU 60 18.897 -2.797 11.125 483 1HD1 LEU 60 1HD1 LEU 60 17.302 -0.992 11.507 484 2HD1 LEU 60 2HD1 LEU 60 17.336 -2.118 12.864 485 3HD1 LEU 60 3HD1 LEU 60 16.006 -2.172 11.703 486 1HD2 LEU 60 1HD2 LEU 60 16.519 -4.644 11.256 487 2HD2 LEU 60 2HD2 LEU 60 17.778 -4.507 12.483 488 3HD2 LEU 60 3HD2 LEU 60 18.179 -5.097 10.871 489 H GLU 61 H GLU 61 19.283 0.577 9.457 490 HA GLU 61 HA GLU 61 21.778 -0.578 8.440 491 1HB GLU 61 2HB GLU 61 21.152 1.549 7.475 492 2HB GLU 61 1HB GLU 61 20.999 2.272 9.071 493 1HG GLU 61 2HG GLU 61 23.385 2.017 9.438 494 2HG GLU 61 1HG GLU 61 23.555 1.234 7.866 Start of MODEL 12 1 1H MET 1 1HT MET 1 -9.267 13.338 13.701 2 2H MET 1 2HT MET 1 -7.920 13.521 12.679 3 3H MET 1 3HT MET 1 -9.196 12.497 12.232 4 HA MET 1 HA MET 1 -10.683 14.281 11.944 5 1HB MET 1 2HB MET 1 -9.996 16.606 12.310 6 2HB MET 1 1HB MET 1 -9.927 15.678 13.799 7 1HG MET 1 2HG MET 1 -7.502 15.463 13.538 8 2HG MET 1 1HG MET 1 -7.590 16.425 12.062 9 1HE MET 1 1HE MET 1 -8.669 18.050 16.241 10 2HE MET 1 2HE MET 1 -8.095 16.406 15.955 11 3HE MET 1 3HE MET 1 -9.677 16.905 15.353 12 H SER 2 H SER 2 -10.847 15.381 9.984 13 HA SER 2 HA SER 2 -10.331 16.026 7.876 14 1HB SER 2 2HB SER 2 -7.458 15.953 8.841 15 2HB SER 2 1HB SER 2 -8.020 16.691 7.338 16 HG SER 2 HG SER 2 -7.794 18.222 9.043 17 H LEU 3 H LEU 3 -8.254 15.279 6.159 18 HA LEU 3 HA LEU 3 -7.628 13.631 4.736 19 1HB LEU 3 2HB LEU 3 -7.922 11.965 7.227 20 2HB LEU 3 1HB LEU 3 -7.488 11.257 5.685 21 HG LEU 3 HG LEU 3 -5.476 11.564 6.899 22 1HD1 LEU 3 1HD1 LEU 3 -4.218 13.107 5.490 23 2HD1 LEU 3 2HD1 LEU 3 -5.729 13.782 4.881 24 3HD1 LEU 3 3HD1 LEU 3 -5.317 12.101 4.549 25 1HD2 LEU 3 1HD2 LEU 3 -4.754 13.745 7.778 26 2HD2 LEU 3 2HD2 LEU 3 -6.217 13.152 8.562 27 3HD2 LEU 3 3HD2 LEU 3 -6.325 14.424 7.345 28 H ASP 4 H ASP 4 -8.458 11.190 4.116 29 HA ASP 4 HA ASP 4 -11.389 11.392 3.933 30 1HB ASP 4 2HB ASP 4 -10.222 11.917 1.766 31 2HB ASP 4 1HB ASP 4 -9.614 10.262 1.762 32 HA PRO 5 HA PRO 5 -10.412 7.531 6.173 33 1HB PRO 5 2HB PRO 5 -12.985 7.298 7.145 34 2HB PRO 5 1HB PRO 5 -11.674 8.161 7.955 35 1HG PRO 5 2HG PRO 5 -13.880 9.233 6.250 36 2HG PRO 5 1HG PRO 5 -13.190 9.900 7.741 37 1HD PRO 5 2HD PRO 5 -12.553 10.892 5.333 38 2HD PRO 5 1HD PRO 5 -11.353 10.788 6.639 39 H GLN 6 H GLN 6 -12.829 8.276 3.777 40 HA GLN 6 HA GLN 6 -13.847 5.610 3.555 41 1HB GLN 6 2HB GLN 6 -14.209 8.136 2.001 42 2HB GLN 6 1HB GLN 6 -14.707 6.611 1.284 43 1HG GLN 6 2HG GLN 6 -16.592 7.613 2.343 44 2HG GLN 6 1HG GLN 6 -16.123 6.185 3.261 45 1HE2 GLN 6 1HE2 GLN 6 -17.058 6.847 5.141 46 2HE2 GLN 6 2HE2 GLN 6 -16.467 8.173 6.086 47 H LEU 7 H LEU 7 -11.187 7.348 2.135 48 HA LEU 7 HA LEU 7 -10.717 5.461 0.034 49 1HB LEU 7 2HB LEU 7 -8.954 7.525 1.345 50 2HB LEU 7 1HB LEU 7 -8.387 6.478 0.059 51 HG LEU 7 HG LEU 7 -10.644 8.471 -0.170 52 1HD1 LEU 7 1HD1 LEU 7 -8.448 9.529 0.008 53 2HD1 LEU 7 2HD1 LEU 7 -9.113 9.701 -1.616 54 3HD1 LEU 7 3HD1 LEU 7 -7.850 8.512 -1.302 55 1HD2 LEU 7 1HD2 LEU 7 -10.568 7.936 -2.561 56 2HD2 LEU 7 2HD2 LEU 7 -10.993 6.522 -1.596 57 3HD2 LEU 7 3HD2 LEU 7 -9.362 6.690 -2.242 58 H LEU 8 H LEU 8 -10.321 5.361 3.379 59 HA LEU 8 HA LEU 8 -8.272 3.262 3.182 60 1HB LEU 8 2HB LEU 8 -8.972 5.021 5.532 61 2HB LEU 8 1HB LEU 8 -7.737 3.776 5.527 62 HG LEU 8 HG LEU 8 -7.689 6.251 3.795 63 1HD1 LEU 8 1HD1 LEU 8 -6.179 5.601 6.322 64 2HD1 LEU 8 2HD1 LEU 8 -7.431 6.832 6.142 65 3HD1 LEU 8 3HD1 LEU 8 -5.896 7.002 5.290 66 1HD2 LEU 8 1HD2 LEU 8 -5.373 5.597 3.353 67 2HD2 LEU 8 2HD2 LEU 8 -6.505 4.357 2.810 68 3HD2 LEU 8 3HD2 LEU 8 -5.604 4.134 4.309 69 H GLU 9 H GLU 9 -10.642 4.126 5.686 70 HA GLU 9 HA GLU 9 -11.974 2.873 7.021 71 1HB GLU 9 2HB GLU 9 -12.196 1.137 4.554 72 2HB GLU 9 1HB GLU 9 -13.215 0.993 5.980 73 1HG GLU 9 2HG GLU 9 -13.974 3.327 5.612 74 2HG GLU 9 1HG GLU 9 -13.048 3.345 4.112 75 H VAL 10 H VAL 10 -12.290 0.063 7.278 76 HA VAL 10 HA VAL 10 -9.803 -0.532 8.599 77 HB VAL 10 HB VAL 10 -12.261 -2.260 8.269 78 1HG1 VAL 10 1HG1 VAL 10 -11.328 -3.506 10.200 79 2HG1 VAL 10 2HG1 VAL 10 -9.856 -2.541 10.067 80 3HG1 VAL 10 3HG1 VAL 10 -10.327 -3.620 8.753 81 1HG2 VAL 10 1HG2 VAL 10 -11.379 -0.504 10.554 82 2HG2 VAL 10 2HG2 VAL 10 -12.767 -1.594 10.574 83 3HG2 VAL 10 3HG2 VAL 10 -12.746 -0.210 9.481 84 H LEU 11 H LEU 11 -8.168 -0.951 7.252 85 HA LEU 11 HA LEU 11 -8.555 -2.963 5.155 86 1HB LEU 11 2HB LEU 11 -6.296 -1.009 5.618 87 2HB LEU 11 1HB LEU 11 -6.351 -2.185 4.319 88 HG LEU 11 HG LEU 11 -8.311 0.079 4.684 89 1HD1 LEU 11 1HD1 LEU 11 -6.114 0.911 4.078 90 2HD1 LEU 11 2HD1 LEU 11 -7.214 1.040 2.705 91 3HD1 LEU 11 3HD1 LEU 11 -6.017 -0.254 2.755 92 1HD2 LEU 11 1HD2 LEU 11 -9.299 -1.866 3.586 93 2HD2 LEU 11 2HD2 LEU 11 -7.962 -1.902 2.434 94 3HD2 LEU 11 3HD2 LEU 11 -9.079 -0.537 2.445 95 H ALA 12 H ALA 12 -8.024 -4.962 5.664 96 HA ALA 12 HA ALA 12 -5.778 -5.430 7.491 97 1HB ALA 12 1HB ALA 12 -7.850 -5.504 8.816 98 2HB ALA 12 2HB ALA 12 -7.043 -7.072 8.746 99 3HB ALA 12 3HB ALA 12 -8.468 -6.769 7.751 100 H CYS 13 H CYS 13 -4.873 -7.554 7.359 101 HA CYS 13 HA CYS 13 -4.665 -8.578 4.730 102 1HB CYS 13 2HB CYS 13 -2.852 -8.781 6.363 103 2HB CYS 13 1HB CYS 13 -3.856 -9.811 7.375 104 HG CYS 13 HG CYS 13 -2.546 -10.597 4.309 105 HA PRO 14 HA PRO 14 -8.182 -11.304 4.527 106 1HB PRO 14 2HB PRO 14 -6.522 -12.971 2.740 107 2HB PRO 14 1HB PRO 14 -8.066 -12.176 2.425 108 1HG PRO 14 2HG PRO 14 -5.796 -11.268 1.348 109 2HG PRO 14 1HG PRO 14 -7.074 -10.159 1.887 110 1HD PRO 14 2HD PRO 14 -4.502 -10.887 3.240 111 2HD PRO 14 1HD PRO 14 -5.289 -9.301 3.099 112 H LYS 15 H LYS 15 -5.004 -12.379 5.422 113 HA LYS 15 HA LYS 15 -5.799 -15.082 6.020 114 1HB LYS 15 2HB LYS 15 -3.269 -13.520 6.436 115 2HB LYS 15 1HB LYS 15 -3.475 -15.129 7.112 116 1HG LYS 15 2HG LYS 15 -3.776 -14.501 4.184 117 2HG LYS 15 1HG LYS 15 -2.269 -15.041 4.925 118 1HD LYS 15 2HD LYS 15 -4.869 -16.568 5.046 119 2HD LYS 15 1HD LYS 15 -3.591 -16.875 3.869 120 1HE LYS 15 2HE LYS 15 -2.053 -17.478 5.607 121 2HE LYS 15 1HE LYS 15 -3.192 -16.974 6.854 122 1HZ LYS 15 1HZ LYS 15 -4.660 -18.754 6.228 123 2HZ LYS 15 2HZ LYS 15 -3.122 -19.391 6.551 124 3HZ LYS 15 3HZ LYS 15 -3.647 -19.208 4.947 125 H ASP 16 H ASP 16 -4.327 -12.632 8.150 126 HA ASP 16 HA ASP 16 -5.631 -13.952 10.420 127 1HB ASP 16 2HB ASP 16 -3.972 -12.808 11.790 128 2HB ASP 16 1HB ASP 16 -3.171 -13.642 10.462 129 H LYS 17 H LYS 17 -6.045 -11.339 8.427 130 HA LYS 17 HA LYS 17 -7.236 -9.432 8.446 131 1HB LYS 17 2HB LYS 17 -8.568 -10.755 10.811 132 2HB LYS 17 1HB LYS 17 -9.127 -9.247 10.094 133 1HG LYS 17 2HG LYS 17 -9.246 -10.524 7.896 134 2HG LYS 17 1HG LYS 17 -9.069 -11.985 8.868 135 1HD LYS 17 2HD LYS 17 -11.075 -11.451 10.099 136 2HD LYS 17 1HD LYS 17 -11.229 -9.915 9.242 137 1HE LYS 17 2HE LYS 17 -11.397 -11.209 7.112 138 2HE LYS 17 1HE LYS 17 -11.434 -12.686 8.073 139 1HZ LYS 17 1HZ LYS 17 -13.459 -11.870 9.155 140 2HZ LYS 17 2HZ LYS 17 -13.663 -11.999 7.477 141 3HZ LYS 17 3HZ LYS 17 -13.428 -10.479 8.186 142 H GLY 18 H GLY 18 -4.712 -9.536 9.744 143 1HA GLY 18 2HA GLY 18 -4.838 -7.718 11.978 144 2HA GLY 18 1HA GLY 18 -3.390 -8.230 11.120 145 HA PRO 19 HA PRO 19 -5.352 -3.933 9.794 146 1HB PRO 19 2HB PRO 19 -3.489 -2.776 11.791 147 2HB PRO 19 1HB PRO 19 -5.145 -2.305 11.391 148 1HG PRO 19 2HG PRO 19 -4.596 -3.600 13.658 149 2HG PRO 19 1HG PRO 19 -6.076 -3.947 12.740 150 1HD PRO 19 2HD PRO 19 -3.524 -5.503 12.888 151 2HD PRO 19 1HD PRO 19 -5.198 -6.091 12.842 152 H LEU 20 H LEU 20 -4.389 -2.968 8.128 153 HA LEU 20 HA LEU 20 -1.663 -3.696 7.503 154 1HB LEU 20 2HB LEU 20 -3.680 -2.065 5.953 155 2HB LEU 20 1HB LEU 20 -2.121 -2.584 5.342 156 HG LEU 20 HG LEU 20 -4.382 -4.421 6.143 157 1HD1 LEU 20 1HD1 LEU 20 -4.626 -4.859 3.773 158 2HD1 LEU 20 2HD1 LEU 20 -3.324 -3.726 3.406 159 3HD1 LEU 20 3HD1 LEU 20 -4.834 -3.138 4.094 160 1HD2 LEU 20 1HD2 LEU 20 -3.021 -6.189 5.174 161 2HD2 LEU 20 2HD2 LEU 20 -2.162 -5.403 6.498 162 3HD2 LEU 20 3HD2 LEU 20 -1.738 -5.031 4.828 163 H ARG 21 H ARG 21 0.063 -2.459 7.632 164 HA ARG 21 HA ARG 21 -0.107 0.199 8.766 165 1HB ARG 21 2HB ARG 21 1.587 -1.456 9.512 166 2HB ARG 21 1HB ARG 21 2.268 -1.468 7.897 167 1HG ARG 21 2HG ARG 21 2.947 0.847 8.136 168 2HG ARG 21 1HG ARG 21 2.196 0.918 9.733 169 1HD ARG 21 2HD ARG 21 3.711 -0.829 10.527 170 2HD ARG 21 1HD ARG 21 4.453 -0.924 8.932 171 HE ARG 21 HE ARG 21 4.570 1.715 10.019 172 1HH1 ARG 21 1HH1 ARG 21 6.087 -1.459 10.176 173 2HH1 ARG 21 2HH1 ARG 21 7.641 -0.818 10.648 174 1HH2 ARG 21 1HH2 ARG 21 6.581 2.548 10.667 175 2HH2 ARG 21 2HH2 ARG 21 7.928 1.465 10.910 176 H TYR 22 H TYR 22 -0.231 1.972 7.532 177 HA TYR 22 HA TYR 22 -0.054 1.623 4.649 178 1HB TYR 22 2HB TYR 22 -2.056 2.665 5.484 179 2HB TYR 22 1HB TYR 22 -1.120 3.871 6.359 180 HD1 TYR 22 1HD TYR 22 -1.601 2.626 2.858 181 HD2 TYR 22 2HD TYR 22 -0.891 5.960 5.402 182 HE1 TYR 22 1HE TYR 22 -1.745 4.130 0.916 183 HE2 TYR 22 2HE TYR 22 -1.035 7.475 3.470 184 HH TYR 22 HH TYR 22 -0.762 7.384 1.033 185 H LEU 23 H LEU 23 1.801 1.956 3.685 186 HA LEU 23 HA LEU 23 3.657 3.982 4.671 187 1HB LEU 23 2HB LEU 23 3.838 1.891 2.510 188 2HB LEU 23 1HB LEU 23 5.035 3.160 2.665 189 HG LEU 23 HG LEU 23 5.470 2.339 5.012 190 1HD1 LEU 23 1HD1 LEU 23 4.783 0.066 5.565 191 2HD1 LEU 23 2HD1 LEU 23 3.822 -0.009 4.088 192 3HD1 LEU 23 3HD1 LEU 23 3.387 1.125 5.366 193 1HD2 LEU 23 1HD2 LEU 23 5.966 0.455 2.713 194 2HD2 LEU 23 2HD2 LEU 23 6.808 0.413 4.262 195 3HD2 LEU 23 3HD2 LEU 23 6.979 1.814 3.202 196 H GLU 24 H GLU 24 3.085 5.966 4.157 197 HA GLU 24 HA GLU 24 1.347 6.723 2.113 198 1HB GLU 24 2HB GLU 24 3.442 8.461 3.423 199 2HB GLU 24 1HB GLU 24 1.963 9.001 2.642 200 1HG GLU 24 2HG GLU 24 0.626 7.969 4.362 201 2HG GLU 24 1HG GLU 24 2.068 7.288 5.114 202 H SER 25 H SER 25 4.879 6.790 2.213 203 HA SER 25 HA SER 25 5.343 8.388 -0.001 204 1HB SER 25 2HB SER 25 7.107 6.127 0.938 205 2HB SER 25 1HB SER 25 7.603 7.609 0.118 206 HG SER 25 HG SER 25 7.190 8.776 1.918 207 H GLU 26 H GLU 26 5.176 4.826 0.125 208 HA GLU 26 HA GLU 26 5.440 4.807 -2.801 209 1HB GLU 26 2HB GLU 26 6.079 2.722 -0.724 210 2HB GLU 26 1HB GLU 26 6.007 2.353 -2.441 211 1HG GLU 26 2HG GLU 26 7.844 4.359 -1.155 212 2HG GLU 26 1HG GLU 26 8.287 2.734 -1.670 213 H GLN 27 H GLN 27 2.965 4.876 -0.771 214 HA GLN 27 HA GLN 27 0.831 4.073 -0.721 215 1HB GLN 27 2HB GLN 27 1.482 3.500 -3.618 216 2HB GLN 27 1HB GLN 27 -0.133 3.393 -2.931 217 1HG GLN 27 2HG GLN 27 1.519 5.905 -2.893 218 2HG GLN 27 1HG GLN 27 0.381 5.504 -4.176 219 1HE2 GLN 27 1HE2 GLN 27 0.382 7.731 -2.259 220 2HE2 GLN 27 2HE2 GLN 27 -1.139 7.643 -1.444 221 H LEU 28 H LEU 28 2.186 2.372 0.601 222 HA LEU 28 HA LEU 28 1.611 -0.283 -0.536 223 1HB LEU 28 2HB LEU 28 3.894 0.509 1.271 224 2HB LEU 28 1HB LEU 28 3.507 -1.141 0.828 225 HG LEU 28 HG LEU 28 4.378 1.028 -1.080 226 1HD1 LEU 28 1HD1 LEU 28 6.450 -0.246 -1.249 227 2HD1 LEU 28 2HD1 LEU 28 5.856 -1.391 -0.045 228 3HD1 LEU 28 3HD1 LEU 28 6.171 0.283 0.411 229 1HD2 LEU 28 1HD2 LEU 28 2.868 -0.572 -2.134 230 2HD2 LEU 28 2HD2 LEU 28 3.851 -1.909 -1.539 231 3HD2 LEU 28 3HD2 LEU 28 4.516 -0.785 -2.723 232 H LEU 29 H LEU 29 0.612 -1.754 0.740 233 HA LEU 29 HA LEU 29 -0.065 -0.904 3.481 234 1HB LEU 29 2HB LEU 29 -1.596 -2.663 1.561 235 2HB LEU 29 1HB LEU 29 -2.028 -2.438 3.245 236 HG LEU 29 HG LEU 29 -1.939 -0.229 1.187 237 1HD1 LEU 29 1HD1 LEU 29 -4.385 -0.292 1.335 238 2HD1 LEU 29 2HD1 LEU 29 -4.277 -1.714 2.376 239 3HD1 LEU 29 3HD1 LEU 29 -3.722 -1.801 0.703 240 1HD2 LEU 29 1HD2 LEU 29 -3.117 1.067 2.915 241 2HD2 LEU 29 2HD2 LEU 29 -1.508 0.577 3.439 242 3HD2 LEU 29 3HD2 LEU 29 -2.927 -0.280 4.039 243 H VAL 30 H VAL 30 1.180 -1.949 4.889 244 HA VAL 30 HA VAL 30 1.900 -4.751 4.302 245 HB VAL 30 HB VAL 30 3.476 -2.730 5.909 246 1HG1 VAL 30 1HG1 VAL 30 5.253 -4.421 5.902 247 2HG1 VAL 30 2HG1 VAL 30 4.166 -5.548 5.090 248 3HG1 VAL 30 3HG1 VAL 30 3.801 -4.994 6.724 249 1HG2 VAL 30 1HG2 VAL 30 4.040 -3.860 3.168 250 2HG2 VAL 30 2HG2 VAL 30 5.082 -2.764 4.076 251 3HG2 VAL 30 3HG2 VAL 30 3.501 -2.216 3.517 252 H ASN 31 H ASN 31 0.867 -6.145 5.613 253 HA ASN 31 HA ASN 31 -0.165 -5.316 8.177 254 1HB ASN 31 2HB ASN 31 -1.398 -7.025 6.970 255 2HB ASN 31 1HB ASN 31 0.030 -8.050 6.881 256 1HD2 ASN 31 1HD2 ASN 31 -1.179 -9.714 7.872 257 2HD2 ASN 31 2HD2 ASN 31 -1.491 -9.714 9.573 258 H GLU 32 H GLU 32 1.058 -5.139 9.929 259 HA GLU 32 HA GLU 32 3.817 -5.883 9.806 260 1HB GLU 32 2HB GLU 32 2.732 -3.817 10.926 261 2HB GLU 32 1HB GLU 32 2.415 -4.897 12.277 262 1HG GLU 32 2HG GLU 32 4.450 -3.616 12.626 263 2HG GLU 32 1HG GLU 32 4.796 -5.342 12.501 264 H ARG 33 H ARG 33 1.010 -7.452 10.857 265 HA ARG 33 HA ARG 33 2.185 -9.012 12.956 266 1HB ARG 33 2HB ARG 33 -0.432 -9.148 11.474 267 2HB ARG 33 1HB ARG 33 0.018 -10.339 12.689 268 1HG ARG 33 2HG ARG 33 -0.059 -8.801 14.417 269 2HG ARG 33 1HG ARG 33 0.115 -7.422 13.330 270 1HD ARG 33 2HD ARG 33 -2.174 -7.736 14.328 271 2HD ARG 33 1HD ARG 33 -2.118 -7.621 12.571 272 HE ARG 33 HE ARG 33 -2.386 -10.050 12.496 273 1HH1 ARG 33 1HH1 ARG 33 -3.083 -8.486 15.550 274 2HH1 ARG 33 2HH1 ARG 33 -4.300 -9.641 16.008 275 1HH2 ARG 33 1HH2 ARG 33 -3.933 -11.588 13.113 276 2HH2 ARG 33 2HH2 ARG 33 -4.747 -11.439 14.645 277 H LEU 34 H LEU 34 1.721 -9.415 9.514 278 HA LEU 34 HA LEU 34 3.051 -12.039 9.705 279 1HB LEU 34 2HB LEU 34 1.286 -10.951 7.505 280 2HB LEU 34 1HB LEU 34 2.106 -12.500 7.463 281 HG LEU 34 HG LEU 34 -0.053 -11.714 9.427 282 1HD1 LEU 34 1HD1 LEU 34 -0.944 -12.010 7.200 283 2HD1 LEU 34 2HD1 LEU 34 -1.399 -13.381 8.211 284 3HD1 LEU 34 3HD1 LEU 34 -0.096 -13.544 7.034 285 1HD2 LEU 34 1HD2 LEU 34 0.005 -14.077 10.085 286 2HD2 LEU 34 2HD2 LEU 34 1.545 -13.278 10.402 287 3HD2 LEU 34 3HD2 LEU 34 1.374 -14.342 9.004 288 H ASN 35 H ASN 35 3.417 -8.850 8.902 289 HA ASN 35 HA ASN 35 4.854 -7.572 7.743 290 1HB ASN 35 2HB ASN 35 6.391 -8.908 9.285 291 2HB ASN 35 1HB ASN 35 6.807 -9.859 7.858 292 1HD2 ASN 35 1HD2 ASN 35 6.886 -6.672 9.301 293 2HD2 ASN 35 2HD2 ASN 35 8.145 -6.040 8.297 294 H LEU 36 H LEU 36 3.077 -8.520 6.129 295 HA LEU 36 HA LEU 36 4.548 -9.282 3.692 296 1HB LEU 36 2HB LEU 36 1.643 -9.794 4.382 297 2HB LEU 36 1HB LEU 36 2.393 -10.175 2.845 298 HG LEU 36 HG LEU 36 3.097 -11.431 5.503 299 1HD1 LEU 36 1HD1 LEU 36 1.637 -12.549 3.115 300 2HD1 LEU 36 2HD1 LEU 36 0.916 -12.135 4.669 301 3HD1 LEU 36 3HD1 LEU 36 2.091 -13.445 4.565 302 1HD2 LEU 36 1HD2 LEU 36 4.493 -12.935 4.199 303 2HD2 LEU 36 2HD2 LEU 36 5.021 -11.264 3.997 304 3HD2 LEU 36 3HD2 LEU 36 4.090 -12.056 2.725 305 H ALA 37 H ALA 37 3.873 -8.192 1.740 306 HA ALA 37 HA ALA 37 2.721 -5.554 2.384 307 1HB ALA 37 1HB ALA 37 4.272 -4.547 0.836 308 2HB ALA 37 2HB ALA 37 4.921 -6.130 0.412 309 3HB ALA 37 3HB ALA 37 5.155 -5.489 2.038 310 H TYR 38 H TYR 38 1.069 -4.926 1.264 311 HA TYR 38 HA TYR 38 0.444 -6.254 -1.284 312 1HB TYR 38 2HB TYR 38 -1.395 -4.769 0.612 313 2HB TYR 38 1HB TYR 38 -1.884 -5.556 -0.886 314 HD1 TYR 38 1HD TYR 38 -1.025 -6.039 2.613 315 HD2 TYR 38 2HD TYR 38 -1.866 -8.017 -1.057 316 HE1 TYR 38 1HE TYR 38 -1.384 -8.140 3.836 317 HE2 TYR 38 2HE TYR 38 -2.240 -10.122 0.159 318 HH TYR 38 HH TYR 38 -1.585 -11.152 2.286 319 H ARG 39 H ARG 39 0.037 -4.997 -3.081 320 HA ARG 39 HA ARG 39 1.194 -2.328 -2.910 321 1HB ARG 39 2HB ARG 39 0.538 -4.081 -5.285 322 2HB ARG 39 1HB ARG 39 1.265 -2.483 -5.400 323 1HG ARG 39 2HG ARG 39 3.225 -3.254 -4.212 324 2HG ARG 39 1HG ARG 39 2.488 -4.840 -3.978 325 1HD ARG 39 2HD ARG 39 4.098 -4.843 -5.830 326 2HD ARG 39 1HD ARG 39 2.463 -5.212 -6.379 327 HE ARG 39 HE ARG 39 3.426 -2.448 -6.589 328 1HH1 ARG 39 1HH1 ARG 39 2.561 -5.468 -8.170 329 2HH1 ARG 39 2HH1 ARG 39 2.452 -4.747 -9.753 330 1HH2 ARG 39 1HH2 ARG 39 3.217 -1.496 -8.652 331 2HH2 ARG 39 2HH2 ARG 39 2.790 -2.478 -10.021 332 H ILE 40 H ILE 40 0.111 -0.477 -3.359 333 HA ILE 40 HA ILE 40 -2.722 -0.690 -4.079 334 HB ILE 40 HB ILE 40 -1.155 1.745 -3.188 335 1HG1 ILE 40 2HG1 ILE 40 -3.162 0.051 -1.674 336 2HG1 ILE 40 1HG1 ILE 40 -1.422 0.034 -1.412 337 1HG2 ILE 40 1HG2 ILE 40 -4.117 1.349 -3.624 338 2HG2 ILE 40 2HG2 ILE 40 -3.040 2.327 -4.619 339 3HG2 ILE 40 3HG2 ILE 40 -3.370 2.797 -2.952 340 1HD1 ILE 40 1HD1 ILE 40 -3.217 2.418 -1.015 341 2HD1 ILE 40 2HD1 ILE 40 -1.489 2.340 -0.678 342 3HD1 ILE 40 3HD1 ILE 40 -2.615 1.362 0.264 343 H ASP 41 H ASP 41 -3.131 -0.657 -6.186 344 HA ASP 41 HA ASP 41 -1.421 1.005 -7.923 345 1HB ASP 41 2HB ASP 41 -0.903 -1.445 -8.101 346 2HB ASP 41 1HB ASP 41 -2.561 -1.712 -8.624 347 H ASP 42 H ASP 42 -2.527 2.415 -9.142 348 HA ASP 42 HA ASP 42 -4.233 3.540 -10.136 349 1HB ASP 42 2HB ASP 42 -4.473 1.467 -11.449 350 2HB ASP 42 1HB ASP 42 -5.565 0.816 -10.234 351 H GLY 43 H GLY 43 -4.199 2.754 -7.150 352 1HA GLY 43 2HA GLY 43 -5.437 3.721 -5.407 353 2HA GLY 43 1HA GLY 43 -6.768 3.980 -6.524 354 H ILE 44 H ILE 44 -5.592 0.897 -6.897 355 HA ILE 44 HA ILE 44 -7.703 -0.199 -5.166 356 HB ILE 44 HB ILE 44 -6.346 -1.487 -7.547 357 1HG1 ILE 44 2HG1 ILE 44 -9.137 -0.344 -7.277 358 2HG1 ILE 44 1HG1 ILE 44 -7.817 0.390 -8.182 359 1HG2 ILE 44 1HG2 ILE 44 -8.671 -2.409 -5.862 360 2HG2 ILE 44 2HG2 ILE 44 -7.060 -3.125 -5.903 361 3HG2 ILE 44 3HG2 ILE 44 -8.096 -3.201 -7.329 362 1HD1 ILE 44 1HD1 ILE 44 -7.775 -1.558 -9.671 363 2HD1 ILE 44 2HD1 ILE 44 -9.337 -0.737 -9.675 364 3HD1 ILE 44 3HD1 ILE 44 -9.137 -2.246 -8.784 365 HA PRO 45 HA PRO 45 -4.228 -1.857 -2.816 366 1HB PRO 45 2HB PRO 45 -6.315 -2.826 -1.017 367 2HB PRO 45 1HB PRO 45 -5.025 -1.666 -0.698 368 1HG PRO 45 2HG PRO 45 -7.631 -0.947 -0.842 369 2HG PRO 45 1HG PRO 45 -6.307 0.134 -1.312 370 1HD PRO 45 2HD PRO 45 -8.116 -1.510 -3.044 371 2HD PRO 45 1HD PRO 45 -7.523 0.148 -3.287 372 H VAL 46 H VAL 46 -3.528 -3.590 -3.957 373 HA VAL 46 HA VAL 46 -5.257 -5.781 -4.631 374 HB VAL 46 HB VAL 46 -2.240 -5.643 -4.824 375 1HG1 VAL 46 1HG1 VAL 46 -4.233 -7.442 -6.196 376 2HG1 VAL 46 2HG1 VAL 46 -3.070 -7.915 -4.958 377 3HG1 VAL 46 3HG1 VAL 46 -2.504 -7.382 -6.544 378 1HG2 VAL 46 1HG2 VAL 46 -2.603 -5.021 -7.180 379 2HG2 VAL 46 2HG2 VAL 46 -3.239 -3.814 -6.062 380 3HG2 VAL 46 3HG2 VAL 46 -4.339 -4.931 -6.872 381 H LEU 47 H LEU 47 -6.013 -6.783 -2.836 382 HA LEU 47 HA LEU 47 -4.162 -7.542 -0.722 383 1HB LEU 47 2HB LEU 47 -7.167 -7.805 -0.898 384 2HB LEU 47 1HB LEU 47 -6.200 -8.203 0.511 385 HG LEU 47 HG LEU 47 -6.501 -5.450 -0.693 386 1HD1 LEU 47 1HD1 LEU 47 -8.528 -6.213 0.419 387 2HD1 LEU 47 2HD1 LEU 47 -7.742 -4.930 1.338 388 3HD1 LEU 47 3HD1 LEU 47 -7.597 -6.607 1.865 389 1HD2 LEU 47 1HD2 LEU 47 -5.285 -4.673 1.270 390 2HD2 LEU 47 2HD2 LEU 47 -4.302 -5.781 0.313 391 3HD2 LEU 47 3HD2 LEU 47 -5.062 -6.338 1.803 392 H LEU 48 H LEU 48 -3.890 -8.842 -3.207 393 HA LEU 48 HA LEU 48 -5.030 -11.492 -2.900 394 1HB LEU 48 2HB LEU 48 -3.079 -10.372 -4.914 395 2HB LEU 48 1HB LEU 48 -3.698 -12.012 -4.942 396 HG LEU 48 HG LEU 48 -5.352 -9.503 -5.265 397 1HD1 LEU 48 1HD1 LEU 48 -4.537 -11.604 -7.266 398 2HD1 LEU 48 2HD1 LEU 48 -3.943 -9.945 -7.202 399 3HD1 LEU 48 3HD1 LEU 48 -5.639 -10.261 -7.571 400 1HD2 LEU 48 1HD2 LEU 48 -7.167 -11.062 -5.837 401 2HD2 LEU 48 2HD2 LEU 48 -6.626 -11.249 -4.170 402 3HD2 LEU 48 3HD2 LEU 48 -6.125 -12.414 -5.395 403 H ILE 49 H ILE 49 -4.126 -12.999 -1.686 404 HA ILE 49 HA ILE 49 -1.704 -12.652 -0.306 405 HB ILE 49 HB ILE 49 -3.125 -15.268 -0.847 406 1HG1 ILE 49 2HG1 ILE 49 -3.520 -13.350 1.466 407 2HG1 ILE 49 1HG1 ILE 49 -4.612 -13.478 0.089 408 1HG2 ILE 49 1HG2 ILE 49 -0.880 -15.533 0.076 409 2HG2 ILE 49 2HG2 ILE 49 -2.108 -15.991 1.259 410 3HG2 ILE 49 3HG2 ILE 49 -1.290 -14.434 1.394 411 1HD1 ILE 49 1HD1 ILE 49 -3.981 -15.675 2.047 412 2HD1 ILE 49 2HD1 ILE 49 -5.111 -15.775 0.695 413 3HD1 ILE 49 3HD1 ILE 49 -5.436 -14.680 2.037 414 H ASP 50 H ASP 50 -2.504 -14.285 -3.293 415 HA ASP 50 HA ASP 50 -0.049 -15.607 -3.724 416 1HB ASP 50 2HB ASP 50 -2.066 -16.199 -4.943 417 2HB ASP 50 1HB ASP 50 -2.119 -14.605 -5.686 418 H GLU 51 H GLU 51 -1.069 -12.325 -4.223 419 HA GLU 51 HA GLU 51 1.342 -11.677 -5.736 420 1HB GLU 51 2HB GLU 51 -1.238 -10.287 -5.186 421 2HB GLU 51 1HB GLU 51 0.180 -9.297 -5.515 422 1HG GLU 51 2HG GLU 51 -0.741 -11.516 -7.320 423 2HG GLU 51 1HG GLU 51 -1.256 -9.840 -7.497 424 H ALA 52 H ALA 52 0.350 -11.861 -2.558 425 HA ALA 52 HA ALA 52 1.704 -9.605 -1.478 426 1HB ALA 52 1HB ALA 52 1.388 -10.681 0.688 427 2HB ALA 52 2HB ALA 52 0.918 -12.178 -0.113 428 3HB ALA 52 3HB ALA 52 -0.097 -10.747 -0.260 429 H THR 53 H THR 53 3.788 -9.343 -1.054 430 HA THR 53 HA THR 53 5.552 -11.693 -1.266 431 HB THR 53 HB THR 53 6.446 -8.838 -1.618 432 HG1 THR 53 1HG THR 53 4.705 -10.029 -3.175 433 1HG2 THR 53 1HG2 THR 53 7.531 -11.460 -2.649 434 2HG2 THR 53 2HG2 THR 53 8.173 -10.543 -1.290 435 3HG2 THR 53 3HG2 THR 53 8.245 -9.871 -2.917 436 H GLU 54 H GLU 54 7.206 -11.910 0.304 437 HA GLU 54 HA GLU 54 6.579 -10.908 2.891 438 1HB GLU 54 2HB GLU 54 9.145 -12.198 1.924 439 2HB GLU 54 1HB GLU 54 8.659 -12.000 3.604 440 1HG GLU 54 2HG GLU 54 6.727 -13.454 3.203 441 2HG GLU 54 1HG GLU 54 7.252 -13.673 1.534 442 H TRP 55 H TRP 55 7.221 -9.055 3.846 443 HA TRP 55 HA TRP 55 8.420 -7.166 2.010 444 1HB TRP 55 2HB TRP 55 6.324 -6.620 3.219 445 2HB TRP 55 1HB TRP 55 7.215 -6.677 4.735 446 HD1 TRP 55 HD TRP 55 7.528 -4.281 5.558 447 HE1 TRP 55 1HE TRP 55 8.208 -2.034 4.499 448 HE3 TRP 55 3HE TRP 55 7.894 -5.754 0.683 449 HZ2 TRP 55 2HZ TRP 55 8.829 -1.024 1.938 450 HZ3 TRP 55 3HZ TRP 55 8.540 -4.097 -1.008 451 HH2 TRP 55 HH TRP 55 8.998 -1.779 -0.394 452 H THR 56 H THR 56 10.241 -6.040 2.283 453 HA THR 56 HA THR 56 11.618 -6.060 4.818 454 HB THR 56 HB THR 56 12.649 -7.989 3.802 455 HG1 THR 56 1HG THR 56 14.443 -5.805 3.474 456 1HG2 THR 56 1HG2 THR 56 13.856 -7.877 1.667 457 2HG2 THR 56 2HG2 THR 56 13.270 -6.231 1.430 458 3HG2 THR 56 3HG2 THR 56 12.131 -7.577 1.457 459 HA PRO 57 HA PRO 57 11.810 -1.854 3.299 460 1HB PRO 57 2HB PRO 57 13.153 -1.393 5.878 461 2HB PRO 57 1HB PRO 57 11.667 -0.678 5.243 462 1HG PRO 57 2HG PRO 57 11.624 -2.469 7.243 463 2HG PRO 57 1HG PRO 57 10.346 -2.403 6.015 464 1HD PRO 57 2HD PRO 57 12.658 -4.294 6.244 465 2HD PRO 57 1HD PRO 57 10.970 -4.625 5.798 466 H ASN 58 H ASN 58 13.634 -0.151 3.383 467 HA ASN 58 HA ASN 58 15.948 -1.356 2.206 468 1HB ASN 58 2HB ASN 58 14.862 0.816 1.446 469 2HB ASN 58 1HB ASN 58 15.571 1.565 2.873 470 1HD2 ASN 58 1HD2 ASN 58 16.746 2.965 1.522 471 2HD2 ASN 58 2HD2 ASN 58 18.171 2.420 0.695 472 H ASN 59 H ASN 59 15.007 -0.630 5.273 473 HA ASN 59 HA ASN 59 17.757 -0.868 6.258 474 1HB ASN 59 2HB ASN 59 17.168 0.551 8.195 475 2HB ASN 59 1HB ASN 59 17.062 1.430 6.678 476 1HD2 ASN 59 1HD2 ASN 59 15.803 1.877 9.305 477 2HD2 ASN 59 2HD2 ASN 59 14.107 1.967 9.001 478 H LEU 60 H LEU 60 18.074 -2.456 7.696 479 HA LEU 60 HA LEU 60 15.691 -3.950 8.547 480 1HB LEU 60 2HB LEU 60 18.532 -4.805 8.072 481 2HB LEU 60 1HB LEU 60 17.427 -5.793 9.006 482 HG LEU 60 HG LEU 60 15.897 -5.776 6.977 483 1HD1 LEU 60 1HD1 LEU 60 18.390 -4.783 5.607 484 2HD1 LEU 60 2HD1 LEU 60 16.896 -3.870 5.821 485 3HD1 LEU 60 3HD1 LEU 60 16.908 -5.320 4.819 486 1HD2 LEU 60 1HD2 LEU 60 17.146 -7.550 5.861 487 2HD2 LEU 60 2HD2 LEU 60 17.231 -7.708 7.615 488 3HD2 LEU 60 3HD2 LEU 60 18.609 -7.067 6.720 489 H GLU 61 H GLU 61 15.080 -3.219 10.465 490 HA GLU 61 HA GLU 61 16.887 -2.462 12.549 491 1HB GLU 61 2HB GLU 61 13.977 -3.251 12.825 492 2HB GLU 61 1HB GLU 61 14.917 -2.272 13.940 493 1HG GLU 61 2HG GLU 61 15.050 -0.488 12.312 494 2HG GLU 61 1HG GLU 61 14.204 -1.486 11.128 Start of MODEL 13 1 1H MET 1 1HT MET 1 -3.858 12.485 -3.435 2 2H MET 1 2HT MET 1 -4.920 13.298 -2.387 3 3H MET 1 3HT MET 1 -3.727 12.263 -1.762 4 HA MET 1 HA MET 1 -1.987 13.701 -2.518 5 1HB MET 1 2HB MET 1 -3.127 14.556 -4.516 6 2HB MET 1 1HB MET 1 -4.254 15.447 -3.505 7 1HG MET 1 2HG MET 1 -2.436 16.816 -2.660 8 2HG MET 1 1HG MET 1 -1.287 15.907 -3.639 9 1HE MET 1 1HE MET 1 -4.280 18.446 -3.652 10 2HE MET 1 2HE MET 1 -4.926 17.080 -4.563 11 3HE MET 1 3HE MET 1 -4.602 18.610 -5.379 12 H SER 2 H SER 2 -5.025 15.273 -1.481 13 HA SER 2 HA SER 2 -3.683 15.940 1.055 14 1HB SER 2 2HB SER 2 -5.672 17.727 -0.363 15 2HB SER 2 1HB SER 2 -4.690 18.122 1.048 16 HG SER 2 HG SER 2 -4.000 18.857 -1.180 17 H LEU 3 H LEU 3 -4.634 14.330 2.233 18 HA LEU 3 HA LEU 3 -6.217 13.083 3.279 19 1HB LEU 3 2HB LEU 3 -7.531 15.795 3.271 20 2HB LEU 3 1HB LEU 3 -8.249 14.416 4.077 21 HG LEU 3 HG LEU 3 -7.126 15.677 5.737 22 1HD1 LEU 3 1HD1 LEU 3 -5.384 13.338 4.991 23 2HD1 LEU 3 2HD1 LEU 3 -6.863 13.275 5.948 24 3HD1 LEU 3 3HD1 LEU 3 -5.447 14.121 6.569 25 1HD2 LEU 3 1HD2 LEU 3 -4.683 15.614 3.978 26 2HD2 LEU 3 2HD2 LEU 3 -4.754 16.263 5.616 27 3HD2 LEU 3 3HD2 LEU 3 -5.688 17.019 4.327 28 H ASP 4 H ASP 4 -6.660 11.670 1.579 29 HA ASP 4 HA ASP 4 -9.020 12.338 -0.035 30 1HB ASP 4 2HB ASP 4 -6.946 12.339 -1.365 31 2HB ASP 4 1HB ASP 4 -6.666 10.662 -0.900 32 HA PRO 5 HA PRO 5 -10.332 8.565 2.222 33 1HB PRO 5 2HB PRO 5 -12.993 9.693 1.694 34 2HB PRO 5 1HB PRO 5 -12.255 9.234 3.231 35 1HG PRO 5 2HG PRO 5 -12.671 11.807 2.562 36 2HG PRO 5 1HG PRO 5 -11.272 11.295 3.527 37 1HD PRO 5 2HD PRO 5 -11.419 11.968 0.608 38 2HD PRO 5 1HD PRO 5 -10.177 12.397 1.803 39 H GLN 6 H GLN 6 -10.423 9.616 -0.894 40 HA GLN 6 HA GLN 6 -12.278 7.722 -2.008 41 1HB GLN 6 2HB GLN 6 -10.085 9.381 -3.273 42 2HB GLN 6 1HB GLN 6 -11.203 8.371 -4.175 43 1HG GLN 6 2HG GLN 6 -12.114 10.596 -2.380 44 2HG GLN 6 1HG GLN 6 -11.740 10.822 -4.091 45 1HE2 GLN 6 1HE2 GLN 6 -13.939 9.364 -1.804 46 2HE2 GLN 6 2HE2 GLN 6 -15.189 9.002 -2.949 47 H LEU 7 H LEU 7 -8.730 8.028 -1.927 48 HA LEU 7 HA LEU 7 -8.302 5.337 -2.817 49 1HB LEU 7 2HB LEU 7 -6.458 7.338 -1.515 50 2HB LEU 7 1HB LEU 7 -5.940 5.784 -2.138 51 HG LEU 7 HG LEU 7 -7.153 7.989 -3.811 52 1HD1 LEU 7 1HD1 LEU 7 -4.861 8.244 -4.694 53 2HD1 LEU 7 2HD1 LEU 7 -4.287 7.133 -3.452 54 3HD1 LEU 7 3HD1 LEU 7 -5.000 8.681 -2.990 55 1HD2 LEU 7 1HD2 LEU 7 -7.548 5.748 -4.697 56 2HD2 LEU 7 2HD2 LEU 7 -5.823 5.400 -4.591 57 3HD2 LEU 7 3HD2 LEU 7 -6.406 6.641 -5.698 58 H LEU 8 H LEU 8 -8.472 6.962 0.292 59 HA LEU 8 HA LEU 8 -7.443 4.612 1.672 60 1HB LEU 8 2HB LEU 8 -8.260 7.309 2.754 61 2HB LEU 8 1HB LEU 8 -7.477 6.036 3.670 62 HG LEU 8 HG LEU 8 -6.261 7.514 1.333 63 1HD1 LEU 8 1HD1 LEU 8 -4.800 8.521 3.003 64 2HD1 LEU 8 2HD1 LEU 8 -5.663 7.672 4.285 65 3HD1 LEU 8 3HD1 LEU 8 -6.489 8.905 3.335 66 1HD2 LEU 8 1HD2 LEU 8 -5.468 5.209 1.491 67 2HD2 LEU 8 2HD2 LEU 8 -5.076 5.456 3.193 68 3HD2 LEU 8 3HD2 LEU 8 -4.203 6.349 1.951 69 H GLU 9 H GLU 9 -8.817 3.049 2.102 70 HA GLU 9 HA GLU 9 -11.297 3.761 3.508 71 1HB GLU 9 2HB GLU 9 -11.760 2.947 1.162 72 2HB GLU 9 1HB GLU 9 -11.018 1.417 1.607 73 1HG GLU 9 2HG GLU 9 -12.720 1.051 3.293 74 2HG GLU 9 1HG GLU 9 -13.450 2.612 2.924 75 H VAL 10 H VAL 10 -11.991 2.008 5.017 76 HA VAL 10 HA VAL 10 -9.736 1.084 6.509 77 HB VAL 10 HB VAL 10 -12.638 0.353 6.928 78 1HG1 VAL 10 1HG1 VAL 10 -11.064 -1.083 8.121 79 2HG1 VAL 10 2HG1 VAL 10 -11.949 -0.048 9.243 80 3HG1 VAL 10 3HG1 VAL 10 -10.282 0.339 8.814 81 1HG2 VAL 10 1HG2 VAL 10 -12.697 2.195 8.542 82 2HG2 VAL 10 2HG2 VAL 10 -12.371 2.775 6.904 83 3HG2 VAL 10 3HG2 VAL 10 -11.054 2.647 8.078 84 H LEU 11 H LEU 11 -8.569 -0.430 5.466 85 HA LEU 11 HA LEU 11 -9.960 -2.791 4.405 86 1HB LEU 11 2HB LEU 11 -7.131 -1.868 3.873 87 2HB LEU 11 1HB LEU 11 -7.971 -3.173 3.063 88 HG LEU 11 HG LEU 11 -8.670 -0.240 2.876 89 1HD1 LEU 11 1HD1 LEU 11 -6.615 -0.788 1.712 90 2HD1 LEU 11 2HD1 LEU 11 -7.908 -0.420 0.573 91 3HD1 LEU 11 3HD1 LEU 11 -7.430 -2.096 0.855 92 1HD2 LEU 11 1HD2 LEU 11 -10.242 -0.942 1.127 93 2HD2 LEU 11 2HD2 LEU 11 -10.658 -1.621 2.701 94 3HD2 LEU 11 3HD2 LEU 11 -9.879 -2.632 1.484 95 H ALA 12 H ALA 12 -9.013 -4.892 4.788 96 HA ALA 12 HA ALA 12 -7.297 -5.015 7.179 97 1HB ALA 12 1HB ALA 12 -9.618 -5.363 7.879 98 2HB ALA 12 2HB ALA 12 -8.651 -6.826 8.086 99 3HB ALA 12 3HB ALA 12 -9.763 -6.687 6.725 100 H CYS 13 H CYS 13 -6.591 -7.404 7.513 101 HA CYS 13 HA CYS 13 -5.302 -8.185 5.034 102 1HB CYS 13 2HB CYS 13 -4.963 -9.390 7.782 103 2HB CYS 13 1HB CYS 13 -3.872 -9.535 6.409 104 HG CYS 13 HG CYS 13 -4.356 -6.850 8.447 105 HA PRO 14 HA PRO 14 -8.308 -11.442 4.411 106 1HB PRO 14 2HB PRO 14 -7.249 -12.456 2.148 107 2HB PRO 14 1HB PRO 14 -8.098 -10.905 2.177 108 1HG PRO 14 2HG PRO 14 -5.157 -11.456 2.192 109 2HG PRO 14 1HG PRO 14 -6.061 -10.234 1.279 110 1HD PRO 14 2HD PRO 14 -4.695 -9.697 3.583 111 2HD PRO 14 1HD PRO 14 -6.120 -8.782 3.052 112 H LYS 15 H LYS 15 -6.377 -11.998 6.389 113 HA LYS 15 HA LYS 15 -6.234 -14.855 6.105 114 1HB LYS 15 2HB LYS 15 -4.129 -14.291 5.032 115 2HB LYS 15 1HB LYS 15 -3.679 -13.256 6.380 116 1HG LYS 15 2HG LYS 15 -3.400 -15.109 7.829 117 2HG LYS 15 1HG LYS 15 -4.154 -16.209 6.675 118 1HD LYS 15 2HD LYS 15 -1.614 -14.706 6.087 119 2HD LYS 15 1HD LYS 15 -1.630 -16.303 6.834 120 1HE LYS 15 2HE LYS 15 -2.845 -15.613 4.159 121 2HE LYS 15 1HE LYS 15 -1.290 -16.406 4.398 122 1HZ LYS 15 1HZ LYS 15 -2.431 -18.246 5.477 123 2HZ LYS 15 2HZ LYS 15 -3.032 -18.005 3.908 124 3HZ LYS 15 3HZ LYS 15 -3.927 -17.480 5.245 125 H ASP 16 H ASP 16 -4.426 -12.544 8.137 126 HA ASP 16 HA ASP 16 -5.469 -13.874 10.517 127 1HB ASP 16 2HB ASP 16 -3.739 -12.787 11.723 128 2HB ASP 16 1HB ASP 16 -3.005 -13.228 10.184 129 H LYS 17 H LYS 17 -5.977 -11.113 8.611 130 HA LYS 17 HA LYS 17 -7.283 -9.277 8.734 131 1HB LYS 17 2HB LYS 17 -8.968 -11.077 9.264 132 2HB LYS 17 1HB LYS 17 -8.737 -10.697 10.965 133 1HG LYS 17 2HG LYS 17 -9.737 -8.606 10.764 134 2HG LYS 17 1HG LYS 17 -9.515 -8.563 9.013 135 1HD LYS 17 2HD LYS 17 -11.858 -8.955 9.669 136 2HD LYS 17 1HD LYS 17 -11.189 -10.279 8.717 137 1HE LYS 17 2HE LYS 17 -10.741 -11.492 10.843 138 2HE LYS 17 1HE LYS 17 -11.577 -10.204 11.706 139 1HZ LYS 17 1HZ LYS 17 -12.948 -12.206 11.178 140 2HZ LYS 17 2HZ LYS 17 -12.837 -11.787 9.539 141 3HZ LYS 17 3HZ LYS 17 -13.599 -10.737 10.635 142 H GLY 18 H GLY 18 -4.908 -9.031 9.950 143 1HA GLY 18 2HA GLY 18 -5.426 -7.609 12.463 144 2HA GLY 18 1HA GLY 18 -3.846 -8.047 11.831 145 HA PRO 19 HA PRO 19 -4.839 -3.564 10.894 146 1HB PRO 19 2HB PRO 19 -2.805 -2.422 12.259 147 2HB PRO 19 1HB PRO 19 -4.350 -2.828 13.014 148 1HG PRO 19 2HG PRO 19 -1.750 -4.309 13.090 149 2HG PRO 19 1HG PRO 19 -2.911 -4.014 14.399 150 1HD PRO 19 2HD PRO 19 -2.758 -6.372 13.023 151 2HD PRO 19 1HD PRO 19 -4.251 -5.771 13.769 152 H LEU 20 H LEU 20 -4.156 -2.834 9.016 153 HA LEU 20 HA LEU 20 -1.588 -3.639 7.930 154 1HB LEU 20 2HB LEU 20 -3.924 -2.108 6.803 155 2HB LEU 20 1HB LEU 20 -2.417 -2.300 5.930 156 HG LEU 20 HG LEU 20 -4.110 -4.619 6.865 157 1HD1 LEU 20 1HD1 LEU 20 -3.964 -3.325 4.147 158 2HD1 LEU 20 2HD1 LEU 20 -5.351 -3.300 5.236 159 3HD1 LEU 20 3HD1 LEU 20 -4.810 -4.823 4.531 160 1HD2 LEU 20 1HD2 LEU 20 -1.803 -4.432 4.930 161 2HD2 LEU 20 2HD2 LEU 20 -2.742 -5.886 5.273 162 3HD2 LEU 20 3HD2 LEU 20 -1.754 -5.155 6.540 163 H ARG 21 H ARG 21 0.179 -2.435 7.949 164 HA ARG 21 HA ARG 21 0.070 0.311 8.921 165 1HB ARG 21 2HB ARG 21 1.760 -1.321 9.765 166 2HB ARG 21 1HB ARG 21 2.437 -1.408 8.149 167 1HG ARG 21 2HG ARG 21 3.051 0.952 8.273 168 2HG ARG 21 1HG ARG 21 2.354 1.044 9.894 169 1HD ARG 21 2HD ARG 21 3.933 -0.710 10.632 170 2HD ARG 21 1HD ARG 21 4.671 -0.688 9.033 171 HE ARG 21 HE ARG 21 4.748 1.917 9.985 172 1HH1 ARG 21 1HH1 ARG 21 6.038 -1.208 10.919 173 2HH1 ARG 21 2HH1 ARG 21 7.450 -0.540 11.667 174 1HH2 ARG 21 1HH2 ARG 21 6.585 2.796 11.004 175 2HH2 ARG 21 2HH2 ARG 21 7.761 1.732 11.722 176 H TYR 22 H TYR 22 -0.124 1.948 7.505 177 HA TYR 22 HA TYR 22 0.221 1.331 4.672 178 1HB TYR 22 2HB TYR 22 -1.935 2.242 5.322 179 2HB TYR 22 1HB TYR 22 -1.158 3.638 6.055 180 HD1 TYR 22 1HD TYR 22 -1.559 5.553 4.854 181 HD2 TYR 22 2HD TYR 22 -0.866 1.933 2.732 182 HE1 TYR 22 1HE TYR 22 -1.733 6.772 2.730 183 HE2 TYR 22 2HE TYR 22 -1.041 3.145 0.598 184 HH TYR 22 HH TYR 22 -0.988 6.534 0.406 185 H LEU 23 H LEU 23 1.759 2.151 3.445 186 HA LEU 23 HA LEU 23 3.408 4.353 4.512 187 1HB LEU 23 2HB LEU 23 4.065 2.137 2.572 188 2HB LEU 23 1HB LEU 23 5.078 3.552 2.755 189 HG LEU 23 HG LEU 23 5.300 2.930 5.206 190 1HD1 LEU 23 1HD1 LEU 23 3.411 1.411 5.389 191 2HD1 LEU 23 2HD1 LEU 23 4.918 0.586 5.790 192 3HD1 LEU 23 3HD1 LEU 23 4.158 0.319 4.221 193 1HD2 LEU 23 1HD2 LEU 23 7.040 1.289 4.765 194 2HD2 LEU 23 2HD2 LEU 23 7.072 2.585 3.571 195 3HD2 LEU 23 3HD2 LEU 23 6.385 1.017 3.150 196 H GLU 24 H GLU 24 2.667 6.218 3.699 197 HA GLU 24 HA GLU 24 1.114 6.452 1.365 198 1HB GLU 24 2HB GLU 24 2.643 8.590 2.858 199 2HB GLU 24 1HB GLU 24 1.439 8.899 1.618 200 1HG GLU 24 2HG GLU 24 0.235 9.210 3.544 201 2HG GLU 24 1HG GLU 24 -0.135 7.533 3.156 202 H SER 25 H SER 25 4.545 6.512 1.831 203 HA SER 25 HA SER 25 5.216 8.087 -0.422 204 1HB SER 25 2HB SER 25 6.926 6.040 1.002 205 2HB SER 25 1HB SER 25 7.497 7.356 -0.024 206 HG SER 25 HG SER 25 6.437 7.432 2.575 207 H GLU 26 H GLU 26 4.661 4.629 -0.038 208 HA GLU 26 HA GLU 26 5.322 4.287 -2.887 209 1HB GLU 26 2HB GLU 26 5.913 2.373 -0.627 210 2HB GLU 26 1HB GLU 26 6.123 1.992 -2.331 211 1HG GLU 26 2HG GLU 26 7.765 3.800 -2.519 212 2HG GLU 26 1HG GLU 26 7.563 4.153 -0.805 213 H GLN 27 H GLN 27 2.800 4.441 -0.953 214 HA GLN 27 HA GLN 27 0.701 3.583 -0.859 215 1HB GLN 27 2HB GLN 27 1.522 3.388 -3.674 216 2HB GLN 27 1HB GLN 27 0.196 2.325 -3.240 217 1HG GLN 27 2HG GLN 27 -0.667 4.400 -4.079 218 2HG GLN 27 1HG GLN 27 -1.037 4.258 -2.363 219 1HE2 GLN 27 1HE2 GLN 27 -1.288 6.435 -2.079 220 2HE2 GLN 27 2HE2 GLN 27 0.034 7.554 -2.121 221 H LEU 28 H LEU 28 2.224 2.019 0.547 222 HA LEU 28 HA LEU 28 1.565 -0.723 -0.295 223 1HB LEU 28 2HB LEU 28 3.901 0.237 1.353 224 2HB LEU 28 1HB LEU 28 3.483 -1.449 1.123 225 HG LEU 28 HG LEU 28 4.274 0.452 -1.084 226 1HD1 LEU 28 1HD1 LEU 28 5.837 -1.755 0.254 227 2HD1 LEU 28 2HD1 LEU 28 6.136 -0.027 0.421 228 3HD1 LEU 28 3HD1 LEU 28 6.364 -0.813 -1.141 229 1HD2 LEU 28 1HD2 LEU 28 3.813 -2.531 -1.095 230 2HD2 LEU 28 2HD2 LEU 28 4.410 -1.573 -2.450 231 3HD2 LEU 28 3HD2 LEU 28 2.776 -1.318 -1.842 232 H LEU 29 H LEU 29 0.487 -1.993 1.073 233 HA LEU 29 HA LEU 29 -0.028 -0.991 3.800 234 1HB LEU 29 2HB LEU 29 -1.589 -2.950 2.093 235 2HB LEU 29 1HB LEU 29 -1.958 -2.583 3.766 236 HG LEU 29 HG LEU 29 -2.002 -0.522 1.560 237 1HD1 LEU 29 1HD1 LEU 29 -4.433 -0.735 1.646 238 2HD1 LEU 29 2HD1 LEU 29 -4.280 -2.068 2.788 239 3HD1 LEU 29 3HD1 LEU 29 -3.679 -2.247 1.140 240 1HD2 LEU 29 1HD2 LEU 29 -1.651 0.341 3.832 241 2HD2 LEU 29 2HD2 LEU 29 -3.105 -0.503 4.364 242 3HD2 LEU 29 3HD2 LEU 29 -3.225 0.803 3.186 243 H VAL 30 H VAL 30 1.337 -1.927 5.183 244 HA VAL 30 HA VAL 30 2.289 -4.638 4.533 245 HB VAL 30 HB VAL 30 3.712 -2.545 6.185 246 1HG1 VAL 30 1HG1 VAL 30 4.617 -5.223 5.135 247 2HG1 VAL 30 2HG1 VAL 30 4.354 -4.778 6.824 248 3HG1 VAL 30 3HG1 VAL 30 5.667 -4.035 5.909 249 1HG2 VAL 30 1HG2 VAL 30 5.222 -2.282 4.273 250 2HG2 VAL 30 2HG2 VAL 30 3.563 -1.841 3.855 251 3HG2 VAL 30 3HG2 VAL 30 4.221 -3.391 3.335 252 H ASN 31 H ASN 31 1.684 -6.211 5.849 253 HA ASN 31 HA ASN 31 0.925 -5.570 8.608 254 1HB ASN 31 2HB ASN 31 -0.547 -7.078 7.269 255 2HB ASN 31 1HB ASN 31 0.789 -8.208 7.104 256 1HD2 ASN 31 1HD2 ASN 31 -1.837 -8.617 8.279 257 2HD2 ASN 31 2HD2 ASN 31 -1.564 -9.128 9.909 258 H GLU 32 H GLU 32 2.508 -5.589 10.058 259 HA GLU 32 HA GLU 32 5.087 -6.674 9.346 260 1HB GLU 32 2HB GLU 32 4.734 -4.438 10.466 261 2HB GLU 32 1HB GLU 32 4.286 -5.313 11.921 262 1HG GLU 32 2HG GLU 32 6.500 -6.360 11.962 263 2HG GLU 32 1HG GLU 32 6.946 -5.437 10.526 264 H ARG 33 H ARG 33 2.352 -7.760 10.948 265 HA ARG 33 HA ARG 33 3.668 -9.481 12.856 266 1HB ARG 33 2HB ARG 33 0.802 -9.696 11.943 267 2HB ARG 33 1HB ARG 33 1.485 -10.151 13.500 268 1HG ARG 33 2HG ARG 33 1.811 -7.835 14.081 269 2HG ARG 33 1HG ARG 33 1.276 -7.329 12.478 270 1HD ARG 33 2HD ARG 33 -0.632 -7.010 13.734 271 2HD ARG 33 1HD ARG 33 -0.892 -8.625 13.079 272 HE ARG 33 HE ARG 33 0.330 -8.416 15.724 273 1HH1 ARG 33 1HH1 ARG 33 -2.453 -9.196 13.747 274 2HH1 ARG 33 2HH1 ARG 33 -3.354 -9.890 15.060 275 1HH2 ARG 33 1HH2 ARG 33 -0.870 -9.304 17.466 276 2HH2 ARG 33 2HH2 ARG 33 -2.455 -9.954 17.164 277 H LEU 34 H LEU 34 2.220 -9.716 9.662 278 HA LEU 34 HA LEU 34 2.930 -12.554 9.490 279 1HB LEU 34 2HB LEU 34 1.433 -10.778 7.563 280 2HB LEU 34 1HB LEU 34 1.742 -12.484 7.318 281 HG LEU 34 HG LEU 34 0.050 -11.291 9.512 282 1HD1 LEU 34 1HD1 LEU 34 -1.802 -12.376 8.327 283 2HD1 LEU 34 2HD1 LEU 34 -0.689 -12.874 7.051 284 3HD1 LEU 34 3HD1 LEU 34 -1.008 -11.161 7.328 285 1HD2 LEU 34 1HD2 LEU 34 0.555 -14.188 8.826 286 2HD2 LEU 34 2HD2 LEU 34 -0.518 -13.578 10.087 287 3HD2 LEU 34 3HD2 LEU 34 1.225 -13.339 10.219 288 H ASN 35 H ASN 35 4.149 -9.500 8.682 289 HA ASN 35 HA ASN 35 5.972 -8.759 7.549 290 1HB ASN 35 2HB ASN 35 6.971 -10.922 8.555 291 2HB ASN 35 1HB ASN 35 6.749 -11.617 6.954 292 1HD2 ASN 35 1HD2 ASN 35 8.058 -10.943 5.268 293 2HD2 ASN 35 2HD2 ASN 35 9.475 -9.980 5.508 294 H LEU 36 H LEU 36 3.418 -9.303 6.298 295 HA LEU 36 HA LEU 36 4.269 -9.726 3.511 296 1HB LEU 36 2HB LEU 36 1.604 -10.338 4.785 297 2HB LEU 36 1HB LEU 36 1.929 -10.446 3.066 298 HG LEU 36 HG LEU 36 3.266 -12.113 5.203 299 1HD1 LEU 36 1HD1 LEU 36 1.973 -13.958 4.316 300 2HD1 LEU 36 2HD1 LEU 36 1.207 -12.881 3.146 301 3HD1 LEU 36 3HD1 LEU 36 0.903 -12.669 4.871 302 1HD2 LEU 36 1HD2 LEU 36 4.173 -13.387 3.309 303 2HD2 LEU 36 2HD2 LEU 36 4.737 -11.716 3.302 304 3HD2 LEU 36 3HD2 LEU 36 3.462 -12.221 2.192 305 H ALA 37 H ALA 37 3.626 -8.269 1.986 306 HA ALA 37 HA ALA 37 2.170 -5.916 2.987 307 1HB ALA 37 1HB ALA 37 3.594 -4.515 1.595 308 2HB ALA 37 2HB ALA 37 4.488 -5.939 1.056 309 3HB ALA 37 3HB ALA 37 4.560 -5.441 2.747 310 H TYR 38 H TYR 38 0.631 -5.077 1.724 311 HA TYR 38 HA TYR 38 0.122 -6.361 -0.878 312 1HB TYR 38 2HB TYR 38 -1.817 -4.912 0.945 313 2HB TYR 38 1HB TYR 38 -2.223 -5.711 -0.573 314 HD1 TYR 38 1HD TYR 38 -1.478 -6.181 2.967 315 HD2 TYR 38 2HD TYR 38 -2.226 -8.167 -0.721 316 HE1 TYR 38 1HE TYR 38 -1.878 -8.279 4.185 317 HE2 TYR 38 2HE TYR 38 -2.632 -10.269 0.489 318 HH TYR 38 HH TYR 38 -2.045 -11.294 2.637 319 H ARG 39 H ARG 39 -0.173 -5.056 -2.665 320 HA ARG 39 HA ARG 39 0.877 -2.342 -2.307 321 1HB ARG 39 2HB ARG 39 1.437 -2.467 -4.712 322 2HB ARG 39 1HB ARG 39 2.189 -3.755 -3.780 323 1HG ARG 39 2HG ARG 39 0.506 -5.327 -4.540 324 2HG ARG 39 1HG ARG 39 -0.313 -4.041 -5.429 325 1HD ARG 39 2HD ARG 39 1.545 -3.787 -6.910 326 2HD ARG 39 1HD ARG 39 2.534 -4.875 -5.935 327 HE ARG 39 HE ARG 39 0.097 -5.994 -7.056 328 1HH1 ARG 39 1HH1 ARG 39 3.525 -5.490 -7.448 329 2HH1 ARG 39 2HH1 ARG 39 3.765 -6.932 -8.397 330 1HH2 ARG 39 1HH2 ARG 39 0.392 -7.883 -8.332 331 2HH2 ARG 39 2HH2 ARG 39 1.982 -8.293 -8.890 332 H ILE 40 H ILE 40 -0.185 -0.554 -3.002 333 HA ILE 40 HA ILE 40 -2.839 -0.903 -4.187 334 HB ILE 40 HB ILE 40 -1.451 1.640 -3.308 335 1HG1 ILE 40 2HG1 ILE 40 -3.615 0.027 -1.937 336 2HG1 ILE 40 1HG1 ILE 40 -1.932 0.114 -1.428 337 1HG2 ILE 40 1HG2 ILE 40 -4.311 1.136 -4.112 338 2HG2 ILE 40 2HG2 ILE 40 -3.107 2.023 -5.050 339 3HG2 ILE 40 3HG2 ILE 40 -3.669 2.662 -3.505 340 1HD1 ILE 40 1HD1 ILE 40 -2.191 2.493 -0.982 341 2HD1 ILE 40 2HD1 ILE 40 -3.352 1.533 -0.066 342 3HD1 ILE 40 3HD1 ILE 40 -3.871 2.410 -1.504 343 H ASP 41 H ASP 41 -3.013 -0.924 -6.329 344 HA ASP 41 HA ASP 41 -0.862 0.341 -7.898 345 1HB ASP 41 2HB ASP 41 -0.630 -2.129 -7.828 346 2HB ASP 41 1HB ASP 41 -2.242 -2.277 -8.522 347 H ASP 42 H ASP 42 -1.555 1.816 -9.240 348 HA ASP 42 HA ASP 42 -2.818 3.034 -10.677 349 1HB ASP 42 2HB ASP 42 -2.907 0.841 -11.879 350 2HB ASP 42 1HB ASP 42 -4.429 0.502 -11.065 351 H GLY 43 H GLY 43 -3.590 2.631 -7.804 352 1HA GLY 43 2HA GLY 43 -5.149 3.915 -6.587 353 2HA GLY 43 1HA GLY 43 -6.201 3.930 -7.996 354 H ILE 44 H ILE 44 -5.215 0.840 -7.766 355 HA ILE 44 HA ILE 44 -7.549 0.084 -6.135 356 HB ILE 44 HB ILE 44 -6.178 -1.503 -8.311 357 1HG1 ILE 44 2HG1 ILE 44 -8.877 -0.135 -8.336 358 2HG1 ILE 44 1HG1 ILE 44 -7.433 0.477 -9.136 359 1HG2 ILE 44 1HG2 ILE 44 -8.090 -3.032 -8.101 360 2HG2 ILE 44 2HG2 ILE 44 -8.690 -2.080 -6.740 361 3HG2 ILE 44 3HG2 ILE 44 -7.152 -2.936 -6.610 362 1HD1 ILE 44 1HD1 ILE 44 -7.383 -1.530 -10.537 363 2HD1 ILE 44 2HD1 ILE 44 -8.881 -0.618 -10.722 364 3HD1 ILE 44 3HD1 ILE 44 -8.860 -2.094 -9.757 365 HA PRO 45 HA PRO 45 -4.401 -1.610 -3.382 366 1HB PRO 45 2HB PRO 45 -6.741 -2.435 -1.809 367 2HB PRO 45 1HB PRO 45 -5.406 -1.374 -1.356 368 1HG PRO 45 2HG PRO 45 -7.893 -0.431 -1.788 369 2HG PRO 45 1HG PRO 45 -6.442 0.511 -2.191 370 1HD PRO 45 2HD PRO 45 -8.234 -1.083 -3.993 371 2HD PRO 45 1HD PRO 45 -7.496 0.513 -4.261 372 H VAL 46 H VAL 46 -3.586 -3.441 -4.224 373 HA VAL 46 HA VAL 46 -5.283 -5.646 -4.996 374 HB VAL 46 HB VAL 46 -2.262 -5.529 -4.912 375 1HG1 VAL 46 1HG1 VAL 46 -3.164 -7.799 -5.009 376 2HG1 VAL 46 2HG1 VAL 46 -2.342 -7.364 -6.508 377 3HG1 VAL 46 3HG1 VAL 46 -4.105 -7.363 -6.435 378 1HG2 VAL 46 1HG2 VAL 46 -4.142 -4.914 -7.188 379 2HG2 VAL 46 2HG2 VAL 46 -2.387 -5.026 -7.313 380 3HG2 VAL 46 3HG2 VAL 46 -3.122 -3.760 -6.332 381 H LEU 47 H LEU 47 -6.219 -6.384 -3.103 382 HA LEU 47 HA LEU 47 -4.422 -7.296 -0.971 383 1HB LEU 47 2HB LEU 47 -7.430 -7.012 -0.928 384 2HB LEU 47 1HB LEU 47 -6.404 -7.393 0.441 385 HG LEU 47 HG LEU 47 -6.393 -4.778 -1.072 386 1HD1 LEU 47 1HD1 LEU 47 -8.426 -5.052 0.212 387 2HD1 LEU 47 2HD1 LEU 47 -7.376 -3.864 0.987 388 3HD1 LEU 47 3HD1 LEU 47 -7.495 -5.497 1.642 389 1HD2 LEU 47 1HD2 LEU 47 -4.950 -3.991 0.738 390 2HD2 LEU 47 2HD2 LEU 47 -4.206 -5.325 -0.144 391 3HD2 LEU 47 3HD2 LEU 47 -4.934 -5.609 1.435 392 H LEU 48 H LEU 48 -3.808 -9.088 -2.421 393 HA LEU 48 HA LEU 48 -5.776 -11.266 -2.250 394 1HB LEU 48 2HB LEU 48 -3.779 -10.657 -4.416 395 2HB LEU 48 1HB LEU 48 -4.440 -12.264 -4.207 396 HG LEU 48 HG LEU 48 -6.745 -11.165 -4.444 397 1HD1 LEU 48 1HD1 LEU 48 -6.791 -9.093 -5.740 398 2HD1 LEU 48 2HD1 LEU 48 -5.040 -8.955 -5.571 399 3HD1 LEU 48 3HD1 LEU 48 -6.074 -8.857 -4.147 400 1HD2 LEU 48 1HD2 LEU 48 -6.610 -11.225 -6.892 401 2HD2 LEU 48 2HD2 LEU 48 -5.778 -12.592 -6.147 402 3HD2 LEU 48 3HD2 LEU 48 -4.848 -11.233 -6.784 403 H ILE 49 H ILE 49 -5.000 -13.322 -1.711 404 HA ILE 49 HA ILE 49 -3.133 -13.194 0.404 405 HB ILE 49 HB ILE 49 -4.246 -15.692 -0.878 406 1HG1 ILE 49 2HG1 ILE 49 -5.399 -14.053 1.392 407 2HG1 ILE 49 1HG1 ILE 49 -6.023 -14.061 -0.254 408 1HG2 ILE 49 1HG2 ILE 49 -2.402 -16.107 0.640 409 2HG2 ILE 49 2HG2 ILE 49 -3.916 -16.647 1.364 410 3HG2 ILE 49 3HG2 ILE 49 -3.181 -15.132 1.885 411 1HD1 ILE 49 1HD1 ILE 49 -5.921 -16.422 1.610 412 2HD1 ILE 49 2HD1 ILE 49 -6.544 -16.434 -0.042 413 3HD1 ILE 49 3HD1 ILE 49 -7.351 -15.474 1.198 414 H ASP 50 H ASP 50 -2.968 -14.687 -2.827 415 HA ASP 50 HA ASP 50 -0.353 -15.799 -2.349 416 1HB ASP 50 2HB ASP 50 -1.782 -15.444 -4.998 417 2HB ASP 50 1HB ASP 50 -0.403 -16.488 -4.684 418 H GLU 51 H GLU 51 -1.688 -12.931 -3.742 419 HA GLU 51 HA GLU 51 0.686 -12.136 -5.136 420 1HB GLU 51 2HB GLU 51 -1.961 -10.818 -4.575 421 2HB GLU 51 1HB GLU 51 -0.657 -9.957 -5.378 422 1HG GLU 51 2HG GLU 51 -2.357 -10.923 -6.909 423 2HG GLU 51 1HG GLU 51 -0.709 -11.446 -7.234 424 H ALA 52 H ALA 52 -0.097 -12.151 -1.937 425 HA ALA 52 HA ALA 52 0.850 -9.674 -1.005 426 1HB ALA 52 1HB ALA 52 -0.387 -11.224 0.421 427 2HB ALA 52 2HB ALA 52 1.167 -10.802 1.141 428 3HB ALA 52 3HB ALA 52 0.955 -12.365 0.353 429 H THR 53 H THR 53 2.836 -8.857 -0.889 430 HA THR 53 HA THR 53 5.071 -10.602 -1.678 431 HB THR 53 HB THR 53 5.122 -7.595 -1.625 432 HG1 THR 53 1HG THR 53 3.430 -8.894 -3.053 433 1HG2 THR 53 1HG2 THR 53 6.657 -9.645 -3.225 434 2HG2 THR 53 2HG2 THR 53 7.277 -8.697 -1.874 435 3HG2 THR 53 3HG2 THR 53 6.829 -7.896 -3.378 436 H GLU 54 H GLU 54 6.968 -10.608 -0.434 437 HA GLU 54 HA GLU 54 6.570 -9.924 2.345 438 1HB GLU 54 2HB GLU 54 8.805 -10.937 2.689 439 2HB GLU 54 1HB GLU 54 7.678 -12.012 1.875 440 1HG GLU 54 2HG GLU 54 8.736 -11.521 -0.262 441 2HG GLU 54 1HG GLU 54 9.847 -10.410 0.542 442 H TRP 55 H TRP 55 7.607 -8.349 3.499 443 HA TRP 55 HA TRP 55 9.150 -6.408 1.922 444 1HB TRP 55 2HB TRP 55 6.827 -5.635 2.165 445 2HB TRP 55 1HB TRP 55 6.950 -5.793 3.912 446 HD1 TRP 55 HD TRP 55 7.760 -3.708 5.204 447 HE1 TRP 55 1HE TRP 55 8.726 -1.411 4.544 448 HE3 TRP 55 3HE TRP 55 8.419 -4.511 0.194 449 HZ2 TRP 55 2HZ TRP 55 9.632 -0.114 2.210 450 HZ3 TRP 55 3HZ TRP 55 9.339 -2.687 -1.182 451 HH2 TRP 55 HH TRP 55 9.932 -0.536 -0.190 452 H THR 56 H THR 56 10.732 -5.255 3.040 453 HA THR 56 HA THR 56 11.469 -6.339 5.658 454 HB THR 56 HB THR 56 13.106 -4.481 3.945 455 HG1 THR 56 1HG THR 56 13.215 -7.335 3.973 456 1HG2 THR 56 1HG2 THR 56 13.843 -6.438 6.125 457 2HG2 THR 56 2HG2 THR 56 13.842 -4.678 6.258 458 3HG2 THR 56 3HG2 THR 56 14.990 -5.478 5.186 459 HA PRO 57 HA PRO 57 9.455 -2.500 6.989 460 1HB PRO 57 2HB PRO 57 9.639 -3.683 9.662 461 2HB PRO 57 1HB PRO 57 8.206 -3.236 8.734 462 1HG PRO 57 2HG PRO 57 8.873 -5.807 9.201 463 2HG PRO 57 1HG PRO 57 8.063 -5.293 7.709 464 1HD PRO 57 2HD PRO 57 10.959 -5.900 8.182 465 2HD PRO 57 1HD PRO 57 9.926 -6.345 6.805 466 H ASN 58 H ASN 58 10.725 -0.768 7.122 467 HA ASN 58 HA ASN 58 13.209 -0.834 8.614 468 1HB ASN 58 2HB ASN 58 12.971 0.404 6.443 469 2HB ASN 58 1HB ASN 58 11.879 1.523 7.253 470 1HD2 ASN 58 1HD2 ASN 58 13.073 3.343 7.183 471 2HD2 ASN 58 2HD2 ASN 58 14.618 3.527 7.940 472 H ASN 59 H ASN 59 13.071 -0.679 10.786 473 HA ASN 59 HA ASN 59 11.212 1.329 11.875 474 1HB ASN 59 2HB ASN 59 11.936 -1.373 13.018 475 2HB ASN 59 1HB ASN 59 11.144 -0.115 13.960 476 1HD2 ASN 59 1HD2 ASN 59 10.772 -2.585 11.625 477 2HD2 ASN 59 2HD2 ASN 59 9.052 -2.455 11.438 478 H LEU 60 H LEU 60 12.777 2.924 11.917 479 HA LEU 60 HA LEU 60 14.184 4.304 12.999 480 1HB LEU 60 2HB LEU 60 13.041 3.533 15.013 481 2HB LEU 60 1HB LEU 60 14.159 2.187 15.139 482 HG LEU 60 HG LEU 60 16.008 3.881 15.338 483 1HD1 LEU 60 1HD1 LEU 60 14.899 5.812 14.427 484 2HD1 LEU 60 2HD1 LEU 60 15.357 6.137 16.100 485 3HD1 LEU 60 3HD1 LEU 60 13.681 5.760 15.702 486 1HD2 LEU 60 1HD2 LEU 60 13.884 3.834 17.479 487 2HD2 LEU 60 2HD2 LEU 60 15.562 4.320 17.715 488 3HD2 LEU 60 3HD2 LEU 60 15.180 2.659 17.265 489 H GLU 61 H GLU 61 16.075 4.558 12.016 490 HA GLU 61 HA GLU 61 18.031 2.450 11.859 491 1HB GLU 61 2HB GLU 61 18.135 5.381 11.136 492 2HB GLU 61 1HB GLU 61 19.492 4.287 10.922 493 1HG GLU 61 2HG GLU 61 18.101 2.911 9.421 494 2HG GLU 61 1HG GLU 61 16.801 4.091 9.590 Start of MODEL 14 1 1H MET 1 1HT MET 1 -3.280 20.033 9.320 2 2H MET 1 2HT MET 1 -1.704 20.285 9.879 3 3H MET 1 3HT MET 1 -3.017 20.486 10.932 4 HA MET 1 HA MET 1 -2.164 17.943 9.680 5 1HB MET 1 2HB MET 1 -0.720 18.940 11.543 6 2HB MET 1 1HB MET 1 -2.099 18.698 12.604 7 1HG MET 1 2HG MET 1 -0.789 16.474 11.058 8 2HG MET 1 1HG MET 1 -0.338 16.924 12.698 9 1HE MET 1 1HE MET 1 -0.762 14.437 13.535 10 2HE MET 1 2HE MET 1 -1.159 13.989 11.877 11 3HE MET 1 3HE MET 1 -2.242 13.538 13.198 12 H SER 2 H SER 2 -4.048 17.037 9.096 13 HA SER 2 HA SER 2 -6.135 16.832 11.171 14 1HB SER 2 2HB SER 2 -6.641 17.110 8.199 15 2HB SER 2 1HB SER 2 -7.852 17.049 9.478 16 HG SER 2 HG SER 2 -5.938 19.011 9.801 17 H LEU 3 H LEU 3 -6.895 14.810 11.526 18 HA LEU 3 HA LEU 3 -5.883 12.657 9.828 19 1HB LEU 3 2HB LEU 3 -5.631 12.414 12.262 20 2HB LEU 3 1HB LEU 3 -7.367 12.548 12.457 21 HG LEU 3 HG LEU 3 -7.653 10.455 11.168 22 1HD1 LEU 3 1HD1 LEU 3 -5.617 10.554 9.835 23 2HD1 LEU 3 2HD1 LEU 3 -5.710 9.039 10.734 24 3HD1 LEU 3 3HD1 LEU 3 -4.645 10.328 11.289 25 1HD2 LEU 3 1HD2 LEU 3 -6.845 8.954 12.919 26 2HD2 LEU 3 2HD2 LEU 3 -7.584 10.403 13.601 27 3HD2 LEU 3 3HD2 LEU 3 -5.827 10.244 13.557 28 H ASP 4 H ASP 4 -7.087 12.232 8.123 29 HA ASP 4 HA ASP 4 -10.012 12.344 8.415 30 1HB ASP 4 2HB ASP 4 -9.014 14.016 6.823 31 2HB ASP 4 1HB ASP 4 -8.477 12.661 5.833 32 HA PRO 5 HA PRO 5 -9.074 7.897 7.781 33 1HB PRO 5 2HB PRO 5 -11.626 7.574 9.200 34 2HB PRO 5 1HB PRO 5 -10.034 6.923 9.594 35 1HG PRO 5 2HG PRO 5 -11.166 8.871 11.058 36 2HG PRO 5 1HG PRO 5 -9.414 8.795 10.788 37 1HD PRO 5 2HD PRO 5 -11.464 10.515 9.437 38 2HD PRO 5 1HD PRO 5 -9.842 10.943 10.024 39 H GLN 6 H GLN 6 -11.465 10.011 6.692 40 HA GLN 6 HA GLN 6 -13.172 8.144 5.372 41 1HB GLN 6 2HB GLN 6 -13.788 10.514 5.924 42 2HB GLN 6 1HB GLN 6 -12.682 11.049 4.672 43 1HG GLN 6 2HG GLN 6 -14.736 9.094 3.853 44 2HG GLN 6 1HG GLN 6 -15.308 10.703 4.290 45 1HE2 GLN 6 1HE2 GLN 6 -13.504 8.826 1.998 46 2HE2 GLN 6 2HE2 GLN 6 -13.323 10.076 0.810 47 H LEU 7 H LEU 7 -10.292 9.971 4.493 48 HA LEU 7 HA LEU 7 -10.221 8.887 1.815 49 1HB LEU 7 2HB LEU 7 -8.186 10.488 3.365 50 2HB LEU 7 1HB LEU 7 -8.059 10.076 1.666 51 HG LEU 7 HG LEU 7 -10.194 11.827 2.892 52 1HD1 LEU 7 1HD1 LEU 7 -8.015 12.905 2.874 53 2HD1 LEU 7 2HD1 LEU 7 -9.089 13.635 1.681 54 3HD1 LEU 7 3HD1 LEU 7 -7.825 12.520 1.162 55 1HD2 LEU 7 1HD2 LEU 7 -10.820 12.297 0.573 56 2HD2 LEU 7 2HD2 LEU 7 -11.031 10.594 0.974 57 3HD2 LEU 7 3HD2 LEU 7 -9.644 11.108 0.017 58 H LEU 8 H LEU 8 -9.856 7.303 4.510 59 HA LEU 8 HA LEU 8 -7.469 5.820 3.633 60 1HB LEU 8 2HB LEU 8 -8.290 6.423 6.474 61 2HB LEU 8 1HB LEU 8 -6.971 5.364 6.013 62 HG LEU 8 HG LEU 8 -7.104 8.321 5.400 63 1HD1 LEU 8 1HD1 LEU 8 -5.359 8.541 7.098 64 2HD1 LEU 8 2HD1 LEU 8 -5.515 6.826 7.483 65 3HD1 LEU 8 3HD1 LEU 8 -6.861 7.926 7.788 66 1HD2 LEU 8 1HD2 LEU 8 -5.814 7.041 3.763 67 2HD2 LEU 8 2HD2 LEU 8 -4.859 6.334 5.065 68 3HD2 LEU 8 3HD2 LEU 8 -4.771 8.065 4.747 69 H GLU 9 H GLU 9 -10.294 5.575 5.791 70 HA GLU 9 HA GLU 9 -11.693 3.889 6.320 71 1HB GLU 9 2HB GLU 9 -10.861 3.020 3.575 72 2HB GLU 9 1HB GLU 9 -11.887 1.989 4.563 73 1HG GLU 9 2HG GLU 9 -12.500 4.816 3.733 74 2HG GLU 9 1HG GLU 9 -13.197 3.353 3.040 75 H VAL 10 H VAL 10 -11.653 1.200 6.203 76 HA VAL 10 HA VAL 10 -9.309 0.612 7.841 77 HB VAL 10 HB VAL 10 -11.831 -1.014 7.493 78 1HG1 VAL 10 1HG1 VAL 10 -9.918 -2.352 8.189 79 2HG1 VAL 10 2HG1 VAL 10 -11.086 -2.189 9.501 80 3HG1 VAL 10 3HG1 VAL 10 -9.607 -1.230 9.515 81 1HG2 VAL 10 1HG2 VAL 10 -12.464 -0.158 9.701 82 2HG2 VAL 10 2HG2 VAL 10 -12.325 1.140 8.514 83 3HG2 VAL 10 3HG2 VAL 10 -11.044 0.885 9.701 84 H LEU 11 H LEU 11 -7.648 -0.129 6.718 85 HA LEU 11 HA LEU 11 -8.124 -2.063 4.566 86 1HB LEU 11 2HB LEU 11 -5.649 -0.453 5.216 87 2HB LEU 11 1HB LEU 11 -5.806 -1.573 3.874 88 HG LEU 11 HG LEU 11 -7.442 0.943 4.222 89 1HD1 LEU 11 1HD1 LEU 11 -6.101 1.836 2.401 90 2HD1 LEU 11 2HD1 LEU 11 -5.141 0.356 2.368 91 3HD1 LEU 11 3HD1 LEU 11 -5.081 1.415 3.779 92 1HD2 LEU 11 1HD2 LEU 11 -7.231 -0.993 1.918 93 2HD2 LEU 11 2HD2 LEU 11 -8.148 0.512 1.922 94 3HD2 LEU 11 3HD2 LEU 11 -8.619 -0.808 2.993 95 H ALA 12 H ALA 12 -8.027 -4.101 5.197 96 HA ALA 12 HA ALA 12 -6.096 -4.818 7.299 97 1HB ALA 12 1HB ALA 12 -7.702 -6.460 8.140 98 2HB ALA 12 2HB ALA 12 -8.871 -5.932 6.931 99 3HB ALA 12 3HB ALA 12 -8.358 -4.824 8.201 100 H CYS 13 H CYS 13 -5.530 -7.124 7.315 101 HA CYS 13 HA CYS 13 -4.784 -8.003 4.687 102 1HB CYS 13 2HB CYS 13 -3.235 -8.224 6.557 103 2HB CYS 13 1HB CYS 13 -4.389 -9.227 7.428 104 HG CYS 13 HG CYS 13 -2.988 -10.175 4.448 105 HA PRO 14 HA PRO 14 -8.390 -10.568 4.046 106 1HB PRO 14 2HB PRO 14 -6.813 -11.858 1.939 107 2HB PRO 14 1HB PRO 14 -8.285 -10.893 1.804 108 1HG PRO 14 2HG PRO 14 -5.898 -9.983 0.956 109 2HG PRO 14 1HG PRO 14 -7.127 -8.907 1.644 110 1HD PRO 14 2HD PRO 14 -4.672 -10.052 2.929 111 2HD PRO 14 1HD PRO 14 -5.344 -8.410 3.040 112 H LYS 15 H LYS 15 -6.397 -11.438 6.011 113 HA LYS 15 HA LYS 15 -6.649 -14.347 5.651 114 1HB LYS 15 2HB LYS 15 -4.424 -12.715 6.827 115 2HB LYS 15 1HB LYS 15 -4.711 -14.343 7.423 116 1HG LYS 15 2HG LYS 15 -4.319 -15.275 5.252 117 2HG LYS 15 1HG LYS 15 -4.213 -13.664 4.534 118 1HD LYS 15 2HD LYS 15 -2.176 -13.200 5.623 119 2HD LYS 15 1HD LYS 15 -2.381 -14.549 6.743 120 1HE LYS 15 2HE LYS 15 -2.092 -14.959 3.780 121 2HE LYS 15 1HE LYS 15 -0.698 -14.848 4.852 122 1HZ LYS 15 1HZ LYS 15 -1.479 -16.741 6.077 123 2HZ LYS 15 2HZ LYS 15 -1.409 -17.154 4.432 124 3HZ LYS 15 3HZ LYS 15 -2.906 -16.820 5.162 125 H ASP 16 H ASP 16 -6.084 -12.008 8.286 126 HA ASP 16 HA ASP 16 -8.211 -13.343 9.817 127 1HB ASP 16 2HB ASP 16 -5.825 -14.050 10.418 128 2HB ASP 16 1HB ASP 16 -5.613 -12.421 11.048 129 H LYS 17 H LYS 17 -7.856 -10.727 8.294 130 HA LYS 17 HA LYS 17 -8.711 -8.633 8.437 131 1HB LYS 17 2HB LYS 17 -9.814 -9.719 11.021 132 2HB LYS 17 1HB LYS 17 -10.099 -8.064 10.514 133 1HG LYS 17 2HG LYS 17 -12.002 -9.280 9.880 134 2HG LYS 17 1HG LYS 17 -11.091 -9.016 8.394 135 1HD LYS 17 2HD LYS 17 -10.200 -11.284 8.528 136 2HD LYS 17 1HD LYS 17 -11.069 -11.547 10.041 137 1HE LYS 17 2HE LYS 17 -12.240 -12.538 8.125 138 2HE LYS 17 1HE LYS 17 -13.192 -11.275 8.903 139 1HZ LYS 17 1HZ LYS 17 -11.538 -10.858 6.477 140 2HZ LYS 17 2HZ LYS 17 -12.625 -9.757 7.170 141 3HZ LYS 17 3HZ LYS 17 -13.203 -11.176 6.444 142 H GLY 18 H GLY 18 -6.061 -9.450 9.714 143 1HA GLY 18 2HA GLY 18 -5.564 -7.605 11.818 144 2HA GLY 18 1HA GLY 18 -4.343 -8.410 10.843 145 HA PRO 19 HA PRO 19 -5.524 -3.843 9.465 146 1HB PRO 19 2HB PRO 19 -3.875 -2.804 11.691 147 2HB PRO 19 1HB PRO 19 -5.430 -2.232 11.079 148 1HG PRO 19 2HG PRO 19 -5.261 -3.520 13.413 149 2HG PRO 19 1HG PRO 19 -6.636 -3.769 12.319 150 1HD PRO 19 2HD PRO 19 -4.238 -5.511 12.775 151 2HD PRO 19 1HD PRO 19 -5.943 -5.970 12.574 152 H LEU 20 H LEU 20 -4.208 -2.937 8.008 153 HA LEU 20 HA LEU 20 -1.407 -3.806 7.950 154 1HB LEU 20 2HB LEU 20 -3.030 -2.462 5.782 155 2HB LEU 20 1HB LEU 20 -1.447 -3.193 5.603 156 HG LEU 20 HG LEU 20 -3.979 -4.705 6.257 157 1HD1 LEU 20 1HD1 LEU 20 -3.818 -5.556 3.976 158 2HD1 LEU 20 2HD1 LEU 20 -2.432 -4.507 3.678 159 3HD1 LEU 20 3HD1 LEU 20 -4.019 -3.804 3.991 160 1HD2 LEU 20 1HD2 LEU 20 -1.196 -5.650 5.595 161 2HD2 LEU 20 2HD2 LEU 20 -2.611 -6.685 5.783 162 3HD2 LEU 20 3HD2 LEU 20 -1.994 -5.771 7.162 163 H ARG 21 H ARG 21 0.289 -2.281 7.611 164 HA ARG 21 HA ARG 21 -0.303 0.405 8.541 165 1HB ARG 21 2HB ARG 21 1.752 -0.744 9.323 166 2HB ARG 21 1HB ARG 21 2.344 -0.784 7.666 167 1HG ARG 21 2HG ARG 21 2.235 1.703 7.638 168 2HG ARG 21 1HG ARG 21 1.836 1.651 9.354 169 1HD ARG 21 2HD ARG 21 4.336 0.472 8.153 170 2HD ARG 21 1HD ARG 21 4.241 2.085 8.850 171 HE ARG 21 HE ARG 21 4.246 -0.457 10.282 172 1HH1 ARG 21 1HH1 ARG 21 3.780 3.023 10.438 173 2HH1 ARG 21 2HH1 ARG 21 4.173 3.120 12.131 174 1HH2 ARG 21 1HH2 ARG 21 4.732 -0.343 12.488 175 2HH2 ARG 21 2HH2 ARG 21 4.680 1.192 13.315 176 H TYR 22 H TYR 22 -0.856 1.982 7.221 177 HA TYR 22 HA TYR 22 -0.599 1.623 4.350 178 1HB TYR 22 2HB TYR 22 -2.719 2.448 5.272 179 2HB TYR 22 1HB TYR 22 -1.892 3.832 5.972 180 HD1 TYR 22 1HD TYR 22 -1.280 5.733 4.608 181 HD2 TYR 22 2HD TYR 22 -3.084 2.305 2.848 182 HE1 TYR 22 1HE TYR 22 -1.712 7.022 2.559 183 HE2 TYR 22 2HE TYR 22 -3.514 3.583 0.790 184 HH TYR 22 HH TYR 22 -3.783 5.921 0.098 185 H LEU 23 H LEU 23 1.328 2.083 3.523 186 HA LEU 23 HA LEU 23 2.899 4.299 4.526 187 1HB LEU 23 2HB LEU 23 3.339 2.475 2.155 188 2HB LEU 23 1HB LEU 23 4.482 3.680 2.719 189 HG LEU 23 HG LEU 23 3.585 1.246 4.266 190 1HD1 LEU 23 1HD1 LEU 23 5.061 0.737 2.380 191 2HD1 LEU 23 2HD1 LEU 23 5.853 0.456 3.930 192 3HD1 LEU 23 3HD1 LEU 23 6.235 1.901 2.992 193 1HD2 LEU 23 1HD2 LEU 23 4.053 3.139 5.731 194 2HD2 LEU 23 2HD2 LEU 23 5.619 3.362 4.946 195 3HD2 LEU 23 3HD2 LEU 23 5.297 1.898 5.878 196 H GLU 24 H GLU 24 2.465 6.301 3.964 197 HA GLU 24 HA GLU 24 0.755 6.874 1.708 198 1HB GLU 24 2HB GLU 24 1.512 9.286 2.793 199 2HB GLU 24 1HB GLU 24 0.072 8.379 3.217 200 1HG GLU 24 2HG GLU 24 1.131 9.006 5.234 201 2HG GLU 24 1HG GLU 24 1.407 7.280 5.025 202 H SER 25 H SER 25 4.069 6.971 2.502 203 HA SER 25 HA SER 25 4.911 8.854 0.556 204 1HB SER 25 2HB SER 25 7.148 7.474 1.021 205 2HB SER 25 1HB SER 25 6.495 8.629 2.183 206 HG SER 25 HG SER 25 5.779 7.020 3.434 207 H GLU 26 H GLU 26 5.171 5.279 0.609 208 HA GLU 26 HA GLU 26 5.691 5.393 -2.284 209 1HB GLU 26 2HB GLU 26 6.395 3.286 -0.243 210 2HB GLU 26 1HB GLU 26 6.667 3.113 -1.972 211 1HG GLU 26 2HG GLU 26 8.160 5.023 -1.950 212 2HG GLU 26 1HG GLU 26 7.857 5.259 -0.230 213 H GLN 27 H GLN 27 3.159 4.962 -0.374 214 HA GLN 27 HA GLN 27 1.179 3.888 -0.427 215 1HB GLN 27 2HB GLN 27 1.883 4.238 -3.294 216 2HB GLN 27 1HB GLN 27 0.483 3.248 -2.902 217 1HG GLN 27 2HG GLN 27 -0.448 5.330 -3.177 218 2HG GLN 27 1HG GLN 27 -0.226 5.257 -1.433 219 1HE2 GLN 27 1HE2 GLN 27 -0.530 7.595 -2.971 220 2HE2 GLN 27 2HE2 GLN 27 0.925 8.521 -2.829 221 H LEU 28 H LEU 28 2.262 2.160 0.749 222 HA LEU 28 HA LEU 28 1.843 -0.379 -0.661 223 1HB LEU 28 2HB LEU 28 4.117 0.264 1.226 224 2HB LEU 28 1HB LEU 28 3.709 -1.354 0.691 225 HG LEU 28 HG LEU 28 4.598 0.886 -1.128 226 1HD1 LEU 28 1HD1 LEU 28 6.109 -1.526 -0.116 227 2HD1 LEU 28 2HD1 LEU 28 6.382 0.143 0.390 228 3HD1 LEU 28 3HD1 LEU 28 6.703 -0.340 -1.278 229 1HD2 LEU 28 1HD2 LEU 28 3.139 -0.748 -2.227 230 2HD2 LEU 28 2HD2 LEU 28 4.171 -2.057 -1.653 231 3HD2 LEU 28 3HD2 LEU 28 4.800 -0.882 -2.808 232 H LEU 29 H LEU 29 0.933 -2.007 0.609 233 HA LEU 29 HA LEU 29 0.051 -1.155 3.289 234 1HB LEU 29 2HB LEU 29 -1.163 -3.176 1.396 235 2HB LEU 29 1HB LEU 29 -1.737 -2.872 3.025 236 HG LEU 29 HG LEU 29 -1.753 -0.898 0.745 237 1HD1 LEU 29 1HD1 LEU 29 -4.193 -1.114 0.920 238 2HD1 LEU 29 2HD1 LEU 29 -3.982 -2.388 2.120 239 3HD1 LEU 29 3HD1 LEU 29 -3.415 -2.631 0.466 240 1HD2 LEU 29 1HD2 LEU 29 -2.986 0.552 2.261 241 2HD2 LEU 29 2HD2 LEU 29 -1.378 0.191 2.896 242 3HD2 LEU 29 3HD2 LEU 29 -2.794 -0.627 3.559 243 H VAL 30 H VAL 30 1.332 -2.019 4.797 244 HA VAL 30 HA VAL 30 2.432 -4.704 4.279 245 HB VAL 30 HB VAL 30 3.654 -2.501 5.946 246 1HG1 VAL 30 1HG1 VAL 30 4.751 -5.198 5.164 247 2HG1 VAL 30 2HG1 VAL 30 4.221 -4.715 6.776 248 3HG1 VAL 30 3HG1 VAL 30 5.624 -3.941 6.040 249 1HG2 VAL 30 1HG2 VAL 30 5.346 -2.353 4.183 250 2HG2 VAL 30 2HG2 VAL 30 3.737 -1.952 3.581 251 3HG2 VAL 30 3HG2 VAL 30 4.445 -3.527 3.222 252 H ASN 31 H ASN 31 1.774 -6.254 5.593 253 HA ASN 31 HA ASN 31 0.475 -5.630 8.113 254 1HB ASN 31 2HB ASN 31 -0.292 -7.521 6.640 255 2HB ASN 31 1HB ASN 31 1.234 -8.335 6.962 256 1HD2 ASN 31 1HD2 ASN 31 -1.524 -9.120 7.530 257 2HD2 ASN 31 2HD2 ASN 31 -1.585 -9.430 9.230 258 H GLU 32 H GLU 32 1.643 -5.231 9.865 259 HA GLU 32 HA GLU 32 4.489 -5.751 9.789 260 1HB GLU 32 2HB GLU 32 3.351 -3.579 10.518 261 2HB GLU 32 1HB GLU 32 2.956 -4.418 12.008 262 1HG GLU 32 2HG GLU 32 5.203 -4.602 12.636 263 2HG GLU 32 1HG GLU 32 5.772 -4.218 11.010 264 H ARG 33 H ARG 33 1.832 -7.428 10.826 265 HA ARG 33 HA ARG 33 3.202 -8.677 13.087 266 1HB ARG 33 2HB ARG 33 0.382 -9.054 12.058 267 2HB ARG 33 1HB ARG 33 1.049 -9.796 13.506 268 1HG ARG 33 2HG ARG 33 1.393 -7.566 14.471 269 2HG ARG 33 1HG ARG 33 0.661 -6.849 13.035 270 1HD ARG 33 2HD ARG 33 -1.430 -7.988 13.503 271 2HD ARG 33 1HD ARG 33 -0.702 -8.798 14.889 272 HE ARG 33 HE ARG 33 -1.446 -5.970 14.702 273 1HH1 ARG 33 1HH1 ARG 33 -0.131 -8.630 16.558 274 2HH1 ARG 33 2HH1 ARG 33 -0.290 -7.818 18.086 275 1HH2 ARG 33 1HH2 ARG 33 -1.691 -4.905 16.715 276 2HH2 ARG 33 2HH2 ARG 33 -1.174 -5.695 18.177 277 H LEU 34 H LEU 34 2.024 -9.358 9.850 278 HA LEU 34 HA LEU 34 2.982 -12.119 10.077 279 1HB LEU 34 2HB LEU 34 1.273 -10.809 7.965 280 2HB LEU 34 1HB LEU 34 1.781 -12.487 7.944 281 HG LEU 34 HG LEU 34 -0.014 -11.206 10.007 282 1HD1 LEU 34 1HD1 LEU 34 -1.727 -12.678 9.064 283 2HD1 LEU 34 2HD1 LEU 34 -0.580 -13.213 7.835 284 3HD1 LEU 34 3HD1 LEU 34 -1.115 -11.531 7.870 285 1HD2 LEU 34 1HD2 LEU 34 -0.269 -13.445 10.922 286 2HD2 LEU 34 2HD2 LEU 34 1.424 -12.950 10.970 287 3HD2 LEU 34 3HD2 LEU 34 0.870 -14.076 9.732 288 H ASN 35 H ASN 35 3.964 -9.119 8.930 289 HA ASN 35 HA ASN 35 5.778 -8.404 7.763 290 1HB ASN 35 2HB ASN 35 6.594 -11.316 7.864 291 2HB ASN 35 1HB ASN 35 7.626 -10.004 7.309 292 1HD2 ASN 35 1HD2 ASN 35 6.678 -8.133 9.325 293 2HD2 ASN 35 2HD2 ASN 35 7.380 -8.638 10.820 294 H LEU 36 H LEU 36 3.381 -9.071 6.371 295 HA LEU 36 HA LEU 36 4.483 -9.846 3.751 296 1HB LEU 36 2HB LEU 36 1.672 -10.222 4.792 297 2HB LEU 36 1HB LEU 36 2.174 -10.546 3.145 298 HG LEU 36 HG LEU 36 3.208 -11.980 5.594 299 1HD1 LEU 36 1HD1 LEU 36 0.882 -12.527 5.143 300 2HD1 LEU 36 2HD1 LEU 36 1.931 -13.886 4.734 301 3HD1 LEU 36 3HD1 LEU 36 1.273 -12.864 3.455 302 1HD2 LEU 36 1HD2 LEU 36 4.239 -13.506 3.989 303 2HD2 LEU 36 2HD2 LEU 36 4.865 -11.868 3.804 304 3HD2 LEU 36 3HD2 LEU 36 3.678 -12.493 2.659 305 H ALA 37 H ALA 37 3.893 -8.593 1.957 306 HA ALA 37 HA ALA 37 2.612 -6.027 2.644 307 1HB ALA 37 1HB ALA 37 5.027 -5.767 2.378 308 2HB ALA 37 2HB ALA 37 4.147 -4.922 1.108 309 3HB ALA 37 3HB ALA 37 4.926 -6.465 0.762 310 H TYR 38 H TYR 38 1.191 -5.166 1.254 311 HA TYR 38 HA TYR 38 0.595 -6.626 -1.240 312 1HB TYR 38 2HB TYR 38 -1.307 -5.014 0.487 313 2HB TYR 38 1HB TYR 38 -1.728 -5.854 -0.999 314 HD1 TYR 38 1HD TYR 38 -1.914 -8.288 -1.043 315 HD2 TYR 38 2HD TYR 38 -1.007 -6.217 2.558 316 HE1 TYR 38 1HE TYR 38 -2.468 -10.305 0.249 317 HE2 TYR 38 2HE TYR 38 -1.562 -8.223 3.864 318 HH TYR 38 HH TYR 38 -1.949 -11.273 2.454 319 H ARG 39 H ARG 39 -0.117 -5.272 -3.030 320 HA ARG 39 HA ARG 39 1.266 -2.692 -2.965 321 1HB ARG 39 2HB ARG 39 0.261 -4.346 -5.279 322 2HB ARG 39 1HB ARG 39 1.074 -2.798 -5.441 323 1HG ARG 39 2HG ARG 39 3.069 -3.768 -4.371 324 2HG ARG 39 1HG ARG 39 2.243 -5.328 -4.312 325 1HD ARG 39 2HD ARG 39 2.861 -3.751 -6.809 326 2HD ARG 39 1HD ARG 39 3.750 -5.165 -6.240 327 HE ARG 39 HE ARG 39 1.251 -6.130 -6.426 328 1HH1 ARG 39 1HH1 ARG 39 3.097 -4.149 -8.667 329 2HH1 ARG 39 2HH1 ARG 39 2.436 -4.921 -10.083 330 1HH2 ARG 39 1HH2 ARG 39 0.376 -7.126 -8.265 331 2HH2 ARG 39 2HH2 ARG 39 0.884 -6.619 -9.853 332 H ILE 40 H ILE 40 0.326 -0.870 -4.079 333 HA ILE 40 HA ILE 40 -2.615 -0.941 -4.235 334 HB ILE 40 HB ILE 40 -0.905 1.473 -3.577 335 1HG1 ILE 40 2HG1 ILE 40 -2.732 -0.145 -1.779 336 2HG1 ILE 40 1HG1 ILE 40 -0.974 -0.169 -1.727 337 1HG2 ILE 40 1HG2 ILE 40 -3.038 2.586 -3.117 338 2HG2 ILE 40 2HG2 ILE 40 -3.905 1.134 -3.616 339 3HG2 ILE 40 3HG2 ILE 40 -2.947 2.036 -4.790 340 1HD1 ILE 40 1HD1 ILE 40 -0.958 2.184 -1.096 341 2HD1 ILE 40 2HD1 ILE 40 -1.894 1.212 0.037 342 3HD1 ILE 40 3HD1 ILE 40 -2.720 2.210 -1.155 343 H ASP 41 H ASP 41 -3.489 -0.292 -6.160 344 HA ASP 41 HA ASP 41 -1.588 0.736 -8.163 345 1HB ASP 41 2HB ASP 41 -2.191 -1.619 -8.619 346 2HB ASP 41 1HB ASP 41 -3.891 -1.161 -8.675 347 H ASP 42 H ASP 42 -2.109 2.855 -8.058 348 HA ASP 42 HA ASP 42 -3.216 4.774 -8.543 349 1HB ASP 42 2HB ASP 42 -3.242 3.605 -10.764 350 2HB ASP 42 1HB ASP 42 -4.865 3.036 -10.391 351 H GLY 43 H GLY 43 -4.045 4.126 -6.203 352 1HA GLY 43 2HA GLY 43 -5.778 4.928 -4.854 353 2HA GLY 43 1HA GLY 43 -6.840 4.938 -6.254 354 H ILE 44 H ILE 44 -5.864 2.025 -6.707 355 HA ILE 44 HA ILE 44 -7.874 0.889 -4.879 356 HB ILE 44 HB ILE 44 -6.932 -0.163 -7.553 357 1HG1 ILE 44 2HG1 ILE 44 -9.558 1.130 -6.772 358 2HG1 ILE 44 1HG1 ILE 44 -8.295 1.888 -7.737 359 1HG2 ILE 44 1HG2 ILE 44 -8.783 -1.768 -7.335 360 2HG2 ILE 44 2HG2 ILE 44 -9.109 -1.156 -5.711 361 3HG2 ILE 44 3HG2 ILE 44 -7.580 -1.967 -6.059 362 1HD1 ILE 44 1HD1 ILE 44 -8.609 0.195 -9.471 363 2HD1 ILE 44 2HD1 ILE 44 -10.099 1.079 -9.146 364 3HD1 ILE 44 3HD1 ILE 44 -9.884 -0.550 -8.507 365 HA PRO 45 HA PRO 45 -4.345 -1.249 -3.074 366 1HB PRO 45 2HB PRO 45 -5.797 -2.466 -1.119 367 2HB PRO 45 1HB PRO 45 -5.234 -0.796 -1.006 368 1HG PRO 45 2HG PRO 45 -7.933 -1.837 -1.767 369 2HG PRO 45 1HG PRO 45 -7.516 -0.455 -0.737 370 1HD PRO 45 2HD PRO 45 -8.293 -0.181 -3.316 371 2HD PRO 45 1HD PRO 45 -7.150 0.933 -2.536 372 H VAL 46 H VAL 46 -3.557 -3.164 -3.679 373 HA VAL 46 HA VAL 46 -5.366 -5.078 -4.941 374 HB VAL 46 HB VAL 46 -2.337 -5.077 -4.881 375 1HG1 VAL 46 1HG1 VAL 46 -2.530 -6.681 -6.721 376 2HG1 VAL 46 2HG1 VAL 46 -4.286 -6.651 -6.563 377 3HG1 VAL 46 3HG1 VAL 46 -3.294 -7.287 -5.252 378 1HG2 VAL 46 1HG2 VAL 46 -3.178 -3.110 -6.049 379 2HG2 VAL 46 2HG2 VAL 46 -4.227 -4.128 -7.038 380 3HG2 VAL 46 3HG2 VAL 46 -2.474 -4.257 -7.189 381 H LEU 47 H LEU 47 -6.296 -6.326 -3.421 382 HA LEU 47 HA LEU 47 -4.622 -7.378 -1.258 383 1HB LEU 47 2HB LEU 47 -7.621 -7.377 -1.591 384 2HB LEU 47 1HB LEU 47 -6.768 -8.070 -0.225 385 HG LEU 47 HG LEU 47 -6.781 -5.147 -0.992 386 1HD1 LEU 47 1HD1 LEU 47 -8.920 -5.886 -0.100 387 2HD1 LEU 47 2HD1 LEU 47 -8.080 -4.862 1.062 388 3HD1 LEU 47 3HD1 LEU 47 -8.107 -6.612 1.286 389 1HD2 LEU 47 1HD2 LEU 47 -5.540 -6.558 1.369 390 2HD2 LEU 47 2HD2 LEU 47 -5.623 -4.811 1.139 391 3HD2 LEU 47 3HD2 LEU 47 -4.671 -5.801 0.032 392 H LEU 48 H LEU 48 -3.544 -8.792 -2.782 393 HA LEU 48 HA LEU 48 -5.131 -11.218 -3.310 394 1HB LEU 48 2HB LEU 48 -2.724 -10.154 -4.785 395 2HB LEU 48 1HB LEU 48 -3.428 -11.735 -5.061 396 HG LEU 48 HG LEU 48 -4.804 -9.090 -5.533 397 1HD1 LEU 48 1HD1 LEU 48 -3.753 -11.143 -7.475 398 2HD1 LEU 48 2HD1 LEU 48 -3.040 -9.562 -7.158 399 3HD1 LEU 48 3HD1 LEU 48 -4.638 -9.677 -7.893 400 1HD2 LEU 48 1HD2 LEU 48 -6.578 -10.430 -6.548 401 2HD2 LEU 48 2HD2 LEU 48 -6.375 -10.830 -4.844 402 3HD2 LEU 48 3HD2 LEU 48 -5.735 -11.908 -6.081 403 H ILE 49 H ILE 49 -4.579 -12.961 -2.203 404 HA ILE 49 HA ILE 49 -2.483 -12.900 -0.288 405 HB ILE 49 HB ILE 49 -4.031 -15.297 -1.298 406 1HG1 ILE 49 2HG1 ILE 49 -4.593 -13.478 1.058 407 2HG1 ILE 49 1HG1 ILE 49 -5.502 -13.502 -0.448 408 1HG2 ILE 49 1HG2 ILE 49 -2.515 -14.898 1.279 409 2HG2 ILE 49 2HG2 ILE 49 -2.004 -15.907 -0.072 410 3HG2 ILE 49 3HG2 ILE 49 -3.454 -16.322 0.840 411 1HD1 ILE 49 1HD1 ILE 49 -6.241 -15.759 0.006 412 2HD1 ILE 49 2HD1 ILE 49 -6.643 -14.689 1.353 413 3HD1 ILE 49 3HD1 ILE 49 -5.276 -15.798 1.481 414 H ASP 50 H ASP 50 -2.816 -14.205 -3.514 415 HA ASP 50 HA ASP 50 -0.347 -15.680 -3.450 416 1HB ASP 50 2HB ASP 50 -2.177 -14.924 -5.734 417 2HB ASP 50 1HB ASP 50 -0.744 -15.928 -5.918 418 H GLU 51 H GLU 51 -0.888 -12.459 -3.464 419 HA GLU 51 HA GLU 51 1.515 -11.932 -5.081 420 1HB GLU 51 2HB GLU 51 -0.630 -10.849 -5.859 421 2HB GLU 51 1HB GLU 51 -0.629 -9.930 -4.360 422 1HG GLU 51 2HG GLU 51 1.534 -8.956 -4.977 423 2HG GLU 51 1HG GLU 51 1.491 -9.853 -6.493 424 H ALA 52 H ALA 52 0.564 -12.385 -2.023 425 HA ALA 52 HA ALA 52 1.685 -10.113 -0.702 426 1HB ALA 52 1HB ALA 52 -0.076 -11.463 0.325 427 2HB ALA 52 2HB ALA 52 1.361 -11.393 1.344 428 3HB ALA 52 3HB ALA 52 1.022 -12.842 0.396 429 H THR 53 H THR 53 3.787 -9.702 -0.866 430 HA THR 53 HA THR 53 5.679 -11.937 -0.743 431 HB THR 53 HB THR 53 7.368 -10.141 -1.408 432 HG1 THR 53 1HG THR 53 5.216 -8.657 -2.453 433 1HG2 THR 53 1HG2 THR 53 6.523 -11.802 -2.989 434 2HG2 THR 53 2HG2 THR 53 6.750 -10.241 -3.777 435 3HG2 THR 53 3HG2 THR 53 5.131 -10.776 -3.332 436 H GLU 54 H GLU 54 7.415 -11.898 0.750 437 HA GLU 54 HA GLU 54 6.737 -10.854 3.291 438 1HB GLU 54 2HB GLU 54 9.444 -11.863 2.406 439 2HB GLU 54 1HB GLU 54 8.863 -11.721 4.059 440 1HG GLU 54 2HG GLU 54 8.503 -13.927 3.765 441 2HG GLU 54 1HG GLU 54 6.973 -13.335 3.115 442 H TRP 55 H TRP 55 7.300 -9.053 4.305 443 HA TRP 55 HA TRP 55 9.167 -7.229 2.938 444 1HB TRP 55 2HB TRP 55 6.684 -6.557 3.161 445 2HB TRP 55 1HB TRP 55 7.022 -6.365 4.875 446 HD1 TRP 55 HD TRP 55 7.894 -4.047 5.596 447 HE1 TRP 55 1HE TRP 55 8.776 -1.965 4.358 448 HE3 TRP 55 3HE TRP 55 8.148 -5.951 0.855 449 HZ2 TRP 55 2HZ TRP 55 9.495 -1.230 1.735 450 HZ3 TRP 55 3HZ TRP 55 8.949 -4.494 -0.958 451 HH2 TRP 55 HH TRP 55 9.608 -2.185 -0.526 452 H THR 56 H THR 56 10.992 -6.845 4.006 453 HA THR 56 HA THR 56 11.567 -8.117 6.455 454 HB THR 56 HB THR 56 13.712 -6.825 6.323 455 HG1 THR 56 1HG THR 56 13.405 -4.986 5.262 456 1HG2 THR 56 1HG2 THR 56 14.520 -7.928 4.297 457 2HG2 THR 56 2HG2 THR 56 12.858 -8.204 3.781 458 3HG2 THR 56 3HG2 THR 56 13.474 -8.999 5.229 459 HA PRO 57 HA PRO 57 10.662 -5.068 9.580 460 1HB PRO 57 2HB PRO 57 13.475 -5.081 10.491 461 2HB PRO 57 1HB PRO 57 12.003 -5.492 11.377 462 1HG PRO 57 2HG PRO 57 13.726 -7.385 10.594 463 2HG PRO 57 1HG PRO 57 11.975 -7.669 10.578 464 1HD PRO 57 2HD PRO 57 13.811 -7.027 8.302 465 2HD PRO 57 1HD PRO 57 12.456 -8.174 8.369 466 H ASN 58 H ASN 58 10.507 -3.524 7.758 467 HA ASN 58 HA ASN 58 12.751 -1.704 7.435 468 1HB ASN 58 2HB ASN 58 11.363 -2.496 5.489 469 2HB ASN 58 1HB ASN 58 10.021 -1.565 6.141 470 1HD2 ASN 58 1HD2 ASN 58 10.121 0.697 6.094 471 2HD2 ASN 58 2HD2 ASN 58 11.232 1.531 5.056 472 H ASN 59 H ASN 59 12.706 -0.960 9.609 473 HA ASN 59 HA ASN 59 11.186 1.437 9.919 474 1HB ASN 59 2HB ASN 59 10.035 0.876 11.991 475 2HB ASN 59 1HB ASN 59 9.526 -0.233 10.726 476 1HD2 ASN 59 1HD2 ASN 59 10.130 -2.390 10.846 477 2HD2 ASN 59 2HD2 ASN 59 10.761 -3.093 12.293 478 H LEU 60 H LEU 60 11.673 2.187 12.416 479 HA LEU 60 HA LEU 60 14.589 2.241 12.365 480 1HB LEU 60 2HB LEU 60 12.578 3.908 13.871 481 2HB LEU 60 1HB LEU 60 14.316 4.121 13.980 482 HG LEU 60 HG LEU 60 12.641 4.487 11.494 483 1HD1 LEU 60 1HD1 LEU 60 13.230 6.839 11.717 484 2HD1 LEU 60 2HD1 LEU 60 14.099 6.488 13.213 485 3HD1 LEU 60 3HD1 LEU 60 12.350 6.268 13.135 486 1HD2 LEU 60 1HD2 LEU 60 14.833 3.615 10.929 487 2HD2 LEU 60 2HD2 LEU 60 15.604 4.843 11.932 488 3HD2 LEU 60 3HD2 LEU 60 14.722 5.317 10.480 489 H GLU 61 H GLU 61 13.375 -0.162 13.355 490 HA GLU 61 HA GLU 61 14.989 -0.312 15.743 491 1HB GLU 61 2HB GLU 61 12.747 0.295 16.645 492 2HB GLU 61 1HB GLU 61 12.084 -1.152 15.896 493 1HG GLU 61 2HG GLU 61 13.560 -2.537 17.265 494 2HG GLU 61 1HG GLU 61 14.227 -1.089 18.011 Start of MODEL 15 1 1H MET 1 1HT MET 1 -5.723 19.488 11.622 2 2H MET 1 2HT MET 1 -6.572 18.104 12.107 3 3H MET 1 3HT MET 1 -7.419 19.495 11.648 4 HA MET 1 HA MET 1 -6.612 19.292 9.393 5 1HB MET 1 2HB MET 1 -4.473 18.212 9.911 6 2HB MET 1 1HB MET 1 -5.314 16.771 10.466 7 1HG MET 1 2HG MET 1 -6.166 16.403 8.200 8 2HG MET 1 1HG MET 1 -5.301 17.840 7.652 9 1HE MET 1 1HE MET 1 -4.240 16.287 5.743 10 2HE MET 1 2HE MET 1 -5.016 14.844 6.385 11 3HE MET 1 3HE MET 1 -3.279 14.848 6.071 12 H SER 2 H SER 2 -8.114 18.472 8.021 13 HA SER 2 HA SER 2 -10.350 17.115 9.082 14 1HB SER 2 2HB SER 2 -10.980 16.956 6.592 15 2HB SER 2 1HB SER 2 -10.778 18.570 7.274 16 HG SER 2 HG SER 2 -9.220 17.207 5.412 17 H LEU 3 H LEU 3 -10.896 15.011 9.127 18 HA LEU 3 HA LEU 3 -8.897 13.105 8.110 19 1HB LEU 3 2HB LEU 3 -9.370 13.020 10.527 20 2HB LEU 3 1HB LEU 3 -11.061 12.712 10.186 21 HG LEU 3 HG LEU 3 -10.432 10.573 9.109 22 1HD1 LEU 3 1HD1 LEU 3 -8.166 11.184 8.425 23 2HD1 LEU 3 2HD1 LEU 3 -8.172 9.705 9.386 24 3HD1 LEU 3 3HD1 LEU 3 -7.667 11.229 10.115 25 1HD2 LEU 3 1HD2 LEU 3 -9.429 10.937 11.928 26 2HD2 LEU 3 2HD2 LEU 3 -9.856 9.399 11.180 27 3HD2 LEU 3 3HD2 LEU 3 -11.096 10.625 11.450 28 H ASP 4 H ASP 4 -9.427 11.581 6.647 29 HA ASP 4 HA ASP 4 -12.225 11.478 5.750 30 1HB ASP 4 2HB ASP 4 -10.751 12.796 4.189 31 2HB ASP 4 1HB ASP 4 -9.841 11.315 3.896 32 HA PRO 5 HA PRO 5 -10.975 7.168 6.712 33 1HB PRO 5 2HB PRO 5 -13.812 6.846 7.328 34 2HB PRO 5 1HB PRO 5 -12.412 6.606 8.375 35 1HG PRO 5 2HG PRO 5 -14.150 8.651 8.710 36 2HG PRO 5 1HG PRO 5 -12.426 8.785 9.111 37 1HD PRO 5 2HD PRO 5 -13.892 9.764 6.687 38 2HD PRO 5 1HD PRO 5 -12.628 10.570 7.639 39 H GLN 6 H GLN 6 -12.850 8.668 4.389 40 HA GLN 6 HA GLN 6 -14.056 6.287 3.267 41 1HB GLN 6 2HB GLN 6 -13.956 9.145 2.290 42 2HB GLN 6 1HB GLN 6 -14.822 7.848 1.475 43 1HG GLN 6 2HG GLN 6 -16.247 7.542 3.409 44 2HG GLN 6 1HG GLN 6 -15.354 8.790 4.282 45 1HE2 GLN 6 1HE2 GLN 6 -17.593 8.126 1.717 46 2HE2 GLN 6 2HE2 GLN 6 -18.175 9.749 1.534 47 H LEU 7 H LEU 7 -11.303 8.395 2.646 48 HA LEU 7 HA LEU 7 -10.442 7.115 0.263 49 1HB LEU 7 2HB LEU 7 -8.878 8.570 2.399 50 2HB LEU 7 1HB LEU 7 -8.200 8.046 0.871 51 HG LEU 7 HG LEU 7 -10.430 10.058 1.187 52 1HD1 LEU 7 1HD1 LEU 7 -8.299 10.925 1.984 53 2HD1 LEU 7 2HD1 LEU 7 -8.752 11.689 0.457 54 3HD1 LEU 7 3HD1 LEU 7 -7.521 10.425 0.482 55 1HD2 LEU 7 1HD2 LEU 7 -10.081 10.459 -1.203 56 2HD2 LEU 7 2HD2 LEU 7 -10.596 8.801 -0.892 57 3HD2 LEU 7 3HD2 LEU 7 -8.904 9.146 -1.247 58 H LEU 8 H LEU 8 -10.296 6.305 3.601 59 HA LEU 8 HA LEU 8 -8.214 4.318 3.292 60 1HB LEU 8 2HB LEU 8 -10.008 4.932 5.645 61 2HB LEU 8 1HB LEU 8 -8.625 3.855 5.671 62 HG LEU 8 HG LEU 8 -8.495 6.824 5.141 63 1HD1 LEU 8 1HD1 LEU 8 -9.140 6.357 7.438 64 2HD1 LEU 8 2HD1 LEU 8 -7.482 6.961 7.367 65 3HD1 LEU 8 3HD1 LEU 8 -7.785 5.239 7.604 66 1HD2 LEU 8 1HD2 LEU 8 -6.081 6.533 5.391 67 2HD2 LEU 8 2HD2 LEU 8 -6.704 5.587 4.038 68 3HD2 LEU 8 3HD2 LEU 8 -6.305 4.791 5.560 69 H GLU 9 H GLU 9 -11.670 4.337 4.100 70 HA GLU 9 HA GLU 9 -13.299 2.779 3.995 71 1HB GLU 9 2HB GLU 9 -11.451 1.458 1.999 72 2HB GLU 9 1HB GLU 9 -13.092 0.926 2.328 73 1HG GLU 9 2HG GLU 9 -13.837 3.248 1.665 74 2HG GLU 9 1HG GLU 9 -12.195 3.499 1.075 75 H VAL 10 H VAL 10 -13.215 -0.006 3.800 76 HA VAL 10 HA VAL 10 -12.365 -0.660 6.457 77 HB VAL 10 HB VAL 10 -13.416 -2.524 4.322 78 1HG1 VAL 10 1HG1 VAL 10 -13.244 -2.799 7.319 79 2HG1 VAL 10 2HG1 VAL 10 -12.326 -3.713 6.120 80 3HG1 VAL 10 3HG1 VAL 10 -14.074 -3.925 6.247 81 1HG2 VAL 10 1HG2 VAL 10 -15.010 -0.738 4.699 82 2HG2 VAL 10 2HG2 VAL 10 -14.914 -0.990 6.441 83 3HG2 VAL 10 3HG2 VAL 10 -15.607 -2.240 5.410 84 H LEU 11 H LEU 11 -10.276 -0.975 6.871 85 HA LEU 11 HA LEU 11 -8.668 -2.383 4.841 86 1HB LEU 11 2HB LEU 11 -7.832 -0.317 6.872 87 2HB LEU 11 1HB LEU 11 -6.704 -1.238 5.896 88 HG LEU 11 HG LEU 11 -8.784 0.677 4.841 89 1HD1 LEU 11 1HD1 LEU 11 -5.785 0.918 5.025 90 2HD1 LEU 11 2HD1 LEU 11 -6.966 1.821 5.975 91 3HD1 LEU 11 3HD1 LEU 11 -6.863 2.065 4.231 92 1HD2 LEU 11 1HD2 LEU 11 -8.355 -1.179 3.306 93 2HD2 LEU 11 2HD2 LEU 11 -6.623 -0.849 3.388 94 3HD2 LEU 11 3HD2 LEU 11 -7.718 0.341 2.677 95 H ALA 12 H ALA 12 -8.366 -4.411 5.388 96 HA ALA 12 HA ALA 12 -7.152 -5.049 7.929 97 1HB ALA 12 1HB ALA 12 -9.538 -5.228 8.458 98 2HB ALA 12 2HB ALA 12 -8.757 -6.811 8.495 99 3HB ALA 12 3HB ALA 12 -9.757 -6.349 7.114 100 H CYS 13 H CYS 13 -5.973 -6.980 7.842 101 HA CYS 13 HA CYS 13 -5.162 -7.849 5.261 102 1HB CYS 13 2HB CYS 13 -3.619 -7.913 7.136 103 2HB CYS 13 1HB CYS 13 -4.666 -9.035 8.000 104 HG CYS 13 HG CYS 13 -3.080 -9.783 5.048 105 HA PRO 14 HA PRO 14 -8.525 -10.628 4.397 106 1HB PRO 14 2HB PRO 14 -6.515 -11.895 2.612 107 2HB PRO 14 1HB PRO 14 -8.136 -11.298 2.244 108 1HG PRO 14 2HG PRO 14 -5.976 -9.935 1.481 109 2HG PRO 14 1HG PRO 14 -7.427 -9.093 2.059 110 1HD PRO 14 2HD PRO 14 -4.842 -9.607 3.470 111 2HD PRO 14 1HD PRO 14 -5.893 -8.177 3.525 112 H LYS 15 H LYS 15 -5.254 -11.892 4.962 113 HA LYS 15 HA LYS 15 -6.335 -14.509 5.629 114 1HB LYS 15 2HB LYS 15 -4.235 -14.315 4.303 115 2HB LYS 15 1HB LYS 15 -3.458 -13.582 5.702 116 1HG LYS 15 2HG LYS 15 -3.803 -15.611 6.988 117 2HG LYS 15 1HG LYS 15 -4.647 -16.348 5.627 118 1HD LYS 15 2HD LYS 15 -2.433 -17.210 5.632 119 2HD LYS 15 1HD LYS 15 -2.545 -16.071 4.292 120 1HE LYS 15 2HE LYS 15 -1.374 -14.396 5.529 121 2HE LYS 15 1HE LYS 15 -1.442 -15.358 7.004 122 1HZ LYS 15 1HZ LYS 15 -0.027 -17.011 5.949 123 2HZ LYS 15 2HZ LYS 15 0.736 -15.498 5.966 124 3HZ LYS 15 3HZ LYS 15 0.044 -16.084 4.530 125 H ASP 16 H ASP 16 -4.376 -12.016 7.232 126 HA ASP 16 HA ASP 16 -4.418 -13.456 9.729 127 1HB ASP 16 2HB ASP 16 -2.395 -12.344 9.149 128 2HB ASP 16 1HB ASP 16 -3.230 -10.826 8.862 129 H LYS 17 H LYS 17 -6.252 -10.929 8.276 130 HA LYS 17 HA LYS 17 -7.961 -9.621 8.961 131 1HB LYS 17 2HB LYS 17 -8.155 -11.754 11.081 132 2HB LYS 17 1HB LYS 17 -9.326 -10.450 10.912 133 1HG LYS 17 2HG LYS 17 -9.742 -11.196 8.584 134 2HG LYS 17 1HG LYS 17 -8.672 -12.566 8.874 135 1HD LYS 17 2HD LYS 17 -11.020 -13.180 9.138 136 2HD LYS 17 1HD LYS 17 -10.132 -13.352 10.653 137 1HE LYS 17 2HE LYS 17 -11.048 -11.288 11.483 138 2HE LYS 17 1HE LYS 17 -11.811 -10.952 9.930 139 1HZ LYS 17 1HZ LYS 17 -13.325 -12.716 10.234 140 2HZ LYS 17 2HZ LYS 17 -13.308 -11.868 11.701 141 3HZ LYS 17 3HZ LYS 17 -12.473 -13.340 11.561 142 H GLY 18 H GLY 18 -5.256 -9.092 9.872 143 1HA GLY 18 2HA GLY 18 -5.827 -7.579 12.334 144 2HA GLY 18 1HA GLY 18 -4.220 -8.036 11.782 145 HA PRO 19 HA PRO 19 -5.306 -3.674 10.411 146 1HB PRO 19 2HB PRO 19 -3.393 -2.341 11.765 147 2HB PRO 19 1HB PRO 19 -4.952 -2.751 12.489 148 1HG PRO 19 2HG PRO 19 -2.305 -4.113 12.794 149 2HG PRO 19 1HG PRO 19 -3.526 -3.745 14.026 150 1HD PRO 19 2HD PRO 19 -3.248 -6.208 12.881 151 2HD PRO 19 1HD PRO 19 -4.789 -5.590 13.507 152 H LEU 20 H LEU 20 -4.087 -2.287 9.033 153 HA LEU 20 HA LEU 20 -1.650 -3.543 7.954 154 1HB LEU 20 2HB LEU 20 -3.744 -1.922 6.496 155 2HB LEU 20 1HB LEU 20 -2.276 -2.558 5.779 156 HG LEU 20 HG LEU 20 -4.487 -4.258 6.940 157 1HD1 LEU 20 1HD1 LEU 20 -3.814 -3.639 4.066 158 2HD1 LEU 20 2HD1 LEU 20 -5.243 -3.088 4.939 159 3HD1 LEU 20 3HD1 LEU 20 -5.015 -4.807 4.613 160 1HD2 LEU 20 1HD2 LEU 20 -3.313 -6.091 5.798 161 2HD2 LEU 20 2HD2 LEU 20 -2.315 -5.344 7.044 162 3HD2 LEU 20 3HD2 LEU 20 -2.029 -4.973 5.344 163 H ARG 21 H ARG 21 0.129 -2.289 7.708 164 HA ARG 21 HA ARG 21 0.039 0.398 8.808 165 1HB ARG 21 2HB ARG 21 1.844 -1.245 9.409 166 2HB ARG 21 1HB ARG 21 2.421 -1.140 7.752 167 1HG ARG 21 2HG ARG 21 2.938 1.196 8.036 168 2HG ARG 21 1HG ARG 21 2.250 1.180 9.661 169 1HD ARG 21 2HD ARG 21 3.955 -0.518 10.302 170 2HD ARG 21 1HD ARG 21 4.687 -0.322 8.708 171 HE ARG 21 HE ARG 21 4.626 2.213 9.655 172 1HH1 ARG 21 1HH1 ARG 21 5.846 -0.801 10.980 173 2HH1 ARG 21 2HH1 ARG 21 7.068 -0.038 11.942 174 1HH2 ARG 21 1HH2 ARG 21 6.233 3.220 10.918 175 2HH2 ARG 21 2HH2 ARG 21 7.293 2.268 11.907 176 H TYR 22 H TYR 22 -0.123 2.157 7.605 177 HA TYR 22 HA TYR 22 -0.142 1.858 4.716 178 1HB TYR 22 2HB TYR 22 -2.073 2.927 5.625 179 2HB TYR 22 1HB TYR 22 -1.095 4.036 6.575 180 HD1 TYR 22 1HD TYR 22 -0.462 6.116 5.713 181 HD2 TYR 22 2HD TYR 22 -2.043 3.171 3.082 182 HE1 TYR 22 1HE TYR 22 -0.595 7.794 3.925 183 HE2 TYR 22 2HE TYR 22 -2.185 4.846 1.285 184 HH TYR 22 HH TYR 22 -2.329 7.298 1.048 185 H LEU 23 H LEU 23 1.653 2.201 3.639 186 HA LEU 23 HA LEU 23 3.664 4.065 4.574 187 1HB LEU 23 2HB LEU 23 3.443 2.344 2.117 188 2HB LEU 23 1HB LEU 23 4.719 3.528 2.304 189 HG LEU 23 HG LEU 23 5.614 1.409 2.909 190 1HD1 LEU 23 1HD1 LEU 23 6.235 1.747 5.257 191 2HD1 LEU 23 2HD1 LEU 23 4.980 2.978 5.400 192 3HD1 LEU 23 3HD1 LEU 23 6.345 3.234 4.314 193 1HD2 LEU 23 1HD2 LEU 23 3.528 0.214 3.315 194 2HD2 LEU 23 2HD2 LEU 23 3.301 1.107 4.819 195 3HD2 LEU 23 3HD2 LEU 23 4.658 -0.008 4.649 196 H GLU 24 H GLU 24 4.082 6.092 3.735 197 HA GLU 24 HA GLU 24 1.750 7.260 2.413 198 1HB GLU 24 2HB GLU 24 4.048 8.613 3.838 199 2HB GLU 24 1HB GLU 24 2.578 9.392 3.264 200 1HG GLU 24 2HG GLU 24 1.242 8.171 4.828 201 2HG GLU 24 1HG GLU 24 2.625 7.197 5.320 202 H SER 25 H SER 25 5.193 6.828 1.890 203 HA SER 25 HA SER 25 5.136 8.576 -0.443 204 1HB SER 25 2HB SER 25 7.105 8.651 1.039 205 2HB SER 25 1HB SER 25 7.393 6.937 0.750 206 HG SER 25 HG SER 25 7.705 9.117 -1.012 207 H GLU 26 H GLU 26 5.771 5.210 0.383 208 HA GLU 26 HA GLU 26 5.838 4.317 -2.341 209 1HB GLU 26 2HB GLU 26 5.421 2.563 0.078 210 2HB GLU 26 1HB GLU 26 6.208 2.157 -1.440 211 1HG GLU 26 2HG GLU 26 8.045 2.399 -0.145 212 2HG GLU 26 1HG GLU 26 7.866 4.068 -0.676 213 H GLN 27 H GLN 27 3.489 4.710 0.148 214 HA GLN 27 HA GLN 27 1.318 4.197 0.410 215 1HB GLN 27 2HB GLN 27 1.259 4.658 -2.572 216 2HB GLN 27 1HB GLN 27 -0.136 4.693 -1.497 217 1HG GLN 27 2HG GLN 27 1.237 6.479 -0.206 218 2HG GLN 27 1HG GLN 27 2.127 6.623 -1.718 219 1HE2 GLN 27 1HE2 GLN 27 0.451 8.543 -0.337 220 2HE2 GLN 27 2HE2 GLN 27 -0.795 8.999 -1.448 221 H LEU 28 H LEU 28 2.130 2.074 0.937 222 HA LEU 28 HA LEU 28 0.761 0.035 -0.660 223 1HB LEU 28 2HB LEU 28 3.438 -0.312 0.717 224 2HB LEU 28 1HB LEU 28 2.550 -1.562 -0.133 225 HG LEU 28 HG LEU 28 3.710 0.908 -1.430 226 1HD1 LEU 28 1HD1 LEU 28 4.686 -1.945 -1.429 227 2HD1 LEU 28 2HD1 LEU 28 5.463 -0.579 -0.626 228 3HD1 LEU 28 3HD1 LEU 28 5.359 -0.626 -2.387 229 1HD2 LEU 28 1HD2 LEU 28 3.209 -0.247 -3.525 230 2HD2 LEU 28 2HD2 LEU 28 1.741 0.046 -2.591 231 3HD2 LEU 28 3HD2 LEU 28 2.460 -1.563 -2.626 232 H LEU 29 H LEU 29 0.179 -1.868 0.723 233 HA LEU 29 HA LEU 29 -0.240 -0.983 3.505 234 1HB LEU 29 2HB LEU 29 -1.881 -2.893 1.828 235 2HB LEU 29 1HB LEU 29 -2.175 -2.544 3.521 236 HG LEU 29 HG LEU 29 -2.344 -0.532 1.276 237 1HD1 LEU 29 1HD1 LEU 29 -4.505 -1.915 2.856 238 2HD1 LEU 29 2HD1 LEU 29 -4.142 -2.145 1.146 239 3HD1 LEU 29 3HD1 LEU 29 -4.756 -0.593 1.716 240 1HD2 LEU 29 1HD2 LEU 29 -1.669 0.506 3.354 241 2HD2 LEU 29 2HD2 LEU 29 -2.980 -0.299 4.214 242 3HD2 LEU 29 3HD2 LEU 29 -3.345 0.922 2.994 243 H VAL 30 H VAL 30 1.156 -1.946 4.818 244 HA VAL 30 HA VAL 30 1.960 -4.719 4.210 245 HB VAL 30 HB VAL 30 3.577 -2.664 5.730 246 1HG1 VAL 30 1HG1 VAL 30 4.088 -4.962 6.344 247 2HG1 VAL 30 2HG1 VAL 30 5.421 -4.245 5.437 248 3HG1 VAL 30 3HG1 VAL 30 4.325 -5.376 4.644 249 1HG2 VAL 30 1HG2 VAL 30 3.838 -3.549 2.861 250 2HG2 VAL 30 2HG2 VAL 30 5.004 -2.551 3.730 251 3HG2 VAL 30 3HG2 VAL 30 3.374 -1.944 3.432 252 H ASN 31 H ASN 31 1.471 -6.219 5.701 253 HA ASN 31 HA ASN 31 0.695 -5.286 8.376 254 1HB ASN 31 2HB ASN 31 -0.941 -6.737 7.246 255 2HB ASN 31 1HB ASN 31 0.281 -7.992 7.074 256 1HD2 ASN 31 1HD2 ASN 31 -1.223 -9.351 8.205 257 2HD2 ASN 31 2HD2 ASN 31 -1.341 -9.286 9.932 258 H GLU 32 H GLU 32 2.171 -5.353 9.887 259 HA GLU 32 HA GLU 32 4.732 -6.549 9.335 260 1HB GLU 32 2HB GLU 32 4.333 -4.283 10.405 261 2HB GLU 32 1HB GLU 32 3.846 -5.142 11.857 262 1HG GLU 32 2HG GLU 32 6.050 -6.117 12.056 263 2HG GLU 32 1HG GLU 32 6.548 -5.347 10.549 264 H ARG 33 H ARG 33 1.900 -7.636 10.699 265 HA ARG 33 HA ARG 33 3.025 -9.403 12.664 266 1HB ARG 33 2HB ARG 33 0.300 -9.159 11.404 267 2HB ARG 33 1HB ARG 33 0.688 -10.416 12.570 268 1HG ARG 33 2HG ARG 33 1.038 -8.854 14.296 269 2HG ARG 33 1HG ARG 33 1.089 -7.502 13.167 270 1HD ARG 33 2HD ARG 33 -1.040 -7.798 14.538 271 2HD ARG 33 1HD ARG 33 -1.224 -7.575 12.799 272 HE ARG 33 HE ARG 33 -1.889 -9.804 12.581 273 1HH1 ARG 33 1HH1 ARG 33 -1.106 -9.017 15.919 274 2HH1 ARG 33 2HH1 ARG 33 -1.897 -10.429 16.555 275 1HH2 ARG 33 1HH2 ARG 33 -2.903 -11.636 13.405 276 2HH2 ARG 33 2HH2 ARG 33 -2.915 -11.934 15.124 277 H LEU 34 H LEU 34 2.210 -9.556 9.277 278 HA LEU 34 HA LEU 34 2.918 -12.406 9.207 279 1HB LEU 34 2HB LEU 34 1.633 -10.679 7.094 280 2HB LEU 34 1HB LEU 34 1.973 -12.390 6.934 281 HG LEU 34 HG LEU 34 0.002 -11.138 8.849 282 1HD1 LEU 34 1HD1 LEU 34 -0.746 -11.115 6.533 283 2HD1 LEU 34 2HD1 LEU 34 -1.658 -12.301 7.467 284 3HD1 LEU 34 3HD1 LEU 34 -0.373 -12.831 6.383 285 1HD2 LEU 34 1HD2 LEU 34 1.038 -13.110 9.839 286 2HD2 LEU 34 2HD2 LEU 34 0.698 -14.036 8.376 287 3HD2 LEU 34 3HD2 LEU 34 -0.630 -13.450 9.378 288 H ASN 35 H ASN 35 4.142 -9.326 8.558 289 HA ASN 35 HA ASN 35 5.978 -8.504 7.507 290 1HB ASN 35 2HB ASN 35 7.094 -10.460 8.647 291 2HB ASN 35 1HB ASN 35 6.845 -11.391 7.177 292 1HD2 ASN 35 1HD2 ASN 35 8.444 -8.564 8.518 293 2HD2 ASN 35 2HD2 ASN 35 9.707 -8.496 7.331 294 H LEU 36 H LEU 36 3.534 -9.207 6.135 295 HA LEU 36 HA LEU 36 4.550 -9.648 3.406 296 1HB LEU 36 2HB LEU 36 1.850 -10.369 4.554 297 2HB LEU 36 1HB LEU 36 2.284 -10.517 2.863 298 HG LEU 36 HG LEU 36 3.558 -12.043 5.136 299 1HD1 LEU 36 1HD1 LEU 36 2.424 -13.979 4.145 300 2HD1 LEU 36 2HD1 LEU 36 1.625 -12.911 2.990 301 3HD1 LEU 36 3HD1 LEU 36 1.277 -12.765 4.713 302 1HD2 LEU 36 1HD2 LEU 36 4.672 -13.317 3.382 303 2HD2 LEU 36 2HD2 LEU 36 5.115 -11.612 3.294 304 3HD2 LEU 36 3HD2 LEU 36 3.946 -12.279 2.153 305 H ALA 37 H ALA 37 3.772 -8.330 1.787 306 HA ALA 37 HA ALA 37 2.287 -5.953 2.693 307 1HB ALA 37 1HB ALA 37 4.661 -5.473 2.330 308 2HB ALA 37 2HB ALA 37 3.637 -4.614 1.180 309 3HB ALA 37 3HB ALA 37 4.519 -6.054 0.669 310 H TYR 38 H TYR 38 0.692 -5.189 1.436 311 HA TYR 38 HA TYR 38 0.088 -6.661 -1.041 312 1HB TYR 38 2HB TYR 38 -1.760 -4.983 0.680 313 2HB TYR 38 1HB TYR 38 -2.228 -5.908 -0.741 314 HD1 TYR 38 1HD TYR 38 -1.424 -6.043 2.805 315 HD2 TYR 38 2HD TYR 38 -2.325 -8.358 -0.647 316 HE1 TYR 38 1HE TYR 38 -1.884 -7.987 4.237 317 HE2 TYR 38 2HE TYR 38 -2.781 -10.313 0.774 318 HH TYR 38 HH TYR 38 -2.191 -11.139 3.007 319 H ARG 39 H ARG 39 0.315 -5.581 -2.904 320 HA ARG 39 HA ARG 39 1.228 -2.859 -2.800 321 1HB ARG 39 2HB ARG 39 1.520 -3.083 -5.233 322 2HB ARG 39 1HB ARG 39 2.284 -4.394 -4.347 323 1HG ARG 39 2HG ARG 39 0.460 -5.878 -4.901 324 2HG ARG 39 1HG ARG 39 -0.391 -4.563 -5.714 325 1HD ARG 39 2HD ARG 39 2.282 -5.710 -6.506 326 2HD ARG 39 1HD ARG 39 0.747 -6.005 -7.320 327 HE ARG 39 HE ARG 39 2.334 -3.555 -7.396 328 1HH1 ARG 39 1HH1 ARG 39 -0.547 -5.291 -8.334 329 2HH1 ARG 39 2HH1 ARG 39 -1.013 -4.153 -9.558 330 1HH2 ARG 39 1HH2 ARG 39 1.739 -2.016 -8.977 331 2HH2 ARG 39 2HH2 ARG 39 0.272 -2.244 -9.898 332 H ILE 40 H ILE 40 0.215 -1.044 -3.429 333 HA ILE 40 HA ILE 40 -2.617 -1.258 -4.151 334 HB ILE 40 HB ILE 40 -1.054 1.190 -3.295 335 1HG1 ILE 40 2HG1 ILE 40 -3.029 -0.497 -1.739 336 2HG1 ILE 40 1HG1 ILE 40 -1.288 -0.455 -1.479 337 1HG2 ILE 40 1HG2 ILE 40 -4.015 0.794 -3.703 338 2HG2 ILE 40 2HG2 ILE 40 -2.933 1.740 -4.726 339 3HG2 ILE 40 3HG2 ILE 40 -3.246 2.248 -3.067 340 1HD1 ILE 40 1HD1 ILE 40 -3.190 1.847 -1.097 341 2HD1 ILE 40 2HD1 ILE 40 -1.444 1.897 -0.838 342 3HD1 ILE 40 3HD1 ILE 40 -2.460 0.872 0.177 343 H ASP 41 H ASP 41 -3.112 -1.103 -6.235 344 HA ASP 41 HA ASP 41 -1.092 -0.048 -8.070 345 1HB ASP 41 2HB ASP 41 -2.080 -2.327 -8.446 346 2HB ASP 41 1HB ASP 41 -3.637 -1.555 -8.712 347 H ASP 42 H ASP 42 -1.326 2.113 -7.890 348 HA ASP 42 HA ASP 42 -2.198 4.196 -8.017 349 1HB ASP 42 2HB ASP 42 -2.050 3.490 -10.417 350 2HB ASP 42 1HB ASP 42 -3.760 3.077 -10.344 351 H GLY 43 H GLY 43 -3.317 3.735 -5.968 352 1HA GLY 43 2HA GLY 43 -5.121 4.490 -4.731 353 2HA GLY 43 1HA GLY 43 -6.003 4.749 -6.228 354 H ILE 44 H ILE 44 -5.085 1.680 -6.615 355 HA ILE 44 HA ILE 44 -7.455 0.667 -5.181 356 HB ILE 44 HB ILE 44 -6.349 -0.309 -7.825 357 1HG1 ILE 44 2HG1 ILE 44 -8.899 1.185 -7.152 358 2HG1 ILE 44 1HG1 ILE 44 -7.511 1.852 -8.002 359 1HG2 ILE 44 1HG2 ILE 44 -8.335 -1.757 -7.880 360 2HG2 ILE 44 2HG2 ILE 44 -8.770 -1.210 -6.260 361 3HG2 ILE 44 3HG2 ILE 44 -7.289 -2.135 -6.510 362 1HD1 ILE 44 1HD1 ILE 44 -7.896 0.304 -9.845 363 2HD1 ILE 44 2HD1 ILE 44 -9.314 1.305 -9.530 364 3HD1 ILE 44 3HD1 ILE 44 -9.280 -0.371 -8.986 365 HA PRO 45 HA PRO 45 -4.163 -1.686 -3.190 366 1HB PRO 45 2HB PRO 45 -5.711 -2.549 -1.124 367 2HB PRO 45 1HB PRO 45 -4.962 -0.951 -1.170 368 1HG PRO 45 2HG PRO 45 -7.771 -1.748 -1.800 369 2HG PRO 45 1HG PRO 45 -7.181 -0.330 -0.912 370 1HD PRO 45 2HD PRO 45 -7.972 -0.219 -3.510 371 2HD PRO 45 1HD PRO 45 -6.716 0.838 -2.838 372 H VAL 46 H VAL 46 -3.619 -3.626 -3.940 373 HA VAL 46 HA VAL 46 -5.662 -5.505 -4.785 374 HB VAL 46 HB VAL 46 -2.651 -5.812 -4.851 375 1HG1 VAL 46 1HG1 VAL 46 -4.837 -7.322 -6.282 376 2HG1 VAL 46 2HG1 VAL 46 -3.828 -7.934 -4.971 377 3HG1 VAL 46 3HG1 VAL 46 -3.103 -7.542 -6.531 378 1HG2 VAL 46 1HG2 VAL 46 -4.522 -4.911 -7.040 379 2HG2 VAL 46 2HG2 VAL 46 -2.785 -5.168 -7.194 380 3HG2 VAL 46 3HG2 VAL 46 -3.398 -3.878 -6.161 381 H LEU 47 H LEU 47 -6.610 -6.133 -2.852 382 HA LEU 47 HA LEU 47 -4.965 -7.145 -0.703 383 1HB LEU 47 2HB LEU 47 -7.964 -6.985 -1.010 384 2HB LEU 47 1HB LEU 47 -7.144 -7.537 0.437 385 HG LEU 47 HG LEU 47 -6.961 -4.761 -0.738 386 1HD1 LEU 47 1HD1 LEU 47 -9.143 -5.219 0.245 387 2HD1 LEU 47 2HD1 LEU 47 -8.226 -4.097 1.253 388 3HD1 LEU 47 3HD1 LEU 47 -8.370 -5.792 1.723 389 1HD2 LEU 47 1HD2 LEU 47 -5.811 -5.907 1.803 390 2HD2 LEU 47 2HD2 LEU 47 -5.771 -4.208 1.328 391 3HD2 LEU 47 3HD2 LEU 47 -4.897 -5.411 0.379 392 H LEU 48 H LEU 48 -4.094 -8.785 -2.277 393 HA LEU 48 HA LEU 48 -5.770 -11.204 -2.152 394 1HB LEU 48 2HB LEU 48 -3.741 -10.425 -4.250 395 2HB LEU 48 1HB LEU 48 -4.485 -12.010 -4.137 396 HG LEU 48 HG LEU 48 -5.950 -9.419 -4.652 397 1HD1 LEU 48 1HD1 LEU 48 -4.611 -10.102 -6.556 398 2HD1 LEU 48 2HD1 LEU 48 -6.325 -10.362 -6.882 399 3HD1 LEU 48 3HD1 LEU 48 -5.291 -11.728 -6.470 400 1HD2 LEU 48 1HD2 LEU 48 -7.891 -10.836 -5.056 401 2HD2 LEU 48 2HD2 LEU 48 -7.305 -11.023 -3.399 402 3HD2 LEU 48 3HD2 LEU 48 -6.955 -12.262 -4.608 403 H ILE 49 H ILE 49 -5.027 -12.695 -0.861 404 HA ILE 49 HA ILE 49 -2.722 -12.416 0.692 405 HB ILE 49 HB ILE 49 -4.138 -15.022 0.110 406 1HG1 ILE 49 2HG1 ILE 49 -4.776 -13.003 2.272 407 2HG1 ILE 49 1HG1 ILE 49 -5.696 -13.179 0.780 408 1HG2 ILE 49 1HG2 ILE 49 -2.035 -15.277 1.296 409 2HG2 ILE 49 2HG2 ILE 49 -3.391 -15.627 2.368 410 3HG2 ILE 49 3HG2 ILE 49 -2.547 -14.083 2.489 411 1HD1 ILE 49 1HD1 ILE 49 -5.347 -15.292 2.895 412 2HD1 ILE 49 2HD1 ILE 49 -6.277 -15.463 1.407 413 3HD1 ILE 49 3HD1 ILE 49 -6.786 -14.305 2.636 414 H ASP 50 H ASP 50 -3.295 -14.266 -2.244 415 HA ASP 50 HA ASP 50 -0.827 -15.685 -2.199 416 1HB ASP 50 2HB ASP 50 -2.898 -16.408 -3.412 417 2HB ASP 50 1HB ASP 50 -2.613 -15.113 -4.569 418 H GLU 51 H GLU 51 -1.548 -12.467 -2.905 419 HA GLU 51 HA GLU 51 0.770 -12.174 -4.685 420 1HB GLU 51 2HB GLU 51 -1.794 -11.020 -4.711 421 2HB GLU 51 1HB GLU 51 -0.705 -9.730 -4.220 422 1HG GLU 51 2HG GLU 51 -0.398 -11.425 -6.685 423 2HG GLU 51 1HG GLU 51 -1.053 -9.790 -6.640 424 H ALA 52 H ALA 52 0.045 -12.062 -1.474 425 HA ALA 52 HA ALA 52 1.320 -9.654 -0.663 426 1HB ALA 52 1HB ALA 52 -0.306 -10.819 0.750 427 2HB ALA 52 2HB ALA 52 1.232 -10.585 1.582 428 3HB ALA 52 3HB ALA 52 0.819 -12.168 0.921 429 H THR 53 H THR 53 3.388 -9.268 -1.029 430 HA THR 53 HA THR 53 5.302 -11.477 -1.028 431 HB THR 53 HB THR 53 5.391 -9.950 -2.936 432 HG1 THR 53 1HG THR 53 7.736 -9.171 -2.343 433 1HG2 THR 53 1HG2 THR 53 6.116 -7.824 -0.923 434 2HG2 THR 53 2HG2 THR 53 4.613 -7.904 -1.842 435 3HG2 THR 53 3HG2 THR 53 6.144 -7.637 -2.676 436 H GLU 54 H GLU 54 7.399 -11.109 0.022 437 HA GLU 54 HA GLU 54 6.975 -10.258 2.750 438 1HB GLU 54 2HB GLU 54 9.396 -11.411 1.350 439 2HB GLU 54 1HB GLU 54 9.352 -11.008 3.062 440 1HG GLU 54 2HG GLU 54 7.556 -12.615 3.403 441 2HG GLU 54 1HG GLU 54 7.575 -13.008 1.686 442 H TRP 55 H TRP 55 7.616 -8.397 3.652 443 HA TRP 55 HA TRP 55 9.096 -6.546 1.908 444 1HB TRP 55 2HB TRP 55 6.662 -5.998 2.283 445 2HB TRP 55 1HB TRP 55 7.047 -5.761 3.985 446 HD1 TRP 55 HD TRP 55 7.179 -3.246 4.476 447 HE1 TRP 55 1HE TRP 55 8.123 -1.165 3.272 448 HE3 TRP 55 3HE TRP 55 8.808 -5.470 0.169 449 HZ2 TRP 55 2HZ TRP 55 9.389 -0.559 0.827 450 HZ3 TRP 55 3HZ TRP 55 9.871 -4.070 -1.553 451 HH2 TRP 55 HH TRP 55 10.154 -1.663 -1.230 452 H THR 56 H THR 56 10.566 -5.132 2.867 453 HA THR 56 HA THR 56 11.908 -6.194 5.166 454 HB THR 56 HB THR 56 13.344 -4.055 4.759 455 HG1 THR 56 1HG THR 56 12.025 -2.891 3.394 456 1HG2 THR 56 1HG2 THR 56 13.175 -6.227 2.667 457 2HG2 THR 56 2HG2 THR 56 14.070 -6.322 4.185 458 3HG2 THR 56 3HG2 THR 56 14.557 -5.167 2.944 459 HA PRO 57 HA PRO 57 10.110 -3.635 8.313 460 1HB PRO 57 2HB PRO 57 12.774 -3.508 9.563 461 2HB PRO 57 1HB PRO 57 11.277 -4.212 10.181 462 1HG PRO 57 2HG PRO 57 13.330 -5.750 9.392 463 2HG PRO 57 1HG PRO 57 11.642 -6.237 9.142 464 1HD PRO 57 2HD PRO 57 13.584 -5.056 7.191 465 2HD PRO 57 1HD PRO 57 12.422 -6.380 6.960 466 H ASN 58 H ASN 58 10.689 -1.565 9.590 467 HA ASN 58 HA ASN 58 11.462 0.445 7.649 468 1HB ASN 58 2HB ASN 58 9.506 0.633 9.274 469 2HB ASN 58 1HB ASN 58 10.701 0.893 10.540 470 1HD2 ASN 58 1HD2 ASN 58 11.611 2.875 10.771 471 2HD2 ASN 58 2HD2 ASN 58 11.216 4.241 9.790 472 H ASN 59 H ASN 59 13.331 -1.517 9.137 473 HA ASN 59 HA ASN 59 15.401 0.469 9.757 474 1HB ASN 59 2HB ASN 59 14.431 -0.531 11.847 475 2HB ASN 59 1HB ASN 59 14.962 -2.111 11.284 476 1HD2 ASN 59 1HD2 ASN 59 15.989 1.033 12.372 477 2HD2 ASN 59 2HD2 ASN 59 17.582 0.560 12.852 478 H LEU 60 H LEU 60 17.219 0.139 8.601 479 HA LEU 60 HA LEU 60 17.216 -2.126 6.784 480 1HB LEU 60 2HB LEU 60 19.030 0.276 6.961 481 2HB LEU 60 1HB LEU 60 19.118 -0.949 5.710 482 HG LEU 60 HG LEU 60 16.787 0.907 6.204 483 1HD1 LEU 60 1HD1 LEU 60 18.718 2.030 5.216 484 2HD1 LEU 60 2HD1 LEU 60 17.401 1.880 4.051 485 3HD1 LEU 60 3HD1 LEU 60 18.792 0.800 3.955 486 1HD2 LEU 60 1HD2 LEU 60 17.199 -1.172 4.059 487 2HD2 LEU 60 2HD2 LEU 60 15.853 -0.037 4.157 488 3HD2 LEU 60 3HD2 LEU 60 16.052 -1.278 5.394 489 H GLU 61 H GLU 61 18.644 -3.749 6.717 490 HA GLU 61 HA GLU 61 19.965 -5.373 7.585 491 1HB GLU 61 2HB GLU 61 21.584 -2.940 8.355 492 2HB GLU 61 1HB GLU 61 22.143 -4.580 8.635 493 1HG GLU 61 2HG GLU 61 23.184 -3.945 6.663 494 2HG GLU 61 1HG GLU 61 21.824 -4.932 6.133 Start of MODEL 16 1 1H MET 1 1HT MET 1 -13.039 18.972 3.883 2 2H MET 1 2HT MET 1 -12.327 20.273 4.703 3 3H MET 1 3HT MET 1 -13.773 19.606 5.276 4 HA MET 1 HA MET 1 -11.921 18.884 6.629 5 1HB MET 1 2HB MET 1 -13.043 16.701 4.855 6 2HB MET 1 1HB MET 1 -12.249 16.433 6.401 7 1HG MET 1 2HG MET 1 -14.010 17.652 7.537 8 2HG MET 1 1HG MET 1 -14.787 17.997 5.995 9 1HE MET 1 1HE MET 1 -15.881 16.117 4.439 10 2HE MET 1 2HE MET 1 -15.864 14.397 4.832 11 3HE MET 1 3HE MET 1 -14.354 15.229 4.450 12 H SER 2 H SER 2 -9.868 18.011 6.809 13 HA SER 2 HA SER 2 -8.349 17.871 4.301 14 1HB SER 2 2HB SER 2 -6.350 18.083 5.819 15 2HB SER 2 1HB SER 2 -7.436 19.470 5.848 16 HG SER 2 HG SER 2 -7.390 19.154 7.924 17 H LEU 3 H LEU 3 -7.194 16.097 3.733 18 HA LEU 3 HA LEU 3 -6.584 13.923 3.576 19 1HB LEU 3 2HB LEU 3 -5.553 14.181 5.777 20 2HB LEU 3 1HB LEU 3 -7.092 13.861 6.555 21 HG LEU 3 HG LEU 3 -7.058 11.575 5.567 22 1HD1 LEU 3 1HD1 LEU 3 -4.930 10.710 4.702 23 2HD1 LEU 3 2HD1 LEU 3 -4.253 12.336 4.770 24 3HD1 LEU 3 3HD1 LEU 3 -5.590 11.986 3.676 25 1HD2 LEU 3 1HD2 LEU 3 -4.709 12.305 7.309 26 2HD2 LEU 3 2HD2 LEU 3 -5.379 10.684 7.112 27 3HD2 LEU 3 3HD2 LEU 3 -6.348 11.954 7.862 28 H ASP 4 H ASP 4 -7.905 12.660 2.468 29 HA ASP 4 HA ASP 4 -10.612 12.233 3.534 30 1HB ASP 4 2HB ASP 4 -10.578 13.407 1.382 31 2HB ASP 4 1HB ASP 4 -9.697 12.061 0.660 32 HA PRO 5 HA PRO 5 -8.896 8.003 3.802 33 1HB PRO 5 2HB PRO 5 -10.335 7.280 5.971 34 2HB PRO 5 1HB PRO 5 -8.827 8.192 6.101 35 1HG PRO 5 2HG PRO 5 -11.651 9.167 6.236 36 2HG PRO 5 1HG PRO 5 -10.259 9.626 7.234 37 1HD PRO 5 2HD PRO 5 -11.167 11.132 5.148 38 2HD PRO 5 1HD PRO 5 -9.473 11.112 5.671 39 H GLN 6 H GLN 6 -11.671 9.390 2.799 40 HA GLN 6 HA GLN 6 -13.524 7.215 2.934 41 1HB GLN 6 2HB GLN 6 -14.269 9.550 2.793 42 2HB GLN 6 1HB GLN 6 -13.510 9.706 1.216 43 1HG GLN 6 2HG GLN 6 -15.315 7.487 1.195 44 2HG GLN 6 1HG GLN 6 -16.137 8.920 1.809 45 1HE2 GLN 6 1HE2 GLN 6 -16.350 10.723 0.476 46 2HE2 GLN 6 2HE2 GLN 6 -16.136 10.628 -1.236 47 H LEU 7 H LEU 7 -11.257 8.463 0.538 48 HA LEU 7 HA LEU 7 -12.020 6.572 -1.484 49 1HB LEU 7 2HB LEU 7 -9.601 8.356 -1.223 50 2HB LEU 7 1HB LEU 7 -9.963 7.385 -2.637 51 HG LEU 7 HG LEU 7 -11.678 9.632 -1.573 52 1HD1 LEU 7 1HD1 LEU 7 -10.959 10.829 -3.581 53 2HD1 LEU 7 2HD1 LEU 7 -9.882 9.494 -3.991 54 3HD1 LEU 7 3HD1 LEU 7 -9.594 10.445 -2.532 55 1HD2 LEU 7 1HD2 LEU 7 -11.939 7.930 -4.046 56 2HD2 LEU 7 2HD2 LEU 7 -12.911 9.354 -3.684 57 3HD2 LEU 7 3HD2 LEU 7 -13.019 7.927 -2.653 58 H LEU 8 H LEU 8 -10.583 6.037 1.364 59 HA LEU 8 HA LEU 8 -8.864 3.901 0.288 60 1HB LEU 8 2HB LEU 8 -8.471 5.494 2.825 61 2HB LEU 8 1HB LEU 8 -7.495 4.119 2.343 62 HG LEU 8 HG LEU 8 -7.699 6.727 0.833 63 1HD1 LEU 8 1HD1 LEU 8 -6.507 6.996 2.932 64 2HD1 LEU 8 2HD1 LEU 8 -5.387 7.071 1.572 65 3HD1 LEU 8 3HD1 LEU 8 -5.486 5.609 2.552 66 1HD2 LEU 8 1HD2 LEU 8 -5.867 5.854 -0.513 67 2HD2 LEU 8 2HD2 LEU 8 -7.283 4.810 -0.629 68 3HD2 LEU 8 3HD2 LEU 8 -5.918 4.334 0.381 69 H GLU 9 H GLU 9 -10.847 4.901 3.054 70 HA GLU 9 HA GLU 9 -12.156 3.782 4.508 71 1HB GLU 9 2HB GLU 9 -12.141 1.760 2.275 72 2HB GLU 9 1HB GLU 9 -13.081 1.543 3.746 73 1HG GLU 9 2HG GLU 9 -14.199 3.728 3.248 74 2HG GLU 9 1HG GLU 9 -13.375 3.719 1.690 75 H VAL 10 H VAL 10 -12.334 1.090 5.221 76 HA VAL 10 HA VAL 10 -9.761 0.784 6.568 77 HB VAL 10 HB VAL 10 -12.345 -0.720 7.018 78 1HG1 VAL 10 1HG1 VAL 10 -9.817 -0.615 8.661 79 2HG1 VAL 10 2HG1 VAL 10 -10.383 -1.990 7.713 80 3HG1 VAL 10 3HG1 VAL 10 -11.306 -1.446 9.114 81 1HG2 VAL 10 1HG2 VAL 10 -12.570 1.651 7.551 82 2HG2 VAL 10 2HG2 VAL 10 -11.137 1.565 8.572 83 3HG2 VAL 10 3HG2 VAL 10 -12.589 0.670 9.015 84 H LEU 11 H LEU 11 -8.292 -0.389 5.579 85 HA LEU 11 HA LEU 11 -9.127 -2.491 3.729 86 1HB LEU 11 2HB LEU 11 -6.419 -1.220 4.140 87 2HB LEU 11 1HB LEU 11 -6.819 -2.395 2.901 88 HG LEU 11 HG LEU 11 -8.031 0.360 3.124 89 1HD1 LEU 11 1HD1 LEU 11 -5.675 0.461 2.528 90 2HD1 LEU 11 2HD1 LEU 11 -6.696 0.904 1.161 91 3HD1 LEU 11 3HD1 LEU 11 -5.948 -0.692 1.222 92 1HD2 LEU 11 1HD2 LEU 11 -8.953 -0.101 0.920 93 2HD2 LEU 11 2HD2 LEU 11 -9.527 -1.279 2.102 94 3HD2 LEU 11 3HD2 LEU 11 -8.259 -1.723 0.956 95 H ALA 12 H ALA 12 -8.968 -4.557 4.244 96 HA ALA 12 HA ALA 12 -7.264 -5.301 6.524 97 1HB ALA 12 1HB ALA 12 -9.915 -6.512 5.733 98 2HB ALA 12 2HB ALA 12 -9.638 -5.436 7.104 99 3HB ALA 12 3HB ALA 12 -8.899 -7.039 7.076 100 H CYS 13 H CYS 13 -6.793 -7.719 6.498 101 HA CYS 13 HA CYS 13 -5.600 -8.295 3.915 102 1HB CYS 13 2HB CYS 13 -5.348 -9.848 6.493 103 2HB CYS 13 1HB CYS 13 -4.280 -9.923 5.093 104 HG CYS 13 HG CYS 13 -4.659 -7.071 6.949 105 HA PRO 14 HA PRO 14 -8.658 -11.325 2.796 106 1HB PRO 14 2HB PRO 14 -7.245 -12.709 0.951 107 2HB PRO 14 1HB PRO 14 -7.876 -11.087 0.648 108 1HG PRO 14 2HG PRO 14 -5.110 -11.925 1.442 109 2HG PRO 14 1HG PRO 14 -5.613 -10.743 0.218 110 1HD PRO 14 2HD PRO 14 -4.771 -10.021 2.689 111 2HD PRO 14 1HD PRO 14 -5.985 -9.096 1.784 112 H LYS 15 H LYS 15 -5.805 -12.033 4.449 113 HA LYS 15 HA LYS 15 -6.265 -14.906 4.533 114 1HB LYS 15 2HB LYS 15 -4.071 -13.130 5.566 115 2HB LYS 15 1HB LYS 15 -4.215 -14.799 6.099 116 1HG LYS 15 2HG LYS 15 -3.992 -15.573 3.810 117 2HG LYS 15 1HG LYS 15 -3.900 -13.903 3.242 118 1HD LYS 15 2HD LYS 15 -1.829 -13.552 4.372 119 2HD LYS 15 1HD LYS 15 -1.963 -15.090 5.222 120 1HE LYS 15 2HE LYS 15 -1.768 -14.866 2.226 121 2HE LYS 15 1HE LYS 15 -0.362 -15.044 3.275 122 1HZ LYS 15 1HZ LYS 15 -1.064 -17.176 2.404 123 2HZ LYS 15 2HZ LYS 15 -2.617 -16.970 3.054 124 3HZ LYS 15 3HZ LYS 15 -1.290 -17.135 4.086 125 H ASP 16 H ASP 16 -5.592 -12.505 7.098 126 HA ASP 16 HA ASP 16 -7.534 -13.953 8.779 127 1HB ASP 16 2HB ASP 16 -5.118 -14.302 9.396 128 2HB ASP 16 1HB ASP 16 -5.014 -12.581 9.747 129 H LYS 17 H LYS 17 -7.459 -11.360 7.070 130 HA LYS 17 HA LYS 17 -8.221 -9.226 7.122 131 1HB LYS 17 2HB LYS 17 -9.982 -10.583 9.145 132 2HB LYS 17 1HB LYS 17 -10.233 -8.905 8.671 133 1HG LYS 17 2HG LYS 17 -10.402 -9.666 6.308 134 2HG LYS 17 1HG LYS 17 -10.324 -11.330 6.887 135 1HD LYS 17 2HD LYS 17 -12.372 -11.071 8.098 136 2HD LYS 17 1HD LYS 17 -12.405 -9.336 7.770 137 1HE LYS 17 2HE LYS 17 -12.627 -9.803 5.373 138 2HE LYS 17 1HE LYS 17 -12.614 -11.533 5.711 139 1HZ LYS 17 1HZ LYS 17 -14.857 -10.609 5.378 140 2HZ LYS 17 2HZ LYS 17 -14.653 -9.641 6.757 141 3HZ LYS 17 3HZ LYS 17 -14.663 -11.331 6.903 142 H GLY 18 H GLY 18 -5.908 -9.692 8.703 143 1HA GLY 18 2HA GLY 18 -6.106 -8.176 11.128 144 2HA GLY 18 1HA GLY 18 -4.622 -8.709 10.345 145 HA PRO 19 HA PRO 19 -5.571 -4.069 9.744 146 1HB PRO 19 2HB PRO 19 -3.328 -3.558 11.557 147 2HB PRO 19 1HB PRO 19 -4.974 -2.924 11.610 148 1HG PRO 19 2HG PRO 19 -4.063 -4.712 13.412 149 2HG PRO 19 1HG PRO 19 -5.753 -4.679 12.880 150 1HD PRO 19 2HD PRO 19 -3.532 -6.501 12.034 151 2HD PRO 19 1HD PRO 19 -5.235 -6.880 12.374 152 H LEU 20 H LEU 20 -4.531 -2.874 8.261 153 HA LEU 20 HA LEU 20 -1.810 -3.681 7.468 154 1HB LEU 20 2HB LEU 20 -4.096 -2.569 5.838 155 2HB LEU 20 1HB LEU 20 -2.455 -2.685 5.235 156 HG LEU 20 HG LEU 20 -4.071 -5.063 6.156 157 1HD1 LEU 20 1HD1 LEU 20 -5.125 -4.030 4.212 158 2HD1 LEU 20 2HD1 LEU 20 -4.363 -5.562 3.778 159 3HD1 LEU 20 3HD1 LEU 20 -3.581 -4.037 3.361 160 1HD2 LEU 20 1HD2 LEU 20 -1.656 -5.364 6.274 161 2HD2 LEU 20 2HD2 LEU 20 -1.494 -4.816 4.604 162 3HD2 LEU 20 3HD2 LEU 20 -2.339 -6.324 4.960 163 H ARG 21 H ARG 21 -0.252 -2.166 7.615 164 HA ARG 21 HA ARG 21 -1.058 0.561 8.292 165 1HB ARG 21 2HB ARG 21 0.706 -0.688 9.624 166 2HB ARG 21 1HB ARG 21 1.752 -0.542 8.218 167 1HG ARG 21 2HG ARG 21 1.619 1.888 8.357 168 2HG ARG 21 1HG ARG 21 0.548 1.754 9.749 169 1HD ARG 21 2HD ARG 21 3.411 0.815 9.596 170 2HD ARG 21 1HD ARG 21 2.829 2.249 10.437 171 HE ARG 21 HE ARG 21 2.490 -0.538 11.277 172 1HH1 ARG 21 1HH1 ARG 21 1.829 2.870 11.890 173 2HH1 ARG 21 2HH1 ARG 21 1.475 2.612 13.571 174 1HH2 ARG 21 1HH2 ARG 21 2.042 -0.848 13.488 175 2HH2 ARG 21 2HH2 ARG 21 1.616 0.524 14.483 176 H TYR 22 H TYR 22 -0.741 2.281 6.985 177 HA TYR 22 HA TYR 22 -0.147 1.636 4.209 178 1HB TYR 22 2HB TYR 22 -2.222 2.754 4.486 179 2HB TYR 22 1HB TYR 22 -1.517 3.964 5.548 180 HD1 TYR 22 1HD TYR 22 -0.989 2.705 2.050 181 HD2 TYR 22 2HD TYR 22 -1.270 6.054 4.660 182 HE1 TYR 22 1HE TYR 22 -0.698 4.222 0.133 183 HE2 TYR 22 2HE TYR 22 -0.973 7.575 2.756 184 HH TYR 22 HH TYR 22 -0.201 7.654 0.560 185 H LEU 23 H LEU 23 1.740 2.043 3.347 186 HA LEU 23 HA LEU 23 3.411 4.186 4.474 187 1HB LEU 23 2HB LEU 23 4.056 1.704 2.916 188 2HB LEU 23 1HB LEU 23 5.171 3.057 2.924 189 HG LEU 23 HG LEU 23 5.256 2.893 5.421 190 1HD1 LEU 23 1HD1 LEU 23 4.491 0.832 6.484 191 2HD1 LEU 23 2HD1 LEU 23 3.753 0.318 4.967 192 3HD1 LEU 23 3HD1 LEU 23 3.141 1.743 5.806 193 1HD2 LEU 23 1HD2 LEU 23 7.002 1.928 4.031 194 2HD2 LEU 23 2HD2 LEU 23 6.074 0.436 3.879 195 3HD2 LEU 23 3HD2 LEU 23 6.708 0.925 5.451 196 H GLU 24 H GLU 24 3.876 5.945 3.319 197 HA GLU 24 HA GLU 24 2.270 6.410 0.971 198 1HB GLU 24 2HB GLU 24 4.243 8.243 2.331 199 2HB GLU 24 1HB GLU 24 3.019 8.716 1.162 200 1HG GLU 24 2HG GLU 24 1.282 7.941 2.763 201 2HG GLU 24 1HG GLU 24 2.565 7.665 3.942 202 H SER 25 H SER 25 5.320 5.172 1.410 203 HA SER 25 HA SER 25 6.988 6.425 -0.370 204 1HB SER 25 2HB SER 25 6.850 3.437 0.050 205 2HB SER 25 1HB SER 25 8.263 4.381 -0.426 206 HG SER 25 HG SER 25 7.992 5.504 1.630 207 H GLU 26 H GLU 26 4.998 3.554 -1.169 208 HA GLU 26 HA GLU 26 4.746 4.594 -3.907 209 1HB GLU 26 2HB GLU 26 5.323 1.698 -3.239 210 2HB GLU 26 1HB GLU 26 5.053 2.356 -4.844 211 1HG GLU 26 2HG GLU 26 7.099 3.798 -4.430 212 2HG GLU 26 1HG GLU 26 7.413 2.755 -3.042 213 H GLN 27 H GLN 27 2.998 4.517 -1.532 214 HA GLN 27 HA GLN 27 0.948 3.896 -0.788 215 1HB GLN 27 2HB GLN 27 0.608 3.405 -3.744 216 2HB GLN 27 1HB GLN 27 -0.682 3.053 -2.607 217 1HG GLN 27 2HG GLN 27 -0.977 5.225 -3.669 218 2HG GLN 27 1HG GLN 27 -0.767 5.374 -1.928 219 1HE2 GLN 27 1HE2 GLN 27 0.984 6.439 -1.126 220 2HE2 GLN 27 2HE2 GLN 27 2.105 7.316 -2.109 221 H LEU 28 H LEU 28 2.064 2.270 0.411 222 HA LEU 28 HA LEU 28 1.638 -0.448 -0.641 223 1HB LEU 28 2HB LEU 28 3.902 0.530 1.101 224 2HB LEU 28 1HB LEU 28 3.635 -1.139 0.639 225 HG LEU 28 HG LEU 28 4.230 1.110 -1.283 226 1HD1 LEU 28 1HD1 LEU 28 5.996 -1.089 -0.216 227 2HD1 LEU 28 2HD1 LEU 28 6.143 0.635 0.131 228 3HD1 LEU 28 3HD1 LEU 28 6.425 0.037 -1.505 229 1HD2 LEU 28 1HD2 LEU 28 2.907 -0.661 -2.303 230 2HD2 LEU 28 2HD2 LEU 28 4.041 -1.872 -1.704 231 3HD2 LEU 28 3HD2 LEU 28 4.565 -0.696 -2.909 232 H LEU 29 H LEU 29 0.851 -1.971 0.734 233 HA LEU 29 HA LEU 29 0.020 -1.031 3.400 234 1HB LEU 29 2HB LEU 29 -1.140 -3.208 1.651 235 2HB LEU 29 1HB LEU 29 -1.663 -2.863 3.287 236 HG LEU 29 HG LEU 29 -1.847 -0.909 0.994 237 1HD1 LEU 29 1HD1 LEU 29 -3.956 -2.670 2.233 238 2HD1 LEU 29 2HD1 LEU 29 -3.315 -2.789 0.593 239 3HD1 LEU 29 3HD1 LEU 29 -4.259 -1.379 1.074 240 1HD2 LEU 29 1HD2 LEU 29 -3.290 0.348 2.517 241 2HD2 LEU 29 2HD2 LEU 29 -1.667 0.149 3.183 242 3HD2 LEU 29 3HD2 LEU 29 -2.994 -0.847 3.784 243 H VAL 30 H VAL 30 1.093 -1.887 5.055 244 HA VAL 30 HA VAL 30 2.539 -4.409 4.600 245 HB VAL 30 HB VAL 30 3.117 -2.241 6.630 246 1HG1 VAL 30 1HG1 VAL 30 5.144 -3.516 7.125 247 2HG1 VAL 30 2HG1 VAL 30 4.641 -4.769 5.993 248 3HG1 VAL 30 3HG1 VAL 30 3.700 -4.471 7.456 249 1HG2 VAL 30 1HG2 VAL 30 4.633 -3.059 4.151 250 2HG2 VAL 30 2HG2 VAL 30 5.109 -1.807 5.301 251 3HG2 VAL 30 3HG2 VAL 30 3.656 -1.600 4.320 252 H ASN 31 H ASN 31 1.753 -6.123 5.522 253 HA ASN 31 HA ASN 31 -0.237 -5.983 7.599 254 1HB ASN 31 2HB ASN 31 -0.487 -7.719 5.946 255 2HB ASN 31 1HB ASN 31 1.153 -8.297 6.225 256 1HD2 ASN 31 1HD2 ASN 31 -2.113 -8.276 7.402 257 2HD2 ASN 31 2HD2 ASN 31 -1.887 -9.497 8.605 258 H GLU 32 H GLU 32 0.225 -5.775 9.662 259 HA GLU 32 HA GLU 32 2.981 -6.111 10.544 260 1HB GLU 32 2HB GLU 32 1.451 -4.051 10.927 261 2HB GLU 32 1HB GLU 32 0.718 -5.019 12.197 262 1HG GLU 32 2HG GLU 32 2.710 -5.080 13.441 263 2HG GLU 32 1HG GLU 32 3.668 -4.484 12.085 264 H ARG 33 H ARG 33 1.154 -8.387 10.061 265 HA ARG 33 HA ARG 33 1.138 -9.583 12.758 266 1HB ARG 33 2HB ARG 33 -0.694 -9.835 10.419 267 2HB ARG 33 1HB ARG 33 -0.476 -11.234 11.459 268 1HG ARG 33 2HG ARG 33 -1.273 -8.536 12.506 269 2HG ARG 33 1HG ARG 33 -2.439 -9.755 11.979 270 1HD ARG 33 2HD ARG 33 -1.176 -11.330 13.583 271 2HD ARG 33 1HD ARG 33 -0.516 -9.850 14.278 272 HE ARG 33 HE ARG 33 -2.566 -9.386 15.210 273 1HH1 ARG 33 1HH1 ARG 33 -2.878 -12.001 12.886 274 2HH1 ARG 33 2HH1 ARG 33 -4.521 -12.371 13.319 275 1HH2 ARG 33 1HH2 ARG 33 -4.707 -9.920 15.837 276 2HH2 ARG 33 2HH2 ARG 33 -5.551 -11.206 15.029 277 H LEU 34 H LEU 34 1.339 -10.517 9.348 278 HA LEU 34 HA LEU 34 3.036 -12.802 10.061 279 1HB LEU 34 2HB LEU 34 1.714 -12.150 7.423 280 2HB LEU 34 1HB LEU 34 2.443 -13.675 7.889 281 HG LEU 34 HG LEU 34 0.060 -12.554 9.346 282 1HD1 LEU 34 1HD1 LEU 34 0.088 -14.335 6.914 283 2HD1 LEU 34 2HD1 LEU 34 -0.592 -12.711 7.030 284 3HD1 LEU 34 3HD1 LEU 34 -1.318 -14.040 7.934 285 1HD2 LEU 34 1HD2 LEU 34 -0.269 -14.893 9.963 286 2HD2 LEU 34 2HD2 LEU 34 1.324 -14.317 10.465 287 3HD2 LEU 34 3HD2 LEU 34 1.164 -15.343 9.038 288 H ASN 35 H ASN 35 3.261 -9.668 9.072 289 HA ASN 35 HA ASN 35 4.863 -8.335 8.207 290 1HB ASN 35 2HB ASN 35 6.341 -9.667 9.725 291 2HB ASN 35 1HB ASN 35 6.686 -10.747 8.377 292 1HD2 ASN 35 1HD2 ASN 35 8.052 -10.099 6.784 293 2HD2 ASN 35 2HD2 ASN 35 8.995 -8.653 6.862 294 H LEU 36 H LEU 36 3.338 -8.639 6.364 295 HA LEU 36 HA LEU 36 4.841 -9.494 3.993 296 1HB LEU 36 2HB LEU 36 1.928 -10.089 4.541 297 2HB LEU 36 1HB LEU 36 2.711 -10.324 2.993 298 HG LEU 36 HG LEU 36 3.444 -11.778 5.539 299 1HD1 LEU 36 1HD1 LEU 36 2.420 -13.720 4.471 300 2HD1 LEU 36 2HD1 LEU 36 1.927 -12.718 3.106 301 3HD1 LEU 36 3HD1 LEU 36 1.241 -12.428 4.705 302 1HD2 LEU 36 1HD2 LEU 36 4.797 -13.185 4.065 303 2HD2 LEU 36 2HD2 LEU 36 5.335 -11.505 4.017 304 3HD2 LEU 36 3HD2 LEU 36 4.373 -12.163 2.693 305 H ALA 37 H ALA 37 3.974 -8.446 1.987 306 HA ALA 37 HA ALA 37 2.835 -5.809 2.656 307 1HB ALA 37 1HB ALA 37 4.254 -4.822 0.927 308 2HB ALA 37 2HB ALA 37 4.983 -6.399 0.624 309 3HB ALA 37 3HB ALA 37 5.215 -5.604 2.181 310 H TYR 38 H TYR 38 1.251 -5.054 1.450 311 HA TYR 38 HA TYR 38 0.520 -6.501 -1.011 312 1HB TYR 38 2HB TYR 38 -1.237 -5.017 0.961 313 2HB TYR 38 1HB TYR 38 -1.793 -5.585 -0.607 314 HD1 TYR 38 1HD TYR 38 -1.098 -6.489 2.819 315 HD2 TYR 38 2HD TYR 38 -1.839 -8.043 -1.073 316 HE1 TYR 38 1HE TYR 38 -1.650 -8.673 3.803 317 HE2 TYR 38 2HE TYR 38 -2.396 -10.229 -0.097 318 HH TYR 38 HH TYR 38 -1.917 -11.496 1.962 319 H ARG 39 H ARG 39 -0.071 -5.245 -2.806 320 HA ARG 39 HA ARG 39 1.244 -2.623 -2.774 321 1HB ARG 39 2HB ARG 39 0.486 -4.277 -5.189 322 2HB ARG 39 1HB ARG 39 1.641 -2.950 -5.112 323 1HG ARG 39 2HG ARG 39 3.190 -4.260 -3.876 324 2HG ARG 39 1HG ARG 39 2.001 -5.537 -3.625 325 1HD ARG 39 2HD ARG 39 1.957 -5.757 -6.169 326 2HD ARG 39 1HD ARG 39 3.423 -4.775 -6.158 327 HE ARG 39 HE ARG 39 3.922 -6.769 -4.359 328 1HH1 ARG 39 1HH1 ARG 39 3.084 -6.654 -7.759 329 2HH1 ARG 39 2HH1 ARG 39 3.826 -8.182 -8.115 330 1HH2 ARG 39 1HH2 ARG 39 4.882 -8.784 -4.833 331 2HH2 ARG 39 2HH2 ARG 39 4.839 -9.383 -6.465 332 H ILE 40 H ILE 40 0.192 -0.778 -3.432 333 HA ILE 40 HA ILE 40 -2.680 -1.074 -4.008 334 HB ILE 40 HB ILE 40 -1.179 1.349 -2.994 335 1HG1 ILE 40 2HG1 ILE 40 -3.166 -0.470 -1.613 336 2HG1 ILE 40 1HG1 ILE 40 -1.430 -0.459 -1.326 337 1HG2 ILE 40 1HG2 ILE 40 -3.408 2.349 -2.708 338 2HG2 ILE 40 2HG2 ILE 40 -4.127 0.936 -3.485 339 3HG2 ILE 40 3HG2 ILE 40 -3.054 1.995 -4.401 340 1HD1 ILE 40 1HD1 ILE 40 -3.336 1.799 -0.776 341 2HD1 ILE 40 2HD1 ILE 40 -1.593 1.843 -0.515 342 3HD1 ILE 40 3HD1 ILE 40 -2.597 0.733 0.419 343 H ASP 41 H ASP 41 -3.331 -0.717 -6.025 344 HA ASP 41 HA ASP 41 -1.449 0.486 -7.908 345 1HB ASP 41 2HB ASP 41 -2.517 -1.686 -8.470 346 2HB ASP 41 1HB ASP 41 -4.088 -0.891 -8.456 347 H ASP 42 H ASP 42 -1.578 2.635 -7.501 348 HA ASP 42 HA ASP 42 -2.275 4.775 -7.769 349 1HB ASP 42 2HB ASP 42 -2.701 3.798 -10.065 350 2HB ASP 42 1HB ASP 42 -4.395 3.673 -9.606 351 H GLY 43 H GLY 43 -3.776 2.906 -5.823 352 1HA GLY 43 2HA GLY 43 -5.070 4.229 -4.112 353 2HA GLY 43 1HA GLY 43 -6.120 4.665 -5.451 354 H ILE 44 H ILE 44 -5.578 1.763 -6.411 355 HA ILE 44 HA ILE 44 -7.677 0.569 -4.734 356 HB ILE 44 HB ILE 44 -6.860 -0.094 -7.575 357 1HG1 ILE 44 2HG1 ILE 44 -9.356 0.494 -7.940 358 2HG1 ILE 44 1HG1 ILE 44 -9.255 1.277 -6.369 359 1HG2 ILE 44 1HG2 ILE 44 -8.729 -1.698 -7.555 360 2HG2 ILE 44 2HG2 ILE 44 -8.944 -1.392 -5.832 361 3HG2 ILE 44 3HG2 ILE 44 -7.454 -2.130 -6.415 362 1HD1 ILE 44 1HD1 ILE 44 -8.966 2.881 -8.149 363 2HD1 ILE 44 2HD1 ILE 44 -7.614 1.954 -8.797 364 3HD1 ILE 44 3HD1 ILE 44 -7.475 2.727 -7.219 365 HA PRO 45 HA PRO 45 -4.288 -1.881 -3.169 366 1HB PRO 45 2HB PRO 45 -6.410 -3.295 -1.709 367 2HB PRO 45 1HB PRO 45 -5.038 -2.378 -1.086 368 1HG PRO 45 2HG PRO 45 -7.558 -1.465 -0.903 369 2HG PRO 45 1HG PRO 45 -6.177 -0.377 -1.140 370 1HD PRO 45 2HD PRO 45 -8.173 -1.379 -3.134 371 2HD PRO 45 1HD PRO 45 -7.472 0.245 -2.955 372 H VAL 46 H VAL 46 -3.403 -3.567 -4.131 373 HA VAL 46 HA VAL 46 -5.039 -5.520 -5.524 374 HB VAL 46 HB VAL 46 -2.027 -5.406 -5.241 375 1HG1 VAL 46 1HG1 VAL 46 -3.786 -6.955 -7.140 376 2HG1 VAL 46 2HG1 VAL 46 -2.800 -7.620 -5.835 377 3HG1 VAL 46 3HG1 VAL 46 -2.024 -6.865 -7.229 378 1HG2 VAL 46 1HG2 VAL 46 -2.868 -3.401 -6.333 379 2HG2 VAL 46 2HG2 VAL 46 -3.790 -4.390 -7.465 380 3HG2 VAL 46 3HG2 VAL 46 -2.025 -4.428 -7.495 381 H LEU 47 H LEU 47 -6.080 -6.476 -3.762 382 HA LEU 47 HA LEU 47 -4.444 -7.742 -1.723 383 1HB LEU 47 2HB LEU 47 -7.445 -7.591 -2.019 384 2HB LEU 47 1HB LEU 47 -6.606 -8.324 -0.664 385 HG LEU 47 HG LEU 47 -6.473 -5.402 -1.427 386 1HD1 LEU 47 1HD1 LEU 47 -8.655 -6.063 -0.535 387 2HD1 LEU 47 2HD1 LEU 47 -7.778 -5.019 0.583 388 3HD1 LEU 47 3HD1 LEU 47 -7.866 -6.756 0.883 389 1HD2 LEU 47 1HD2 LEU 47 -5.302 -5.128 0.700 390 2HD2 LEU 47 2HD2 LEU 47 -4.412 -6.190 -0.391 391 3HD2 LEU 47 3HD2 LEU 47 -5.335 -6.873 0.946 392 H LEU 48 H LEU 48 -3.463 -9.195 -3.255 393 HA LEU 48 HA LEU 48 -5.163 -11.538 -3.777 394 1HB LEU 48 2HB LEU 48 -2.646 -10.678 -5.207 395 2HB LEU 48 1HB LEU 48 -3.534 -12.156 -5.528 396 HG LEU 48 HG LEU 48 -4.574 -9.352 -5.966 397 1HD1 LEU 48 1HD1 LEU 48 -2.832 -10.001 -7.556 398 2HD1 LEU 48 2HD1 LEU 48 -4.410 -9.889 -8.331 399 3HD1 LEU 48 3HD1 LEU 48 -3.731 -11.468 -7.941 400 1HD2 LEU 48 1HD2 LEU 48 -6.465 -10.449 -7.056 401 2HD2 LEU 48 2HD2 LEU 48 -6.354 -10.906 -5.357 402 3HD2 LEU 48 3HD2 LEU 48 -5.815 -12.028 -6.609 403 H ILE 49 H ILE 49 -4.470 -13.507 -3.052 404 HA ILE 49 HA ILE 49 -2.660 -13.444 -0.831 405 HB ILE 49 HB ILE 49 -3.954 -15.840 -2.155 406 1HG1 ILE 49 2HG1 ILE 49 -4.899 -14.190 0.204 407 2HG1 ILE 49 1HG1 ILE 49 -5.598 -14.144 -1.411 408 1HG2 ILE 49 1HG2 ILE 49 -2.775 -15.510 0.604 409 2HG2 ILE 49 2HG2 ILE 49 -2.072 -16.437 -0.723 410 3HG2 ILE 49 3HG2 ILE 49 -3.600 -16.947 -0.002 411 1HD1 ILE 49 1HD1 ILE 49 -5.530 -16.556 0.382 412 2HD1 ILE 49 2HD1 ILE 49 -6.294 -16.448 -1.203 413 3HD1 ILE 49 3HD1 ILE 49 -6.915 -15.492 0.142 414 H ASP 50 H ASP 50 -2.521 -14.503 -4.157 415 HA ASP 50 HA ASP 50 -0.041 -15.893 -3.926 416 1HB ASP 50 2HB ASP 50 -1.594 -16.426 -5.723 417 2HB ASP 50 1HB ASP 50 -1.484 -14.781 -6.343 418 H GLU 51 H GLU 51 -0.949 -12.580 -4.358 419 HA GLU 51 HA GLU 51 1.711 -11.810 -5.274 420 1HB GLU 51 2HB GLU 51 -0.847 -10.253 -4.909 421 2HB GLU 51 1HB GLU 51 0.681 -9.498 -5.345 422 1HG GLU 51 2HG GLU 51 -0.640 -11.678 -6.944 423 2HG GLU 51 1HG GLU 51 -0.831 -9.955 -7.259 424 H ALA 52 H ALA 52 0.453 -12.536 -2.380 425 HA ALA 52 HA ALA 52 1.225 -10.396 -0.718 426 1HB ALA 52 1HB ALA 52 1.204 -12.018 1.101 427 2HB ALA 52 2HB ALA 52 1.176 -13.345 -0.060 428 3HB ALA 52 3HB ALA 52 -0.199 -12.246 0.057 429 H THR 53 H THR 53 3.198 -9.538 -0.750 430 HA THR 53 HA THR 53 5.472 -11.265 -1.403 431 HB THR 53 HB THR 53 5.550 -8.261 -1.226 432 HG1 THR 53 1HG THR 53 3.920 -9.533 -2.798 433 1HG2 THR 53 1HG2 THR 53 7.690 -9.417 -1.420 434 2HG2 THR 53 2HG2 THR 53 7.338 -8.529 -2.903 435 3HG2 THR 53 3HG2 THR 53 7.112 -10.277 -2.846 436 H GLU 54 H GLU 54 7.325 -11.311 -0.127 437 HA GLU 54 HA GLU 54 6.878 -10.827 2.685 438 1HB GLU 54 2HB GLU 54 8.039 -12.870 1.796 439 2HB GLU 54 1HB GLU 54 9.373 -11.837 1.307 440 1HG GLU 54 2HG GLU 54 9.800 -11.236 3.609 441 2HG GLU 54 1HG GLU 54 8.409 -12.182 4.139 442 H TRP 55 H TRP 55 7.536 -9.070 3.766 443 HA TRP 55 HA TRP 55 9.156 -7.105 2.281 444 1HB TRP 55 2HB TRP 55 6.688 -6.610 2.642 445 2HB TRP 55 1HB TRP 55 7.042 -6.509 4.361 446 HD1 TRP 55 HD TRP 55 7.554 -4.156 5.209 447 HE1 TRP 55 1HE TRP 55 8.279 -1.927 4.146 448 HE3 TRP 55 3HE TRP 55 8.226 -5.730 0.395 449 HZ2 TRP 55 2HZ TRP 55 9.035 -0.963 1.608 450 HZ3 TRP 55 3HZ TRP 55 8.953 -4.092 -1.290 451 HH2 TRP 55 HH TRP 55 9.347 -1.758 -0.694 452 H THR 56 H THR 56 10.185 -5.449 3.821 453 HA THR 56 HA THR 56 11.687 -6.826 5.840 454 HB THR 56 HB THR 56 12.579 -4.447 6.249 455 HG1 THR 56 1HG THR 56 11.144 -3.096 5.343 456 1HG2 THR 56 1HG2 THR 56 13.771 -6.139 4.921 457 2HG2 THR 56 2HG2 THR 56 13.983 -4.521 4.252 458 3HG2 THR 56 3HG2 THR 56 12.861 -5.648 3.491 459 HA PRO 57 HA PRO 57 9.085 -6.164 9.301 460 1HB PRO 57 2HB PRO 57 10.940 -5.563 11.244 461 2HB PRO 57 1HB PRO 57 10.566 -7.199 10.694 462 1HG PRO 57 2HG PRO 57 12.825 -5.404 9.915 463 2HG PRO 57 1HG PRO 57 12.835 -7.151 10.214 464 1HD PRO 57 2HD PRO 57 12.849 -6.142 7.726 465 2HD PRO 57 1HD PRO 57 11.980 -7.640 8.118 466 H ASN 58 H ASN 58 7.863 -4.495 9.888 467 HA ASN 58 HA ASN 58 8.548 -1.804 9.369 468 1HB ASN 58 2HB ASN 58 6.210 -2.557 9.445 469 2HB ASN 58 1HB ASN 58 6.369 -2.927 11.157 470 1HD2 ASN 58 1HD2 ASN 58 4.724 -1.511 11.753 471 2HD2 ASN 58 2HD2 ASN 58 4.933 0.206 11.702 472 H ASN 59 H ASN 59 9.841 -0.510 10.493 473 HA ASN 59 HA ASN 59 10.898 -1.402 13.007 474 1HB ASN 59 2HB ASN 59 12.336 0.595 12.906 475 2HB ASN 59 1HB ASN 59 12.403 -0.329 11.413 476 1HD2 ASN 59 1HD2 ASN 59 11.588 0.564 9.528 477 2HD2 ASN 59 2HD2 ASN 59 11.160 2.240 9.408 478 H LEU 60 H LEU 60 9.962 -1.083 14.862 479 HA LEU 60 HA LEU 60 8.333 1.337 15.234 480 1HB LEU 60 2HB LEU 60 8.149 -1.338 16.632 481 2HB LEU 60 1HB LEU 60 7.227 0.083 17.086 482 HG LEU 60 HG LEU 60 7.035 -1.351 14.436 483 1HD1 LEU 60 1HD1 LEU 60 5.155 -1.259 16.791 484 2HD1 LEU 60 2HD1 LEU 60 6.077 -2.657 16.244 485 3HD1 LEU 60 3HD1 LEU 60 4.799 -1.991 15.229 486 1HD2 LEU 60 1HD2 LEU 60 5.442 0.965 15.541 487 2HD2 LEU 60 2HD2 LEU 60 5.132 0.131 14.019 488 3HD2 LEU 60 3HD2 LEU 60 6.619 1.054 14.232 489 H GLU 61 H GLU 61 9.388 2.831 16.321 490 HA GLU 61 HA GLU 61 11.750 2.286 17.805 491 1HB GLU 61 2HB GLU 61 10.811 4.479 16.606 492 2HB GLU 61 1HB GLU 61 10.220 4.812 18.226 493 1HG GLU 61 2HG GLU 61 13.095 4.214 17.583 494 2HG GLU 61 1HG GLU 61 12.421 5.839 17.659 Start of MODEL 17 1 1H MET 1 1HT MET 1 -2.331 19.442 7.620 2 2H MET 1 2HT MET 1 -0.970 19.189 6.637 3 3H MET 1 3HT MET 1 -1.005 18.570 8.216 4 HA MET 1 HA MET 1 -2.769 17.749 5.985 5 1HB MET 1 2HB MET 1 -1.566 15.632 6.031 6 2HB MET 1 1HB MET 1 -0.444 16.951 5.740 7 1HG MET 1 2HG MET 1 0.239 16.887 8.090 8 2HG MET 1 1HG MET 1 -0.880 15.553 8.368 9 1HE MET 1 1HE MET 1 2.206 15.431 9.130 10 2HE MET 1 2HE MET 1 2.617 13.807 8.574 11 3HE MET 1 3HE MET 1 1.084 14.096 9.396 12 H SER 2 H SER 2 -4.072 15.864 6.509 13 HA SER 2 HA SER 2 -4.656 15.621 9.379 14 1HB SER 2 2HB SER 2 -6.734 15.944 7.201 15 2HB SER 2 1HB SER 2 -7.051 15.734 8.925 16 HG SER 2 HG SER 2 -5.728 17.718 9.165 17 H LEU 3 H LEU 3 -4.331 13.561 9.903 18 HA LEU 3 HA LEU 3 -4.624 11.412 8.015 19 1HB LEU 3 2HB LEU 3 -3.045 11.546 10.051 20 2HB LEU 3 1HB LEU 3 -4.447 11.124 11.011 21 HG LEU 3 HG LEU 3 -2.915 9.209 10.449 22 1HD1 LEU 3 1HD1 LEU 3 -5.229 8.813 11.123 23 2HD1 LEU 3 2HD1 LEU 3 -4.699 7.635 9.923 24 3HD1 LEU 3 3HD1 LEU 3 -5.750 8.969 9.445 25 1HD2 LEU 3 1HD2 LEU 3 -4.022 9.635 7.676 26 2HD2 LEU 3 2HD2 LEU 3 -3.062 8.252 8.200 27 3HD2 LEU 3 3HD2 LEU 3 -2.347 9.863 8.175 28 H ASP 4 H ASP 4 -6.561 10.723 7.390 29 HA ASP 4 HA ASP 4 -8.811 10.972 9.263 30 1HB ASP 4 2HB ASP 4 -8.948 12.442 7.257 31 2HB ASP 4 1HB ASP 4 -8.952 11.000 6.244 32 HA PRO 5 HA PRO 5 -8.520 6.456 8.611 33 1HB PRO 5 2HB PRO 5 -9.359 5.775 11.078 34 2HB PRO 5 1HB PRO 5 -7.686 6.242 10.747 35 1HG PRO 5 2HG PRO 5 -9.913 7.873 11.906 36 2HG PRO 5 1HG PRO 5 -8.216 7.777 12.413 37 1HD PRO 5 2HD PRO 5 -9.197 9.800 10.878 38 2HD PRO 5 1HD PRO 5 -7.517 9.239 10.789 39 H GLN 6 H GLN 6 -10.918 8.638 8.624 40 HA GLN 6 HA GLN 6 -13.153 6.843 9.096 41 1HB GLN 6 2HB GLN 6 -13.292 9.610 7.900 42 2HB GLN 6 1HB GLN 6 -14.557 8.733 8.746 43 1HG GLN 6 2HG GLN 6 -13.278 8.925 10.828 44 2HG GLN 6 1HG GLN 6 -12.044 9.846 9.969 45 1HE2 GLN 6 1HE2 GLN 6 -12.575 11.938 9.180 46 2HE2 GLN 6 2HE2 GLN 6 -13.881 12.836 9.886 47 H LEU 7 H LEU 7 -11.836 8.741 6.399 48 HA LEU 7 HA LEU 7 -13.415 7.470 4.396 49 1HB LEU 7 2HB LEU 7 -10.805 8.968 4.143 50 2HB LEU 7 1HB LEU 7 -11.878 8.562 2.817 51 HG LEU 7 HG LEU 7 -12.594 10.391 5.109 52 1HD1 LEU 7 1HD1 LEU 7 -10.869 11.389 3.736 53 2HD1 LEU 7 2HD1 LEU 7 -12.415 12.185 3.438 54 3HD1 LEU 7 3HD1 LEU 7 -11.783 11.022 2.273 55 1HD2 LEU 7 1HD2 LEU 7 -14.528 9.274 4.160 56 2HD2 LEU 7 2HD2 LEU 7 -14.029 9.744 2.536 57 3HD2 LEU 7 3HD2 LEU 7 -14.518 10.976 3.701 58 H LEU 8 H LEU 8 -10.394 6.753 5.935 59 HA LEU 8 HA LEU 8 -9.608 4.781 3.969 60 1HB LEU 8 2HB LEU 8 -8.463 5.432 6.686 61 2HB LEU 8 1HB LEU 8 -7.747 4.321 5.534 62 HG LEU 8 HG LEU 8 -8.127 7.286 5.095 63 1HD1 LEU 8 1HD1 LEU 8 -6.431 6.844 6.764 64 2HD1 LEU 8 2HD1 LEU 8 -5.682 7.377 5.260 65 3HD1 LEU 8 3HD1 LEU 8 -5.658 5.670 5.699 66 1HD2 LEU 8 1HD2 LEU 8 -6.774 6.947 3.094 67 2HD2 LEU 8 2HD2 LEU 8 -8.256 5.995 3.021 68 3HD2 LEU 8 3HD2 LEU 8 -6.726 5.212 3.410 69 H GLU 9 H GLU 9 -11.107 4.896 7.117 70 HA GLU 9 HA GLU 9 -12.151 3.381 8.426 71 1HB GLU 9 2HB GLU 9 -13.200 2.880 6.093 72 2HB GLU 9 1HB GLU 9 -12.206 1.432 6.140 73 1HG GLU 9 2HG GLU 9 -13.302 0.743 8.215 74 2HG GLU 9 1HG GLU 9 -14.293 2.200 8.173 75 H VAL 10 H VAL 10 -11.984 0.582 8.545 76 HA VAL 10 HA VAL 10 -9.203 0.294 9.394 77 HB VAL 10 HB VAL 10 -11.563 -1.494 10.009 78 1HG1 VAL 10 1HG1 VAL 10 -10.132 -2.427 11.749 79 2HG1 VAL 10 2HG1 VAL 10 -8.808 -1.383 11.231 80 3HG1 VAL 10 3HG1 VAL 10 -9.412 -2.641 10.153 81 1HG2 VAL 10 1HG2 VAL 10 -10.276 0.653 11.693 82 2HG2 VAL 10 2HG2 VAL 10 -11.535 -0.460 12.230 83 3HG2 VAL 10 3HG2 VAL 10 -11.883 0.722 10.967 84 H LEU 11 H LEU 11 -7.936 -0.457 7.816 85 HA LEU 11 HA LEU 11 -8.934 -2.639 6.123 86 1HB LEU 11 2HB LEU 11 -6.473 -0.917 5.841 87 2HB LEU 11 1HB LEU 11 -6.958 -2.175 4.720 88 HG LEU 11 HG LEU 11 -8.509 0.356 5.298 89 1HD1 LEU 11 1HD1 LEU 11 -6.908 -0.484 2.888 90 2HD1 LEU 11 2HD1 LEU 11 -6.479 0.782 4.040 91 3HD1 LEU 11 3HD1 LEU 11 -7.899 0.969 3.012 92 1HD2 LEU 11 1HD2 LEU 11 -9.978 -1.521 4.758 93 2HD2 LEU 11 2HD2 LEU 11 -9.036 -1.847 3.303 94 3HD2 LEU 11 3HD2 LEU 11 -9.943 -0.340 3.448 95 H ALA 12 H ALA 12 -8.488 -4.623 6.782 96 HA ALA 12 HA ALA 12 -6.015 -5.038 8.337 97 1HB ALA 12 1HB ALA 12 -8.656 -6.456 8.676 98 2HB ALA 12 2HB ALA 12 -7.985 -5.234 9.754 99 3HB ALA 12 3HB ALA 12 -7.181 -6.793 9.583 100 H CYS 13 H CYS 13 -4.897 -6.954 8.039 101 HA CYS 13 HA CYS 13 -4.874 -8.068 5.447 102 1HB CYS 13 2HB CYS 13 -2.851 -8.055 6.734 103 2HB CYS 13 1HB CYS 13 -3.612 -8.930 8.054 104 HG CYS 13 HG CYS 13 -2.623 -10.155 5.021 105 HA PRO 14 HA PRO 14 -8.327 -10.840 5.906 106 1HB PRO 14 2HB PRO 14 -7.188 -12.258 3.589 107 2HB PRO 14 1HB PRO 14 -8.753 -11.455 3.757 108 1HG PRO 14 2HG PRO 14 -6.774 -10.425 2.250 109 2HG PRO 14 1HG PRO 14 -7.911 -9.397 3.142 110 1HD PRO 14 2HD PRO 14 -5.086 -10.119 3.798 111 2HD PRO 14 1HD PRO 14 -5.938 -8.577 4.016 112 H LYS 15 H LYS 15 -5.031 -11.757 5.987 113 HA LYS 15 HA LYS 15 -5.530 -14.572 6.362 114 1HB LYS 15 2HB LYS 15 -3.541 -13.992 5.186 115 2HB LYS 15 1HB LYS 15 -3.039 -12.883 6.449 116 1HG LYS 15 2HG LYS 15 -1.718 -14.928 6.457 117 2HG LYS 15 1HG LYS 15 -2.630 -14.737 7.955 118 1HD LYS 15 2HD LYS 15 -4.284 -16.332 7.180 119 2HD LYS 15 1HD LYS 15 -3.443 -16.480 5.633 120 1HE LYS 15 2HE LYS 15 -1.534 -17.463 6.687 121 2HE LYS 15 1HE LYS 15 -2.179 -17.117 8.292 122 1HZ LYS 15 1HZ LYS 15 -3.901 -18.706 7.971 123 2HZ LYS 15 2HZ LYS 15 -2.438 -19.456 7.572 124 3HZ LYS 15 3HZ LYS 15 -3.486 -18.937 6.343 125 H ASP 16 H ASP 16 -4.667 -11.811 8.435 126 HA ASP 16 HA ASP 16 -5.063 -13.605 10.735 127 1HB ASP 16 2HB ASP 16 -2.625 -13.174 10.240 128 2HB ASP 16 1HB ASP 16 -2.917 -11.487 10.659 129 H LYS 17 H LYS 17 -6.103 -10.884 9.225 130 HA LYS 17 HA LYS 17 -7.461 -9.166 9.785 131 1HB LYS 17 2HB LYS 17 -7.648 -10.666 12.397 132 2HB LYS 17 1HB LYS 17 -8.577 -9.214 12.045 133 1HG LYS 17 2HG LYS 17 -8.682 -11.727 10.394 134 2HG LYS 17 1HG LYS 17 -9.819 -11.332 11.684 135 1HD LYS 17 2HD LYS 17 -10.497 -9.321 10.495 136 2HD LYS 17 1HD LYS 17 -9.315 -9.652 9.229 137 1HE LYS 17 2HE LYS 17 -10.480 -11.615 8.550 138 2HE LYS 17 1HE LYS 17 -11.549 -11.536 9.949 139 1HZ LYS 17 1HZ LYS 17 -11.451 -9.524 7.762 140 2HZ LYS 17 2HZ LYS 17 -12.518 -9.523 9.080 141 3HZ LYS 17 3HZ LYS 17 -12.614 -10.751 7.912 142 H GLY 18 H GLY 18 -4.488 -9.309 10.499 143 1HA GLY 18 2HA GLY 18 -4.195 -7.345 12.576 144 2HA GLY 18 1HA GLY 18 -2.925 -7.936 11.512 145 HA PRO 19 HA PRO 19 -5.092 -3.750 10.190 146 1HB PRO 19 2HB PRO 19 -3.508 -1.964 11.574 147 2HB PRO 19 1HB PRO 19 -5.124 -2.470 12.073 148 1HG PRO 19 2HG PRO 19 -2.458 -3.442 13.005 149 2HG PRO 19 1HG PRO 19 -3.930 -3.133 13.943 150 1HD PRO 19 2HD PRO 19 -3.179 -5.621 13.269 151 2HD PRO 19 1HD PRO 19 -4.891 -5.152 13.335 152 H LEU 20 H LEU 20 -4.303 -2.959 8.354 153 HA LEU 20 HA LEU 20 -1.620 -3.662 7.565 154 1HB LEU 20 2HB LEU 20 -3.784 -2.137 6.112 155 2HB LEU 20 1HB LEU 20 -2.277 -2.678 5.396 156 HG LEU 20 HG LEU 20 -4.385 -4.511 6.535 157 1HD1 LEU 20 1HD1 LEU 20 -3.760 -3.809 3.673 158 2HD1 LEU 20 2HD1 LEU 20 -5.221 -3.369 4.560 159 3HD1 LEU 20 3HD1 LEU 20 -4.880 -5.064 4.205 160 1HD2 LEU 20 1HD2 LEU 20 -1.899 -5.068 4.929 161 2HD2 LEU 20 2HD2 LEU 20 -3.117 -6.260 5.384 162 3HD2 LEU 20 3HD2 LEU 20 -2.157 -5.461 6.629 163 H ARG 21 H ARG 21 0.111 -2.393 7.640 164 HA ARG 21 HA ARG 21 -0.164 0.296 8.684 165 1HB ARG 21 2HB ARG 21 1.595 -1.368 9.443 166 2HB ARG 21 1HB ARG 21 2.377 -1.138 7.886 167 1HG ARG 21 2HG ARG 21 2.777 1.179 8.372 168 2HG ARG 21 1HG ARG 21 1.842 1.064 9.864 169 1HD ARG 21 2HD ARG 21 3.480 -0.597 10.704 170 2HD ARG 21 1HD ARG 21 4.446 -0.335 9.251 171 HE ARG 21 HE ARG 21 4.184 2.163 10.213 172 1HH1 ARG 21 1HH1 ARG 21 5.242 -0.847 11.710 173 2HH1 ARG 21 2HH1 ARG 21 6.185 -0.042 12.924 174 1HH2 ARG 21 1HH2 ARG 21 5.443 3.198 11.831 175 2HH2 ARG 21 2HH2 ARG 21 6.285 2.239 13.012 176 H TYR 22 H TYR 22 -0.110 2.093 7.511 177 HA TYR 22 HA TYR 22 -0.012 1.850 4.624 178 1HB TYR 22 2HB TYR 22 -1.783 3.129 5.894 179 2HB TYR 22 1HB TYR 22 -0.546 4.306 6.311 180 HD1 TYR 22 1HD TYR 22 -3.026 3.378 3.949 181 HD2 TYR 22 2HD TYR 22 0.663 5.467 4.317 182 HE1 TYR 22 1HE TYR 22 -3.524 4.616 1.886 183 HE2 TYR 22 2HE TYR 22 0.171 6.707 2.253 184 HH TYR 22 HH TYR 22 -2.805 6.939 0.923 185 H LEU 23 H LEU 23 1.842 2.069 3.568 186 HA LEU 23 HA LEU 23 3.863 3.951 4.603 187 1HB LEU 23 2HB LEU 23 4.080 1.475 2.922 188 2HB LEU 23 1HB LEU 23 5.336 2.694 2.866 189 HG LEU 23 HG LEU 23 5.605 2.408 5.354 190 1HD1 LEU 23 1HD1 LEU 23 3.438 1.415 5.849 191 2HD1 LEU 23 2HD1 LEU 23 4.750 0.357 6.365 192 3HD1 LEU 23 3HD1 LEU 23 3.856 -0.002 4.889 193 1HD2 LEU 23 1HD2 LEU 23 6.890 0.339 5.142 194 2HD2 LEU 23 2HD2 LEU 23 7.137 1.400 3.755 195 3HD2 LEU 23 3HD2 LEU 23 6.081 -0.004 3.614 196 H GLU 24 H GLU 24 3.903 5.851 3.622 197 HA GLU 24 HA GLU 24 2.507 6.349 1.185 198 1HB GLU 24 2HB GLU 24 4.392 8.095 2.776 199 2HB GLU 24 1HB GLU 24 3.453 8.651 1.401 200 1HG GLU 24 2HG GLU 24 2.222 9.354 3.227 201 2HG GLU 24 1HG GLU 24 1.408 7.880 2.720 202 H SER 25 H SER 25 5.664 5.259 1.823 203 HA SER 25 HA SER 25 7.290 6.455 -0.015 204 1HB SER 25 2HB SER 25 7.234 3.501 0.637 205 2HB SER 25 1HB SER 25 8.605 4.395 -0.021 206 HG SER 25 HG SER 25 9.073 5.042 1.909 207 H GLU 26 H GLU 26 5.365 3.516 -0.652 208 HA GLU 26 HA GLU 26 5.175 4.371 -3.456 209 1HB GLU 26 2HB GLU 26 5.774 1.573 -2.472 210 2HB GLU 26 1HB GLU 26 5.359 1.970 -4.134 211 1HG GLU 26 2HG GLU 26 7.350 3.429 -4.242 212 2HG GLU 26 1HG GLU 26 7.777 2.914 -2.611 213 H GLN 27 H GLN 27 3.448 4.435 -1.014 214 HA GLN 27 HA GLN 27 1.342 4.020 -0.305 215 1HB GLN 27 2HB GLN 27 1.065 3.996 -3.279 216 2HB GLN 27 1HB GLN 27 -0.307 3.490 -2.305 217 1HG GLN 27 2HG GLN 27 -0.559 5.801 -2.806 218 2HG GLN 27 1HG GLN 27 -0.185 5.649 -1.096 219 1HE2 GLN 27 1HE2 GLN 27 2.214 5.348 -3.611 220 2HE2 GLN 27 2HE2 GLN 27 3.047 6.824 -3.270 221 H LEU 28 H LEU 28 2.206 2.143 0.737 222 HA LEU 28 HA LEU 28 1.239 -0.378 -0.440 223 1HB LEU 28 2HB LEU 28 3.660 0.017 1.326 224 2HB LEU 28 1HB LEU 28 3.094 -1.516 0.694 225 HG LEU 28 HG LEU 28 4.140 0.772 -0.975 226 1HD1 LEU 28 1HD1 LEU 28 5.873 -0.296 0.401 227 2HD1 LEU 28 2HD1 LEU 28 6.091 -0.635 -1.316 228 3HD1 LEU 28 3HD1 LEU 28 5.411 -1.869 -0.253 229 1HD2 LEU 28 1HD2 LEU 28 4.084 -0.820 -2.813 230 2HD2 LEU 28 2HD2 LEU 28 2.469 -0.614 -2.131 231 3HD2 LEU 28 3HD2 LEU 28 3.414 -2.055 -1.746 232 H LEU 29 H LEU 29 0.245 -1.829 0.925 233 HA LEU 29 HA LEU 29 -0.258 -0.894 3.676 234 1HB LEU 29 2HB LEU 29 -1.890 -2.752 1.929 235 2HB LEU 29 1HB LEU 29 -2.251 -2.390 3.605 236 HG LEU 29 HG LEU 29 -2.250 -0.381 1.353 237 1HD1 LEU 29 1HD1 LEU 29 -4.535 -1.661 2.845 238 2HD1 LEU 29 2HD1 LEU 29 -4.075 -1.990 1.174 239 3HD1 LEU 29 3HD1 LEU 29 -4.669 -0.393 1.627 240 1HD2 LEU 29 1HD2 LEU 29 -3.072 -0.120 4.242 241 2HD2 LEU 29 2HD2 LEU 29 -3.260 1.116 2.997 242 3HD2 LEU 29 3HD2 LEU 29 -1.647 0.605 3.498 243 H VAL 30 H VAL 30 1.047 -1.910 5.056 244 HA VAL 30 HA VAL 30 1.988 -4.602 4.325 245 HB VAL 30 HB VAL 30 3.323 -2.556 6.106 246 1HG1 VAL 30 1HG1 VAL 30 5.271 -4.050 5.994 247 2HG1 VAL 30 2HG1 VAL 30 4.301 -5.227 5.109 248 3HG1 VAL 30 3HG1 VAL 30 3.885 -4.816 6.772 249 1HG2 VAL 30 1HG2 VAL 30 4.016 -3.417 3.298 250 2HG2 VAL 30 2HG2 VAL 30 4.935 -2.289 4.293 251 3HG2 VAL 30 3HG2 VAL 30 3.309 -1.869 3.759 252 H ASN 31 H ASN 31 1.295 -6.248 5.524 253 HA ASN 31 HA ASN 31 0.212 -5.787 8.180 254 1HB ASN 31 2HB ASN 31 -0.915 -7.466 6.827 255 2HB ASN 31 1HB ASN 31 0.600 -8.331 6.576 256 1HD2 ASN 31 1HD2 ASN 31 -0.306 -10.213 7.436 257 2HD2 ASN 31 2HD2 ASN 31 -0.541 -10.414 9.136 258 H GLU 32 H GLU 32 1.512 -5.644 9.857 259 HA GLU 32 HA GLU 32 4.307 -6.263 9.486 260 1HB GLU 32 2HB GLU 32 3.408 -4.117 10.462 261 2HB GLU 32 1HB GLU 32 2.981 -5.035 11.899 262 1HG GLU 32 2HG GLU 32 5.233 -5.451 12.429 263 2HG GLU 32 1HG GLU 32 5.779 -4.963 10.825 264 H ARG 33 H ARG 33 1.638 -7.859 10.751 265 HA ARG 33 HA ARG 33 2.939 -9.293 12.851 266 1HB ARG 33 2HB ARG 33 0.420 -9.916 11.304 267 2HB ARG 33 1HB ARG 33 0.966 -10.804 12.720 268 1HG ARG 33 2HG ARG 33 0.775 -8.767 14.066 269 2HG ARG 33 1HG ARG 33 0.200 -7.891 12.644 270 1HD ARG 33 2HD ARG 33 -1.720 -9.392 12.487 271 2HD ARG 33 1HD ARG 33 -1.135 -10.297 13.882 272 HE ARG 33 HE ARG 33 -1.470 -7.556 14.529 273 1HH1 ARG 33 1HH1 ARG 33 -3.256 -10.522 13.976 274 2HH1 ARG 33 2HH1 ARG 33 -4.594 -10.048 14.993 275 1HH2 ARG 33 1HH2 ARG 33 -3.230 -6.927 15.873 276 2HH2 ARG 33 2HH2 ARG 33 -4.570 -8.013 16.071 277 H LEU 34 H LEU 34 2.474 -9.783 9.414 278 HA LEU 34 HA LEU 34 3.968 -12.316 9.614 279 1HB LEU 34 2HB LEU 34 2.019 -11.438 7.484 280 2HB LEU 34 1HB LEU 34 2.907 -12.949 7.488 281 HG LEU 34 HG LEU 34 0.825 -12.136 9.518 282 1HD1 LEU 34 1HD1 LEU 34 0.719 -14.192 7.320 283 2HD1 LEU 34 2HD1 LEU 34 -0.103 -12.632 7.308 284 3HD1 LEU 34 3HD1 LEU 34 -0.550 -13.856 8.498 285 1HD2 LEU 34 1HD2 LEU 34 2.590 -13.565 10.460 286 2HD2 LEU 34 2HD2 LEU 34 2.296 -14.750 9.184 287 3HD2 LEU 34 3HD2 LEU 34 1.037 -14.398 10.370 288 H ASN 35 H ASN 35 4.398 -9.193 8.889 289 HA ASN 35 HA ASN 35 5.887 -7.969 7.691 290 1HB ASN 35 2HB ASN 35 7.413 -9.682 8.801 291 2HB ASN 35 1HB ASN 35 7.406 -10.544 7.265 292 1HD2 ASN 35 1HD2 ASN 35 9.565 -10.255 6.877 293 2HD2 ASN 35 2HD2 ASN 35 10.242 -8.720 6.464 294 H LEU 36 H LEU 36 3.691 -8.694 6.277 295 HA LEU 36 HA LEU 36 4.726 -9.349 3.592 296 1HB LEU 36 2HB LEU 36 1.961 -9.859 4.708 297 2HB LEU 36 1HB LEU 36 2.460 -10.173 3.058 298 HG LEU 36 HG LEU 36 3.572 -11.551 5.504 299 1HD1 LEU 36 1HD1 LEU 36 2.363 -13.507 4.669 300 2HD1 LEU 36 2HD1 LEU 36 1.680 -12.534 3.366 301 3HD1 LEU 36 3HD1 LEU 36 1.258 -12.184 5.043 302 1HD2 LEU 36 1HD2 LEU 36 5.214 -11.372 3.709 303 2HD2 LEU 36 2HD2 LEU 36 4.048 -12.034 2.563 304 3HD2 LEU 36 3HD2 LEU 36 4.653 -13.035 3.883 305 H ALA 37 H ALA 37 3.968 -8.085 1.863 306 HA ALA 37 HA ALA 37 2.640 -5.594 2.719 307 1HB ALA 37 1HB ALA 37 5.028 -5.244 2.262 308 2HB ALA 37 2HB ALA 37 4.010 -4.386 1.105 309 3HB ALA 37 3HB ALA 37 4.802 -5.892 0.636 310 H TYR 38 H TYR 38 0.878 -5.082 1.717 311 HA TYR 38 HA TYR 38 0.150 -6.442 -0.781 312 1HB TYR 38 2HB TYR 38 -1.563 -4.907 1.196 313 2HB TYR 38 1HB TYR 38 -2.158 -5.714 -0.251 314 HD1 TYR 38 1HD TYR 38 -2.375 -8.124 -0.325 315 HD2 TYR 38 2HD TYR 38 -0.847 -6.195 3.141 316 HE1 TYR 38 1HE TYR 38 -2.667 -10.203 0.951 317 HE2 TYR 38 2HE TYR 38 -1.136 -8.269 4.431 318 HH TYR 38 HH TYR 38 -1.761 -11.264 2.963 319 H ARG 39 H ARG 39 -0.247 -5.252 -2.615 320 HA ARG 39 HA ARG 39 0.864 -2.554 -2.464 321 1HB ARG 39 2HB ARG 39 0.549 -4.470 -4.774 322 2HB ARG 39 1HB ARG 39 1.166 -2.833 -4.942 323 1HG ARG 39 2HG ARG 39 3.002 -3.404 -3.394 324 2HG ARG 39 1HG ARG 39 2.402 -5.063 -3.345 325 1HD ARG 39 2HD ARG 39 4.263 -4.778 -4.935 326 2HD ARG 39 1HD ARG 39 2.776 -5.305 -5.722 327 HE ARG 39 HE ARG 39 2.545 -2.723 -6.122 328 1HH1 ARG 39 1HH1 ARG 39 5.475 -4.640 -6.272 329 2HH1 ARG 39 2HH1 ARG 39 6.226 -3.629 -7.476 330 1HH2 ARG 39 1HH2 ARG 39 3.519 -1.412 -7.731 331 2HH2 ARG 39 2HH2 ARG 39 5.102 -1.817 -8.325 332 H ILE 40 H ILE 40 -0.172 -0.780 -3.101 333 HA ILE 40 HA ILE 40 -2.895 -1.072 -4.161 334 HB ILE 40 HB ILE 40 -1.524 1.400 -3.058 335 1HG1 ILE 40 2HG1 ILE 40 -3.643 -0.354 -1.795 336 2HG1 ILE 40 1HG1 ILE 40 -1.944 -0.323 -1.333 337 1HG2 ILE 40 1HG2 ILE 40 -3.242 1.924 -4.705 338 2HG2 ILE 40 2HG2 ILE 40 -3.756 2.398 -3.087 339 3HG2 ILE 40 3HG2 ILE 40 -4.404 0.932 -3.823 340 1HD1 ILE 40 1HD1 ILE 40 -2.169 1.983 -0.613 341 2HD1 ILE 40 2HD1 ILE 40 -3.346 0.953 0.203 342 3HD1 ILE 40 3HD1 ILE 40 -3.856 1.994 -1.128 343 H ASP 41 H ASP 41 -2.958 -1.047 -6.324 344 HA ASP 41 HA ASP 41 -0.830 0.340 -7.777 345 1HB ASP 41 2HB ASP 41 -1.364 -2.048 -8.333 346 2HB ASP 41 1HB ASP 41 -2.944 -1.512 -8.888 347 H ASP 42 H ASP 42 -1.313 2.396 -7.860 348 HA ASP 42 HA ASP 42 -2.406 4.357 -8.202 349 1HB ASP 42 2HB ASP 42 -1.865 3.384 -10.511 350 2HB ASP 42 1HB ASP 42 -3.583 3.008 -10.622 351 H GLY 43 H GLY 43 -3.802 3.234 -6.277 352 1HA GLY 43 2HA GLY 43 -5.835 4.079 -5.363 353 2HA GLY 43 1HA GLY 43 -6.520 4.092 -6.977 354 H ILE 44 H ILE 44 -5.234 1.223 -7.151 355 HA ILE 44 HA ILE 44 -7.577 -0.078 -5.928 356 HB ILE 44 HB ILE 44 -5.855 -1.056 -8.215 357 1HG1 ILE 44 2HG1 ILE 44 -8.688 0.019 -8.183 358 2HG1 ILE 44 1HG1 ILE 44 -7.277 0.862 -8.818 359 1HG2 ILE 44 1HG2 ILE 44 -8.356 -2.227 -6.997 360 2HG2 ILE 44 2HG2 ILE 44 -6.731 -2.908 -6.911 361 3HG2 ILE 44 3HG2 ILE 44 -7.565 -2.810 -8.462 362 1HD1 ILE 44 1HD1 ILE 44 -7.017 -0.884 -10.517 363 2HD1 ILE 44 2HD1 ILE 44 -8.589 -0.091 -10.611 364 3HD1 ILE 44 3HD1 ILE 44 -8.454 -1.697 -9.892 365 HA PRO 45 HA PRO 45 -4.389 -1.889 -3.315 366 1HB PRO 45 2HB PRO 45 -5.972 -2.405 -1.219 367 2HB PRO 45 1HB PRO 45 -5.439 -0.761 -1.590 368 1HG PRO 45 2HG PRO 45 -8.077 -2.059 -2.087 369 2HG PRO 45 1HG PRO 45 -7.717 -0.391 -1.611 370 1HD PRO 45 2HD PRO 45 -8.299 -1.252 -4.197 371 2HD PRO 45 1HD PRO 45 -7.521 0.283 -3.772 372 H VAL 46 H VAL 46 -3.736 -3.903 -3.771 373 HA VAL 46 HA VAL 46 -5.713 -6.032 -4.126 374 HB VAL 46 HB VAL 46 -2.719 -6.126 -4.565 375 1HG1 VAL 46 1HG1 VAL 46 -3.217 -8.139 -5.867 376 2HG1 VAL 46 2HG1 VAL 46 -4.917 -8.004 -5.418 377 3HG1 VAL 46 3HG1 VAL 46 -3.700 -8.314 -4.179 378 1HG2 VAL 46 1HG2 VAL 46 -3.764 -4.499 -6.059 379 2HG2 VAL 46 2HG2 VAL 46 -4.935 -5.716 -6.575 380 3HG2 VAL 46 3HG2 VAL 46 -3.224 -5.924 -6.949 381 H LEU 47 H LEU 47 -6.243 -7.221 -2.405 382 HA LEU 47 HA LEU 47 -4.317 -7.356 -0.182 383 1HB LEU 47 2HB LEU 47 -7.326 -7.537 -0.083 384 2HB LEU 47 1HB LEU 47 -6.253 -7.626 1.300 385 HG LEU 47 HG LEU 47 -6.663 -5.213 -0.470 386 1HD1 LEU 47 1HD1 LEU 47 -7.682 -4.222 1.508 387 2HD1 LEU 47 2HD1 LEU 47 -7.464 -5.735 2.388 388 3HD1 LEU 47 3HD1 LEU 47 -8.554 -5.670 1.003 389 1HD2 LEU 47 1HD2 LEU 47 -4.373 -5.316 0.331 390 2HD2 LEU 47 2HD2 LEU 47 -4.944 -5.576 1.979 391 3HD2 LEU 47 3HD2 LEU 47 -5.261 -4.043 1.168 392 H LEU 48 H LEU 48 -4.369 -9.127 -2.412 393 HA LEU 48 HA LEU 48 -5.537 -11.601 -1.421 394 1HB LEU 48 2HB LEU 48 -4.023 -10.960 -3.948 395 2HB LEU 48 1HB LEU 48 -4.618 -12.560 -3.541 396 HG LEU 48 HG LEU 48 -6.343 -10.113 -3.958 397 1HD1 LEU 48 1HD1 LEU 48 -5.335 -10.916 -6.035 398 2HD1 LEU 48 2HD1 LEU 48 -7.070 -11.228 -5.999 399 3HD1 LEU 48 3HD1 LEU 48 -5.932 -12.540 -5.696 400 1HD2 LEU 48 1HD2 LEU 48 -8.215 -11.673 -3.827 401 2HD2 LEU 48 2HD2 LEU 48 -7.285 -11.686 -2.328 402 3HD2 LEU 48 3HD2 LEU 48 -7.100 -12.997 -3.493 403 H ILE 49 H ILE 49 -4.448 -13.235 -0.523 404 HA ILE 49 HA ILE 49 -1.943 -12.847 0.635 405 HB ILE 49 HB ILE 49 -3.449 -15.413 0.111 406 1HG1 ILE 49 2HG1 ILE 49 -3.694 -15.284 2.656 407 2HG1 ILE 49 1HG1 ILE 49 -3.137 -13.622 2.520 408 1HG2 ILE 49 1HG2 ILE 49 -1.089 -15.945 0.263 409 2HG2 ILE 49 2HG2 ILE 49 -1.939 -16.502 1.704 410 3HG2 ILE 49 3HG2 ILE 49 -0.959 -15.038 1.770 411 1HD1 ILE 49 1HD1 ILE 49 -5.577 -13.808 2.665 412 2HD1 ILE 49 2HD1 ILE 49 -5.586 -14.746 1.172 413 3HD1 ILE 49 3HD1 ILE 49 -5.056 -13.064 1.154 414 H ASP 50 H ASP 50 -2.820 -14.703 -2.267 415 HA ASP 50 HA ASP 50 -0.240 -15.621 -2.893 416 1HB ASP 50 2HB ASP 50 -2.730 -15.211 -4.535 417 2HB ASP 50 1HB ASP 50 -1.237 -15.782 -5.268 418 H GLU 51 H GLU 51 -1.777 -12.561 -3.433 419 HA GLU 51 HA GLU 51 0.247 -11.738 -5.369 420 1HB GLU 51 2HB GLU 51 -2.330 -10.491 -4.438 421 2HB GLU 51 1HB GLU 51 -1.173 -9.620 -5.433 422 1HG GLU 51 2HG GLU 51 -2.491 -12.217 -6.190 423 2HG GLU 51 1HG GLU 51 -2.999 -10.618 -6.733 424 H ALA 52 H ALA 52 0.128 -11.916 -2.155 425 HA ALA 52 HA ALA 52 1.218 -9.287 -1.562 426 1HB ALA 52 1HB ALA 52 0.833 -11.669 0.250 427 2HB ALA 52 2HB ALA 52 -0.316 -10.347 0.038 428 3HB ALA 52 3HB ALA 52 1.268 -10.035 0.750 429 H THR 53 H THR 53 3.335 -8.894 -1.000 430 HA THR 53 HA THR 53 5.218 -11.119 -1.484 431 HB THR 53 HB THR 53 5.920 -8.203 -1.803 432 HG1 THR 53 1HG THR 53 4.274 -9.703 -3.373 433 1HG2 THR 53 1HG2 THR 53 7.666 -9.088 -3.270 434 2HG2 THR 53 2HG2 THR 53 7.066 -10.725 -3.008 435 3HG2 THR 53 3HG2 THR 53 7.766 -9.818 -1.667 436 H GLU 54 H GLU 54 7.049 -11.238 -0.081 437 HA GLU 54 HA GLU 54 6.550 -10.300 2.576 438 1HB GLU 54 2HB GLU 54 9.042 -11.627 1.488 439 2HB GLU 54 1HB GLU 54 8.598 -11.465 3.184 440 1HG GLU 54 2HG GLU 54 6.501 -12.782 2.578 441 2HG GLU 54 1HG GLU 54 7.333 -13.180 1.077 442 H TRP 55 H TRP 55 7.475 -8.608 3.646 443 HA TRP 55 HA TRP 55 8.706 -6.669 1.830 444 1HB TRP 55 2HB TRP 55 6.533 -6.106 2.900 445 2HB TRP 55 1HB TRP 55 7.318 -6.189 4.472 446 HD1 TRP 55 HD TRP 55 7.837 -3.855 5.359 447 HE1 TRP 55 1HE TRP 55 8.511 -1.592 4.336 448 HE3 TRP 55 3HE TRP 55 7.967 -5.185 0.422 449 HZ2 TRP 55 2HZ TRP 55 9.051 -0.516 1.794 450 HZ3 TRP 55 3HZ TRP 55 8.578 -3.475 -1.239 451 HH2 TRP 55 HH TRP 55 9.107 -1.192 -0.564 452 H THR 56 H THR 56 10.559 -5.577 2.319 453 HA THR 56 HA THR 56 12.061 -6.517 4.652 454 HB THR 56 HB THR 56 13.984 -5.353 3.344 455 HG1 THR 56 1HG THR 56 13.439 -4.592 1.458 456 1HG2 THR 56 1HG2 THR 56 14.393 -7.403 2.045 457 2HG2 THR 56 2HG2 THR 56 12.730 -7.909 2.336 458 3HG2 THR 56 3HG2 THR 56 13.854 -7.764 3.686 459 HA PRO 57 HA PRO 57 11.212 -2.658 6.709 460 1HB PRO 57 2HB PRO 57 13.645 -2.779 8.149 461 2HB PRO 57 1HB PRO 57 12.054 -3.303 8.697 462 1HG PRO 57 2HG PRO 57 14.290 -4.899 7.580 463 2HG PRO 57 1HG PRO 57 13.043 -5.366 8.750 464 1HD PRO 57 2HD PRO 57 12.986 -6.226 6.205 465 2HD PRO 57 1HD PRO 57 11.497 -5.851 7.097 466 H ASN 58 H ASN 58 11.925 -0.537 6.641 467 HA ASN 58 HA ASN 58 13.195 0.162 4.259 468 1HB ASN 58 2HB ASN 58 13.087 2.494 5.093 469 2HB ASN 58 1HB ASN 58 11.562 1.635 5.242 470 1HD2 ASN 58 1HD2 ASN 58 14.103 3.238 6.885 471 2HD2 ASN 58 2HD2 ASN 58 13.454 3.115 8.479 472 H ASN 59 H ASN 59 15.182 0.331 3.684 473 HA ASN 59 HA ASN 59 17.436 0.275 3.675 474 1HB ASN 59 2HB ASN 59 17.105 2.626 4.291 475 2HB ASN 59 1HB ASN 59 17.136 2.187 5.993 476 1HD2 ASN 59 1HD2 ASN 59 19.210 0.770 3.530 477 2HD2 ASN 59 2HD2 ASN 59 20.691 1.418 4.149 478 H LEU 60 H LEU 60 17.893 -1.806 4.165 479 HA LEU 60 HA LEU 60 18.319 -2.608 6.918 480 1HB LEU 60 2HB LEU 60 18.878 -4.027 4.309 481 2HB LEU 60 1HB LEU 60 19.130 -4.729 5.895 482 HG LEU 60 HG LEU 60 16.459 -3.840 4.805 483 1HD1 LEU 60 1HD1 LEU 60 17.316 -5.789 3.624 484 2HD1 LEU 60 2HD1 LEU 60 15.975 -6.237 4.677 485 3HD1 LEU 60 3HD1 LEU 60 17.631 -6.593 5.159 486 1HD2 LEU 60 1HD2 LEU 60 17.193 -5.332 7.323 487 2HD2 LEU 60 2HD2 LEU 60 15.555 -4.997 6.762 488 3HD2 LEU 60 3HD2 LEU 60 16.611 -3.669 7.240 489 H GLU 61 H GLU 61 20.307 -2.822 7.916 490 HA GLU 61 HA GLU 61 22.499 -1.398 6.672 491 1HB GLU 61 2HB GLU 61 23.652 -1.633 8.794 492 2HB GLU 61 1HB GLU 61 22.004 -1.101 9.089 493 1HG GLU 61 2HG GLU 61 22.651 -4.008 9.212 494 2HG GLU 61 1HG GLU 61 23.089 -2.957 10.556 Start of MODEL 18 1 1H MET 1 1HT MET 1 -11.399 18.150 12.135 2 2H MET 1 2HT MET 1 -10.877 18.487 10.557 3 3H MET 1 3HT MET 1 -9.754 18.023 11.744 4 HA MET 1 HA MET 1 -10.822 15.852 11.907 5 1HB MET 1 2HB MET 1 -12.389 16.861 9.521 6 2HB MET 1 1HB MET 1 -12.402 15.208 10.114 7 1HG MET 1 2HG MET 1 -13.393 15.942 12.204 8 2HG MET 1 1HG MET 1 -13.340 17.616 11.656 9 1HE MET 1 1HE MET 1 -15.882 17.559 8.660 10 2HE MET 1 2HE MET 1 -14.128 17.363 8.611 11 3HE MET 1 3HE MET 1 -14.853 18.579 9.664 12 H SER 2 H SER 2 -9.020 14.791 11.351 13 HA SER 2 HA SER 2 -7.503 15.715 9.072 14 1HB SER 2 2HB SER 2 -6.876 13.619 11.160 15 2HB SER 2 1HB SER 2 -5.760 14.160 9.908 16 HG SER 2 HG SER 2 -6.269 15.276 12.283 17 H LEU 3 H LEU 3 -7.544 14.881 7.150 18 HA LEU 3 HA LEU 3 -7.684 13.455 5.403 19 1HB LEU 3 2HB LEU 3 -7.263 11.447 7.598 20 2HB LEU 3 1HB LEU 3 -7.493 10.952 5.934 21 HG LEU 3 HG LEU 3 -5.491 12.380 5.339 22 1HD1 LEU 3 1HD1 LEU 3 -3.925 12.935 7.114 23 2HD1 LEU 3 2HD1 LEU 3 -5.084 12.380 8.323 24 3HD1 LEU 3 3HD1 LEU 3 -5.453 13.790 7.330 25 1HD2 LEU 3 1HD2 LEU 3 -5.053 10.087 7.239 26 2HD2 LEU 3 2HD2 LEU 3 -3.890 10.700 6.064 27 3HD2 LEU 3 3HD2 LEU 3 -5.388 9.951 5.513 28 H ASP 4 H ASP 4 -8.935 11.246 4.765 29 HA ASP 4 HA ASP 4 -11.685 11.530 5.757 30 1HB ASP 4 2HB ASP 4 -11.408 12.478 3.454 31 2HB ASP 4 1HB ASP 4 -10.947 10.869 2.899 32 HA PRO 5 HA PRO 5 -10.347 7.244 6.617 33 1HB PRO 5 2HB PRO 5 -12.538 7.428 8.572 34 2HB PRO 5 1HB PRO 5 -10.841 7.008 8.821 35 1HG PRO 5 2HG PRO 5 -11.835 9.355 9.653 36 2HG PRO 5 1HG PRO 5 -10.184 9.216 9.017 37 1HD PRO 5 2HD PRO 5 -12.659 10.219 7.663 38 2HD PRO 5 1HD PRO 5 -11.008 10.875 7.621 39 H GLN 6 H GLN 6 -13.047 8.501 5.130 40 HA GLN 6 HA GLN 6 -14.495 5.952 5.108 41 1HB GLN 6 2HB GLN 6 -15.458 8.480 5.201 42 2HB GLN 6 1HB GLN 6 -15.460 8.223 3.464 43 1HG GLN 6 2HG GLN 6 -16.827 6.453 5.480 44 2HG GLN 6 1HG GLN 6 -17.616 7.705 4.524 45 1HE2 GLN 6 1HE2 GLN 6 -16.262 4.522 4.531 46 2HE2 GLN 6 2HE2 GLN 6 -16.809 4.064 2.956 47 H LEU 7 H LEU 7 -12.701 8.150 3.014 48 HA LEU 7 HA LEU 7 -12.932 6.500 0.689 49 1HB LEU 7 2HB LEU 7 -10.944 8.651 1.418 50 2HB LEU 7 1HB LEU 7 -11.013 7.868 -0.150 51 HG LEU 7 HG LEU 7 -13.208 9.540 1.074 52 1HD1 LEU 7 1HD1 LEU 7 -11.265 10.857 0.397 53 2HD1 LEU 7 2HD1 LEU 7 -12.643 11.155 -0.660 54 3HD1 LEU 7 3HD1 LEU 7 -11.323 10.121 -1.204 55 1HD2 LEU 7 1HD2 LEU 7 -14.281 9.342 -1.110 56 2HD2 LEU 7 2HD2 LEU 7 -14.075 7.759 -0.359 57 3HD2 LEU 7 3HD2 LEU 7 -12.992 8.271 -1.654 58 H LEU 8 H LEU 8 -10.950 6.508 3.503 59 HA LEU 8 HA LEU 8 -9.045 4.621 2.336 60 1HB LEU 8 2HB LEU 8 -9.122 5.860 5.095 61 2HB LEU 8 1HB LEU 8 -7.831 4.858 4.459 62 HG LEU 8 HG LEU 8 -8.624 7.565 3.372 63 1HD1 LEU 8 1HD1 LEU 8 -6.226 6.737 5.002 64 2HD1 LEU 8 2HD1 LEU 8 -7.583 7.705 5.579 65 3HD1 LEU 8 3HD1 LEU 8 -6.521 8.339 4.322 66 1HD2 LEU 8 1HD2 LEU 8 -7.728 6.105 1.643 67 2HD2 LEU 8 2HD2 LEU 8 -6.338 5.725 2.659 68 3HD2 LEU 8 3HD2 LEU 8 -6.564 7.365 2.051 69 H GLU 9 H GLU 9 -11.355 4.840 5.002 70 HA GLU 9 HA GLU 9 -12.432 3.322 6.263 71 1HB GLU 9 2HB GLU 9 -11.946 1.548 3.871 72 2HB GLU 9 1HB GLU 9 -12.995 1.133 5.220 73 1HG GLU 9 2HG GLU 9 -14.297 3.212 4.717 74 2HG GLU 9 1HG GLU 9 -13.337 3.368 3.248 75 H VAL 10 H VAL 10 -12.108 0.593 6.636 76 HA VAL 10 HA VAL 10 -9.494 0.551 7.946 77 HB VAL 10 HB VAL 10 -11.850 -1.293 8.366 78 1HG1 VAL 10 1HG1 VAL 10 -10.675 -1.984 10.396 79 2HG1 VAL 10 2HG1 VAL 10 -9.329 -0.922 9.983 80 3HG1 VAL 10 3HG1 VAL 10 -9.705 -2.306 8.957 81 1HG2 VAL 10 1HG2 VAL 10 -10.940 1.064 10.014 82 2HG2 VAL 10 2HG2 VAL 10 -12.238 -0.054 10.437 83 3HG2 VAL 10 3HG2 VAL 10 -12.398 0.990 9.023 84 H LEU 11 H LEU 11 -7.967 -0.303 6.693 85 HA LEU 11 HA LEU 11 -8.640 -2.429 4.816 86 1HB LEU 11 2HB LEU 11 -6.098 -0.846 5.210 87 2HB LEU 11 1HB LEU 11 -6.328 -2.072 3.976 88 HG LEU 11 HG LEU 11 -7.891 0.505 4.193 89 1HD1 LEU 11 1HD1 LEU 11 -5.572 0.873 3.514 90 2HD1 LEU 11 2HD1 LEU 11 -6.693 1.175 2.186 91 3HD1 LEU 11 3HD1 LEU 11 -5.758 -0.321 2.228 92 1HD2 LEU 11 1HD2 LEU 11 -9.221 -1.301 3.237 93 2HD2 LEU 11 2HD2 LEU 11 -7.935 -1.649 2.079 94 3HD2 LEU 11 3HD2 LEU 11 -8.798 -0.112 2.006 95 H ALA 12 H ALA 12 -8.259 -4.488 5.224 96 HA ALA 12 HA ALA 12 -6.344 -5.184 7.346 97 1HB ALA 12 1HB ALA 12 -8.620 -5.363 8.208 98 2HB ALA 12 2HB ALA 12 -7.847 -6.946 8.103 99 3HB ALA 12 3HB ALA 12 -9.037 -6.461 6.891 100 H CYS 13 H CYS 13 -5.435 -7.289 7.188 101 HA CYS 13 HA CYS 13 -4.891 -8.099 4.471 102 1HB CYS 13 2HB CYS 13 -3.061 -8.027 6.059 103 2HB CYS 13 1HB CYS 13 -3.916 -9.103 7.157 104 HG CYS 13 HG CYS 13 -2.934 -10.117 4.035 105 HA PRO 14 HA PRO 14 -8.170 -11.138 4.478 106 1HB PRO 14 2HB PRO 14 -7.516 -12.363 2.141 107 2HB PRO 14 1HB PRO 14 -8.317 -10.789 2.215 108 1HG PRO 14 2HG PRO 14 -5.416 -11.421 1.804 109 2HG PRO 14 1HG PRO 14 -6.433 -10.237 0.961 110 1HD PRO 14 2HD PRO 14 -4.730 -9.531 2.932 111 2HD PRO 14 1HD PRO 14 -6.276 -8.697 2.668 112 H LYS 15 H LYS 15 -5.091 -11.702 5.325 113 HA LYS 15 HA LYS 15 -5.061 -14.583 5.046 114 1HB LYS 15 2HB LYS 15 -3.044 -12.874 5.114 115 2HB LYS 15 1HB LYS 15 -3.194 -13.099 6.851 116 1HG LYS 15 2HG LYS 15 -1.560 -14.624 6.122 117 2HG LYS 15 1HG LYS 15 -3.014 -15.575 6.430 118 1HD LYS 15 2HD LYS 15 -3.536 -15.578 4.046 119 2HD LYS 15 1HD LYS 15 -2.111 -14.588 3.722 120 1HE LYS 15 2HE LYS 15 -1.576 -16.858 3.200 121 2HE LYS 15 1HE LYS 15 -0.713 -16.419 4.671 122 1HZ LYS 15 1HZ LYS 15 -2.530 -17.505 5.933 123 2HZ LYS 15 2HZ LYS 15 -1.640 -18.570 4.959 124 3HZ LYS 15 3HZ LYS 15 -3.179 -18.056 4.464 125 H ASP 16 H ASP 16 -5.513 -12.173 7.612 126 HA ASP 16 HA ASP 16 -6.990 -14.123 9.179 127 1HB ASP 16 2HB ASP 16 -4.611 -14.433 9.869 128 2HB ASP 16 1HB ASP 16 -4.568 -12.745 10.366 129 H LYS 17 H LYS 17 -7.055 -11.279 7.851 130 HA LYS 17 HA LYS 17 -8.254 -9.381 8.135 131 1HB LYS 17 2HB LYS 17 -9.949 -11.041 8.986 132 2HB LYS 17 1HB LYS 17 -9.402 -10.674 10.614 133 1HG LYS 17 2HG LYS 17 -10.166 -8.413 10.431 134 2HG LYS 17 1HG LYS 17 -10.520 -8.622 8.713 135 1HD LYS 17 2HD LYS 17 -12.248 -10.237 9.232 136 2HD LYS 17 1HD LYS 17 -11.854 -10.147 10.949 137 1HE LYS 17 2HE LYS 17 -12.596 -7.869 11.059 138 2HE LYS 17 1HE LYS 17 -12.811 -7.806 9.308 139 1HZ LYS 17 1HZ LYS 17 -14.306 -9.702 11.032 140 2HZ LYS 17 2HZ LYS 17 -14.637 -9.268 9.424 141 3HZ LYS 17 3HZ LYS 17 -14.890 -8.153 10.674 142 H GLY 18 H GLY 18 -5.632 -9.688 9.262 143 1HA GLY 18 2HA GLY 18 -5.627 -8.056 11.665 144 2HA GLY 18 1HA GLY 18 -4.213 -8.683 10.824 145 HA PRO 19 HA PRO 19 -5.591 -4.139 9.732 146 1HB PRO 19 2HB PRO 19 -3.839 -2.757 11.330 147 2HB PRO 19 1HB PRO 19 -5.512 -3.114 11.769 148 1HG PRO 19 2HG PRO 19 -3.001 -4.531 12.564 149 2HG PRO 19 1HG PRO 19 -4.415 -4.118 13.550 150 1HD PRO 19 2HD PRO 19 -4.034 -6.599 12.603 151 2HD PRO 19 1HD PRO 19 -5.657 -5.894 12.738 152 H LEU 20 H LEU 20 -4.555 -3.042 8.155 153 HA LEU 20 HA LEU 20 -1.808 -3.845 7.525 154 1HB LEU 20 2HB LEU 20 -3.919 -2.455 5.871 155 2HB LEU 20 1HB LEU 20 -2.286 -2.770 5.316 156 HG LEU 20 HG LEU 20 -4.286 -4.895 6.093 157 1HD1 LEU 20 1HD1 LEU 20 -4.451 -5.360 3.726 158 2HD1 LEU 20 2HD1 LEU 20 -3.321 -4.054 3.366 159 3HD1 LEU 20 3HD1 LEU 20 -4.907 -3.686 4.046 160 1HD2 LEU 20 1HD2 LEU 20 -1.962 -5.559 6.466 161 2HD2 LEU 20 2HD2 LEU 20 -1.567 -5.110 4.806 162 3HD2 LEU 20 3HD2 LEU 20 -2.678 -6.443 5.118 163 H ARG 21 H ARG 21 -0.156 -2.475 7.686 164 HA ARG 21 HA ARG 21 -0.709 0.236 8.625 165 1HB ARG 21 2HB ARG 21 0.836 -1.263 9.902 166 2HB ARG 21 1HB ARG 21 1.914 -1.275 8.515 167 1HG ARG 21 2HG ARG 21 2.390 1.040 8.767 168 2HG ARG 21 1HG ARG 21 1.120 1.230 9.977 169 1HD ARG 21 2HD ARG 21 2.340 -0.232 11.507 170 2HD ARG 21 1HD ARG 21 3.587 -0.484 10.287 171 HE ARG 21 HE ARG 21 3.786 2.097 10.501 172 1HH1 ARG 21 1HH1 ARG 21 3.202 -0.164 13.129 173 2HH1 ARG 21 2HH1 ARG 21 4.043 0.813 14.304 174 1HH2 ARG 21 1HH2 ARG 21 4.867 3.370 12.042 175 2HH2 ARG 21 2HH2 ARG 21 4.962 2.842 13.694 176 H TYR 22 H TYR 22 -0.567 1.901 7.275 177 HA TYR 22 HA TYR 22 0.224 1.380 4.541 178 1HB TYR 22 2HB TYR 22 -1.868 2.596 5.072 179 2HB TYR 22 1HB TYR 22 -0.915 3.886 5.793 180 HD1 TYR 22 1HD TYR 22 0.007 5.606 4.454 181 HD2 TYR 22 2HD TYR 22 -1.661 2.155 2.609 182 HE1 TYR 22 1HE TYR 22 0.135 6.720 2.264 183 HE2 TYR 22 2HE TYR 22 -1.533 3.254 0.418 184 HH TYR 22 HH TYR 22 -1.432 5.488 -0.519 185 H LEU 23 H LEU 23 2.095 1.907 3.664 186 HA LEU 23 HA LEU 23 3.855 3.746 5.136 187 1HB LEU 23 2HB LEU 23 4.388 1.421 3.326 188 2HB LEU 23 1HB LEU 23 5.587 2.692 3.462 189 HG LEU 23 HG LEU 23 6.170 0.884 4.935 190 1HD1 LEU 23 1HD1 LEU 23 6.672 3.127 5.715 191 2HD1 LEU 23 2HD1 LEU 23 6.292 2.063 7.068 192 3HD1 LEU 23 3HD1 LEU 23 5.093 3.221 6.499 193 1HD2 LEU 23 1HD2 LEU 23 4.005 -0.150 5.241 194 2HD2 LEU 23 2HD2 LEU 23 3.444 1.240 6.168 195 3HD2 LEU 23 3HD2 LEU 23 4.727 0.214 6.809 196 H GLU 24 H GLU 24 3.738 5.745 4.389 197 HA GLU 24 HA GLU 24 3.033 6.522 1.771 198 1HB GLU 24 2HB GLU 24 4.305 7.872 4.110 199 2HB GLU 24 1HB GLU 24 4.368 8.676 2.549 200 1HG GLU 24 2HG GLU 24 1.775 7.682 3.665 201 2HG GLU 24 1HG GLU 24 2.446 9.239 4.156 202 H SER 25 H SER 25 5.850 5.126 2.947 203 HA SER 25 HA SER 25 7.853 6.343 1.423 204 1HB SER 25 2HB SER 25 7.830 3.431 2.198 205 2HB SER 25 1HB SER 25 9.209 4.528 2.092 206 HG SER 25 HG SER 25 8.797 5.257 4.035 207 H GLU 26 H GLU 26 5.820 3.492 0.725 208 HA GLU 26 HA GLU 26 6.704 3.647 -2.074 209 1HB GLU 26 2HB GLU 26 6.746 1.278 -0.245 210 2HB GLU 26 1HB GLU 26 6.501 1.041 -1.969 211 1HG GLU 26 2HG GLU 26 8.826 2.562 -0.836 212 2HG GLU 26 1HG GLU 26 8.862 0.826 -1.146 213 H GLN 27 H GLN 27 4.089 4.026 -0.247 214 HA GLN 27 HA GLN 27 1.838 3.889 -0.579 215 1HB GLN 27 2HB GLN 27 2.950 3.690 -3.318 216 2HB GLN 27 1HB GLN 27 1.297 3.130 -3.122 217 1HG GLN 27 2HG GLN 27 1.613 5.532 -3.814 218 2HG GLN 27 1HG GLN 27 0.543 5.238 -2.446 219 1HE2 GLN 27 1HE2 GLN 27 1.106 5.955 -0.442 220 2HE2 GLN 27 2HE2 GLN 27 2.416 7.054 -0.167 221 H LEU 28 H LEU 28 3.037 1.682 0.555 222 HA LEU 28 HA LEU 28 1.564 -0.567 -0.643 223 1HB LEU 28 2HB LEU 28 4.127 -0.656 0.953 224 2HB LEU 28 1HB LEU 28 3.250 -2.057 0.373 225 HG LEU 28 HG LEU 28 4.558 0.031 -1.372 226 1HD1 LEU 28 1HD1 LEU 28 5.356 -2.807 -0.738 227 2HD1 LEU 28 2HD1 LEU 28 6.186 -1.343 -0.207 228 3HD1 LEU 28 3HD1 LEU 28 6.137 -1.756 -1.921 229 1HD2 LEU 28 1HD2 LEU 28 4.053 -1.512 -3.204 230 2HD2 LEU 28 2HD2 LEU 28 2.584 -0.931 -2.419 231 3HD2 LEU 28 3HD2 LEU 28 3.181 -2.556 -2.082 232 H LEU 29 H LEU 29 0.735 -2.147 0.829 233 HA LEU 29 HA LEU 29 0.101 -1.042 3.489 234 1HB LEU 29 2HB LEU 29 -1.362 -3.079 1.801 235 2HB LEU 29 1HB LEU 29 -1.822 -2.632 3.432 236 HG LEU 29 HG LEU 29 -1.726 -0.676 1.138 237 1HD1 LEU 29 1HD1 LEU 29 -4.096 -2.142 2.290 238 2HD1 LEU 29 2HD1 LEU 29 -3.379 -2.432 0.705 239 3HD1 LEU 29 3HD1 LEU 29 -4.148 -0.885 1.056 240 1HD2 LEU 29 1HD2 LEU 29 -3.094 0.697 2.634 241 2HD2 LEU 29 2HD2 LEU 29 -1.525 0.326 3.351 242 3HD2 LEU 29 3HD2 LEU 29 -2.967 -0.538 3.883 243 H VAL 30 H VAL 30 1.351 -1.924 5.030 244 HA VAL 30 HA VAL 30 2.297 -4.685 4.608 245 HB VAL 30 HB VAL 30 3.576 -2.519 6.292 246 1HG1 VAL 30 1HG1 VAL 30 4.576 -5.255 5.521 247 2HG1 VAL 30 2HG1 VAL 30 4.034 -4.761 7.124 248 3HG1 VAL 30 3HG1 VAL 30 5.480 -4.039 6.421 249 1HG2 VAL 30 1HG2 VAL 30 4.399 -3.588 3.589 250 2HG2 VAL 30 2HG2 VAL 30 5.301 -2.422 4.559 251 3HG2 VAL 30 3HG2 VAL 30 3.719 -1.991 3.907 252 H ASN 31 H ASN 31 1.437 -6.162 5.888 253 HA ASN 31 HA ASN 31 -0.109 -5.453 8.195 254 1HB ASN 31 2HB ASN 31 -0.681 -7.417 6.816 255 2HB ASN 31 1HB ASN 31 0.840 -8.176 7.274 256 1HD2 ASN 31 1HD2 ASN 31 -2.323 -7.214 8.351 257 2HD2 ASN 31 2HD2 ASN 31 -2.327 -8.160 9.797 258 H GLU 32 H GLU 32 0.614 -5.093 10.168 259 HA GLU 32 HA GLU 32 3.397 -4.991 10.636 260 1HB GLU 32 2HB GLU 32 1.568 -3.483 11.575 261 2HB GLU 32 1HB GLU 32 1.248 -4.763 12.734 262 1HG GLU 32 2HG GLU 32 3.538 -4.584 13.570 263 2HG GLU 32 1HG GLU 32 3.856 -3.294 12.410 264 H ARG 33 H ARG 33 1.105 -7.490 11.145 265 HA ARG 33 HA ARG 33 2.645 -8.771 13.252 266 1HB ARG 33 2HB ARG 33 0.105 -9.570 11.826 267 2HB ARG 33 1HB ARG 33 0.878 -10.557 13.057 268 1HG ARG 33 2HG ARG 33 0.548 -8.785 14.700 269 2HG ARG 33 1HG ARG 33 -0.195 -7.769 13.461 270 1HD ARG 33 2HD ARG 33 -2.003 -9.339 13.193 271 2HD ARG 33 1HD ARG 33 -1.232 -10.474 14.298 272 HE ARG 33 HE ARG 33 -1.580 -8.123 15.722 273 1HH1 ARG 33 1HH1 ARG 33 -3.646 -10.400 14.041 274 2HH1 ARG 33 2HH1 ARG 33 -4.976 -10.210 15.144 275 1HH2 ARG 33 1HH2 ARG 33 -3.343 -7.857 17.177 276 2HH2 ARG 33 2HH2 ARG 33 -4.810 -8.761 16.921 277 H LEU 34 H LEU 34 1.637 -9.508 9.920 278 HA LEU 34 HA LEU 34 3.249 -11.911 9.887 279 1HB LEU 34 2HB LEU 34 1.622 -10.615 7.706 280 2HB LEU 34 1HB LEU 34 2.339 -12.213 7.632 281 HG LEU 34 HG LEU 34 0.180 -11.369 9.571 282 1HD1 LEU 34 1HD1 LEU 34 0.040 -13.059 7.080 283 2HD1 LEU 34 2HD1 LEU 34 -0.657 -11.453 7.296 284 3HD1 LEU 34 3HD1 LEU 34 -1.275 -12.816 8.230 285 1HD2 LEU 34 1HD2 LEU 34 1.613 -13.109 10.481 286 2HD2 LEU 34 2HD2 LEU 34 1.413 -14.064 9.011 287 3HD2 LEU 34 3HD2 LEU 34 0.029 -13.768 10.065 288 H ASN 35 H ASN 35 3.656 -8.625 8.996 289 HA ASN 35 HA ASN 35 5.335 -7.464 8.005 290 1HB ASN 35 2HB ASN 35 6.743 -9.037 9.445 291 2HB ASN 35 1HB ASN 35 6.962 -10.017 8.004 292 1HD2 ASN 35 1HD2 ASN 35 8.397 -9.383 6.468 293 2HD2 ASN 35 2HD2 ASN 35 9.399 -7.976 6.601 294 H LEU 36 H LEU 36 3.305 -8.579 6.468 295 HA LEU 36 HA LEU 36 4.681 -9.138 3.924 296 1HB LEU 36 2HB LEU 36 1.921 -9.987 4.817 297 2HB LEU 36 1HB LEU 36 2.571 -10.238 3.209 298 HG LEU 36 HG LEU 36 3.652 -11.461 5.752 299 1HD1 LEU 36 1HD1 LEU 36 1.512 -12.417 5.075 300 2HD1 LEU 36 2HD1 LEU 36 2.831 -13.563 4.832 301 3HD1 LEU 36 3HD1 LEU 36 2.144 -12.701 3.454 302 1HD2 LEU 36 1HD2 LEU 36 5.422 -11.041 4.142 303 2HD2 LEU 36 2HD2 LEU 36 4.484 -11.841 2.878 304 3HD2 LEU 36 3HD2 LEU 36 5.082 -12.770 4.254 305 H ALA 37 H ALA 37 3.864 -8.077 2.052 306 HA ALA 37 HA ALA 37 2.339 -5.645 2.728 307 1HB ALA 37 1HB ALA 37 4.719 -5.153 2.511 308 2HB ALA 37 2HB ALA 37 3.781 -4.382 1.231 309 3HB ALA 37 3HB ALA 37 4.715 -5.838 0.885 310 H TYR 38 H TYR 38 0.792 -5.020 1.409 311 HA TYR 38 HA TYR 38 0.393 -6.499 -1.101 312 1HB TYR 38 2HB TYR 38 -1.568 -4.953 0.607 313 2HB TYR 38 1HB TYR 38 -1.958 -5.641 -0.965 314 HD1 TYR 38 1HD TYR 38 -1.409 -6.331 2.561 315 HD2 TYR 38 2HD TYR 38 -2.049 -8.089 -1.262 316 HE1 TYR 38 1HE TYR 38 -1.974 -8.464 3.643 317 HE2 TYR 38 2HE TYR 38 -2.620 -10.226 -0.188 318 HH TYR 38 HH TYR 38 -2.214 -11.390 1.937 319 H ARG 39 H ARG 39 -0.198 -5.305 -2.983 320 HA ARG 39 HA ARG 39 1.160 -2.708 -2.991 321 1HB ARG 39 2HB ARG 39 0.516 -4.474 -5.360 322 2HB ARG 39 1HB ARG 39 1.608 -3.092 -5.325 323 1HG ARG 39 2HG ARG 39 3.086 -4.293 -3.803 324 2HG ARG 39 1HG ARG 39 1.998 -5.679 -3.835 325 1HD ARG 39 2HD ARG 39 2.357 -5.760 -6.327 326 2HD ARG 39 1HD ARG 39 3.623 -4.552 -6.106 327 HE ARG 39 HE ARG 39 3.682 -7.226 -4.855 328 1HH1 ARG 39 1HH1 ARG 39 5.290 -4.544 -6.435 329 2HH1 ARG 39 2HH1 ARG 39 6.862 -5.264 -6.333 330 1HH2 ARG 39 1HH2 ARG 39 5.751 -8.165 -4.690 331 2HH2 ARG 39 2HH2 ARG 39 7.135 -7.326 -5.337 332 H ILE 40 H ILE 40 0.191 -0.883 -3.819 333 HA ILE 40 HA ILE 40 -2.675 -1.139 -4.462 334 HB ILE 40 HB ILE 40 -1.213 1.319 -3.463 335 1HG1 ILE 40 2HG1 ILE 40 -3.088 -0.539 -1.982 336 2HG1 ILE 40 1HG1 ILE 40 -1.343 -0.482 -1.765 337 1HG2 ILE 40 1HG2 ILE 40 -3.464 2.236 -3.141 338 2HG2 ILE 40 2HG2 ILE 40 -4.154 0.776 -3.848 339 3HG2 ILE 40 3HG2 ILE 40 -3.156 1.845 -4.833 340 1HD1 ILE 40 1HD1 ILE 40 -2.490 0.710 0.005 341 2HD1 ILE 40 2HD1 ILE 40 -3.268 1.753 -1.185 342 3HD1 ILE 40 3HD1 ILE 40 -1.520 1.813 -0.969 343 H ASP 41 H ASP 41 -3.405 -0.404 -6.398 344 HA ASP 41 HA ASP 41 -1.476 1.006 -8.118 345 1HB ASP 41 2HB ASP 41 -1.691 -1.423 -8.702 346 2HB ASP 41 1HB ASP 41 -3.394 -1.143 -9.052 347 H ASP 42 H ASP 42 -2.365 2.987 -7.854 348 HA ASP 42 HA ASP 42 -3.777 4.737 -8.098 349 1HB ASP 42 2HB ASP 42 -3.412 4.218 -10.453 350 2HB ASP 42 1HB ASP 42 -4.763 3.090 -10.435 351 H GLY 43 H GLY 43 -4.739 3.971 -6.025 352 1HA GLY 43 2HA GLY 43 -6.689 4.198 -4.797 353 2HA GLY 43 1HA GLY 43 -7.591 4.241 -6.303 354 H ILE 44 H ILE 44 -6.028 1.567 -6.857 355 HA ILE 44 HA ILE 44 -8.074 -0.081 -5.535 356 HB ILE 44 HB ILE 44 -6.533 -0.663 -8.072 357 1HG1 ILE 44 2HG1 ILE 44 -9.429 0.137 -7.688 358 2HG1 ILE 44 1HG1 ILE 44 -8.159 1.194 -8.296 359 1HG2 ILE 44 1HG2 ILE 44 -8.824 -2.136 -6.779 360 2HG2 ILE 44 2HG2 ILE 44 -7.150 -2.684 -6.862 361 3HG2 ILE 44 3HG2 ILE 44 -8.100 -2.523 -8.339 362 1HD1 ILE 44 1HD1 ILE 44 -9.555 0.313 -10.087 363 2HD1 ILE 44 2HD1 ILE 44 -9.120 -1.332 -9.621 364 3HD1 ILE 44 3HD1 ILE 44 -7.886 -0.235 -10.239 365 HA PRO 45 HA PRO 45 -4.492 -1.818 -3.446 366 1HB PRO 45 2HB PRO 45 -6.377 -3.081 -1.658 367 2HB PRO 45 1HB PRO 45 -5.280 -1.740 -1.323 368 1HG PRO 45 2HG PRO 45 -8.006 -1.497 -1.405 369 2HG PRO 45 1HG PRO 45 -6.883 -0.164 -1.733 370 1HD PRO 45 2HD PRO 45 -8.376 -1.908 -3.658 371 2HD PRO 45 1HD PRO 45 -8.074 -0.157 -3.722 372 H VAL 46 H VAL 46 -3.577 -3.535 -4.364 373 HA VAL 46 HA VAL 46 -5.089 -5.788 -5.327 374 HB VAL 46 HB VAL 46 -2.095 -5.412 -5.074 375 1HG1 VAL 46 1HG1 VAL 46 -3.680 -7.452 -6.630 376 2HG1 VAL 46 2HG1 VAL 46 -2.663 -7.764 -5.221 377 3HG1 VAL 46 3HG1 VAL 46 -1.935 -7.220 -6.734 378 1HG2 VAL 46 1HG2 VAL 46 -3.943 -4.991 -7.420 379 2HG2 VAL 46 2HG2 VAL 46 -2.181 -4.939 -7.492 380 3HG2 VAL 46 3HG2 VAL 46 -3.060 -3.744 -6.537 381 H LEU 47 H LEU 47 -6.038 -6.907 -3.701 382 HA LEU 47 HA LEU 47 -4.406 -7.566 -1.346 383 1HB LEU 47 2HB LEU 47 -7.406 -7.530 -1.692 384 2HB LEU 47 1HB LEU 47 -6.578 -8.017 -0.225 385 HG LEU 47 HG LEU 47 -6.498 -5.256 -1.450 386 1HD1 LEU 47 1HD1 LEU 47 -7.873 -6.275 1.035 387 2HD1 LEU 47 2HD1 LEU 47 -8.664 -5.791 -0.467 388 3HD1 LEU 47 3HD1 LEU 47 -7.802 -4.594 0.502 389 1HD2 LEU 47 1HD2 LEU 47 -4.414 -5.762 -0.329 390 2HD2 LEU 47 2HD2 LEU 47 -5.286 -6.330 1.096 391 3HD2 LEU 47 3HD2 LEU 47 -5.355 -4.626 0.641 392 H LEU 48 H LEU 48 -4.068 -9.028 -3.718 393 HA LEU 48 HA LEU 48 -5.478 -11.529 -3.409 394 1HB LEU 48 2HB LEU 48 -3.246 -10.634 -5.220 395 2HB LEU 48 1HB LEU 48 -3.757 -12.306 -5.143 396 HG LEU 48 HG LEU 48 -4.816 -11.341 -7.029 397 1HD1 LEU 48 1HD1 LEU 48 -6.219 -12.838 -5.745 398 2HD1 LEU 48 2HD1 LEU 48 -7.191 -11.566 -6.485 399 3HD1 LEU 48 3HD1 LEU 48 -6.801 -11.492 -4.765 400 1HD2 LEU 48 1HD2 LEU 48 -5.835 -9.149 -5.222 401 2HD2 LEU 48 2HD2 LEU 48 -6.196 -9.340 -6.939 402 3HD2 LEU 48 3HD2 LEU 48 -4.551 -8.986 -6.419 403 H ILE 49 H ILE 49 -4.925 -13.089 -2.088 404 HA ILE 49 HA ILE 49 -2.826 -12.932 -0.259 405 HB ILE 49 HB ILE 49 -4.243 -15.442 -1.167 406 1HG1 ILE 49 2HG1 ILE 49 -4.993 -13.554 1.076 407 2HG1 ILE 49 1HG1 ILE 49 -5.786 -13.593 -0.496 408 1HG2 ILE 49 1HG2 ILE 49 -2.833 -14.783 1.416 409 2HG2 ILE 49 2HG2 ILE 49 -2.265 -15.899 0.175 410 3HG2 ILE 49 3HG2 ILE 49 -3.728 -16.268 1.088 411 1HD1 ILE 49 1HD1 ILE 49 -6.506 -15.882 -0.077 412 2HD1 ILE 49 2HD1 ILE 49 -7.069 -14.790 1.189 413 3HD1 ILE 49 3HD1 ILE 49 -5.695 -15.855 1.488 414 H ASP 50 H ASP 50 -3.038 -14.521 -3.386 415 HA ASP 50 HA ASP 50 -0.531 -15.892 -3.118 416 1HB ASP 50 2HB ASP 50 -2.384 -16.803 -4.463 417 2HB ASP 50 1HB ASP 50 -2.259 -15.432 -5.558 418 H GLU 51 H GLU 51 -1.337 -12.718 -3.731 419 HA GLU 51 HA GLU 51 1.099 -12.237 -5.312 420 1HB GLU 51 2HB GLU 51 -1.373 -10.556 -4.894 421 2HB GLU 51 1HB GLU 51 0.085 -9.941 -5.657 422 1HG GLU 51 2HG GLU 51 -1.401 -12.347 -6.670 423 2HG GLU 51 1HG GLU 51 -1.746 -10.702 -7.201 424 H ALA 52 H ALA 52 0.291 -12.449 -2.215 425 HA ALA 52 HA ALA 52 1.149 -9.984 -1.088 426 1HB ALA 52 1HB ALA 52 1.213 -11.180 1.032 427 2HB ALA 52 2HB ALA 52 1.079 -12.722 0.185 428 3HB ALA 52 3HB ALA 52 -0.260 -11.573 0.144 429 H THR 53 H THR 53 3.138 -9.221 -0.735 430 HA THR 53 HA THR 53 5.398 -11.024 -1.312 431 HB THR 53 HB THR 53 5.466 -8.018 -1.507 432 HG1 THR 53 1HG THR 53 4.116 -9.727 -3.082 433 1HG2 THR 53 1HG2 THR 53 7.631 -9.164 -1.425 434 2HG2 THR 53 2HG2 THR 53 7.356 -8.435 -3.008 435 3HG2 THR 53 3HG2 THR 53 7.150 -10.174 -2.785 436 H GLU 54 H GLU 54 7.232 -10.905 0.033 437 HA GLU 54 HA GLU 54 6.682 -9.956 2.717 438 1HB GLU 54 2HB GLU 54 8.830 -11.003 3.311 439 2HB GLU 54 1HB GLU 54 7.761 -12.123 2.484 440 1HG GLU 54 2HG GLU 54 9.014 -11.931 0.459 441 2HG GLU 54 1HG GLU 54 9.995 -10.629 1.132 442 H TRP 55 H TRP 55 7.453 -8.132 3.601 443 HA TRP 55 HA TRP 55 9.058 -6.430 1.824 444 1HB TRP 55 2HB TRP 55 6.758 -5.653 2.468 445 2HB TRP 55 1HB TRP 55 7.299 -5.588 4.141 446 HD1 TRP 55 HD TRP 55 7.850 -3.211 4.850 447 HE1 TRP 55 1HE TRP 55 8.816 -1.108 3.721 448 HE3 TRP 55 3HE TRP 55 8.549 -5.064 0.134 449 HZ2 TRP 55 2HZ TRP 55 9.754 -0.338 1.169 450 HZ3 TRP 55 3HZ TRP 55 9.488 -3.581 -1.589 451 HH2 TRP 55 HH TRP 55 10.077 -1.269 -1.081 452 H THR 56 H THR 56 10.732 -5.143 2.730 453 HA THR 56 HA THR 56 12.360 -6.363 4.662 454 HB THR 56 HB THR 56 12.405 -3.439 3.925 455 HG1 THR 56 1HG THR 56 13.944 -5.356 2.546 456 1HG2 THR 56 1HG2 THR 56 14.825 -3.672 4.293 457 2HG2 THR 56 2HG2 THR 56 14.587 -5.362 4.739 458 3HG2 THR 56 3HG2 THR 56 13.909 -4.081 5.743 459 HA PRO 57 HA PRO 57 10.242 -5.571 8.490 460 1HB PRO 57 2HB PRO 57 13.065 -5.062 9.349 461 2HB PRO 57 1HB PRO 57 11.803 -6.001 10.153 462 1HG PRO 57 2HG PRO 57 13.727 -7.215 8.757 463 2HG PRO 57 1HG PRO 57 12.058 -7.815 8.732 464 1HD PRO 57 2HD PRO 57 13.588 -6.405 6.626 465 2HD PRO 57 1HD PRO 57 12.217 -7.522 6.474 466 H ASN 58 H ASN 58 9.237 -3.776 9.036 467 HA ASN 58 HA ASN 58 9.796 -1.248 8.071 468 1HB ASN 58 2HB ASN 58 7.605 -2.018 9.024 469 2HB ASN 58 1HB ASN 58 8.299 -1.839 10.632 470 1HD2 ASN 58 1HD2 ASN 58 8.865 0.291 7.885 471 2HD2 ASN 58 2HD2 ASN 58 8.129 1.684 8.590 472 H ASN 59 H ASN 59 10.792 0.575 8.891 473 HA ASN 59 HA ASN 59 13.065 -0.013 10.513 474 1HB ASN 59 2HB ASN 59 13.694 2.355 10.108 475 2HB ASN 59 1HB ASN 59 13.379 1.451 8.636 476 1HD2 ASN 59 1HD2 ASN 59 13.383 4.303 9.090 477 2HD2 ASN 59 2HD2 ASN 59 11.811 4.876 8.642 478 H LEU 60 H LEU 60 12.056 -0.593 12.454 479 HA LEU 60 HA LEU 60 10.889 1.516 14.059 480 1HB LEU 60 2HB LEU 60 11.703 -1.299 14.808 481 2HB LEU 60 1HB LEU 60 10.816 -0.191 15.837 482 HG LEU 60 HG LEU 60 9.824 -1.350 13.230 483 1HD1 LEU 60 1HD1 LEU 60 9.912 -3.004 15.017 484 2HD1 LEU 60 2HD1 LEU 60 8.243 -2.573 14.643 485 3HD1 LEU 60 3HD1 LEU 60 9.022 -1.917 16.082 486 1HD2 LEU 60 1HD2 LEU 60 7.698 -0.306 13.793 487 2HD2 LEU 60 2HD2 LEU 60 8.967 0.911 13.643 488 3HD2 LEU 60 3HD2 LEU 60 8.415 0.404 15.239 489 H GLU 61 H GLU 61 12.233 3.035 14.782 490 HA GLU 61 HA GLU 61 15.038 2.432 15.111 491 1HB GLU 61 2HB GLU 61 15.226 4.871 15.655 492 2HB GLU 61 1HB GLU 61 14.556 4.513 14.071 493 1HG GLU 61 2HG GLU 61 12.292 4.884 14.994 494 2HG GLU 61 1HG GLU 61 13.033 5.367 16.522 Start of MODEL 19 1 1H MET 1 1HT MET 1 -12.166 10.214 12.351 2 2H MET 1 2HT MET 1 -13.049 11.615 12.037 3 3H MET 1 3HT MET 1 -13.286 10.779 13.491 4 HA MET 1 HA MET 1 -11.990 12.691 13.950 5 1HB MET 1 2HB MET 1 -11.387 10.641 15.156 6 2HB MET 1 1HB MET 1 -10.272 10.201 13.871 7 1HG MET 1 2HG MET 1 -8.915 12.168 14.377 8 2HG MET 1 1HG MET 1 -10.038 12.614 15.658 9 1HE MET 1 1HE MET 1 -7.827 12.760 17.211 10 2HE MET 1 2HE MET 1 -6.804 12.154 15.910 11 3HE MET 1 3HE MET 1 -6.749 11.391 17.496 12 H SER 2 H SER 2 -11.815 14.037 12.173 13 HA SER 2 HA SER 2 -10.823 15.201 10.508 14 1HB SER 2 2HB SER 2 -8.312 13.910 11.590 15 2HB SER 2 1HB SER 2 -8.363 15.320 10.534 16 HG SER 2 HG SER 2 -9.923 16.017 12.431 17 H LEU 3 H LEU 3 -9.007 14.890 8.627 18 HA LEU 3 HA LEU 3 -8.504 13.910 6.650 19 1HB LEU 3 2HB LEU 3 -8.656 11.469 8.398 20 2HB LEU 3 1HB LEU 3 -8.266 11.358 6.696 21 HG LEU 3 HG LEU 3 -6.328 12.934 7.165 22 1HD1 LEU 3 1HD1 LEU 3 -5.506 13.053 9.447 23 2HD1 LEU 3 2HD1 LEU 3 -6.926 12.179 10.021 24 3HD1 LEU 3 3HD1 LEU 3 -7.104 13.790 9.324 25 1HD2 LEU 3 1HD2 LEU 3 -6.004 10.569 6.775 26 2HD2 LEU 3 2HD2 LEU 3 -6.367 10.216 8.464 27 3HD2 LEU 3 3HD2 LEU 3 -4.915 11.126 8.047 28 H ASP 4 H ASP 4 -9.293 11.759 5.292 29 HA ASP 4 HA ASP 4 -12.233 11.794 5.350 30 1HB ASP 4 2HB ASP 4 -11.251 13.034 3.385 31 2HB ASP 4 1HB ASP 4 -10.564 11.503 2.845 32 HA PRO 5 HA PRO 5 -10.831 7.493 6.117 33 1HB PRO 5 2HB PRO 5 -13.460 7.298 7.418 34 2HB PRO 5 1HB PRO 5 -11.853 6.981 8.077 35 1HG PRO 5 2HG PRO 5 -13.291 9.127 8.818 36 2HG PRO 5 1HG PRO 5 -11.523 9.182 8.686 37 1HD PRO 5 2HD PRO 5 -13.602 10.175 6.770 38 2HD PRO 5 1HD PRO 5 -12.083 10.944 7.278 39 H GLN 6 H GLN 6 -13.261 8.859 4.259 40 HA GLN 6 HA GLN 6 -14.563 6.367 3.544 41 1HB GLN 6 2HB GLN 6 -15.885 8.431 3.678 42 2HB GLN 6 1HB GLN 6 -14.885 9.159 2.431 43 1HG GLN 6 2HG GLN 6 -15.671 7.551 0.809 44 2HG GLN 6 1HG GLN 6 -16.602 6.718 2.053 45 1HE2 GLN 6 1HE2 GLN 6 -17.481 7.992 -0.439 46 2HE2 GLN 6 2HE2 GLN 6 -18.659 9.176 0.030 47 H LEU 7 H LEU 7 -12.449 8.793 2.044 48 HA LEU 7 HA LEU 7 -12.092 7.269 -0.366 49 1HB LEU 7 2HB LEU 7 -10.531 9.589 0.769 50 2HB LEU 7 1HB LEU 7 -10.280 8.909 -0.828 51 HG LEU 7 HG LEU 7 -12.822 10.239 0.125 52 1HD1 LEU 7 1HD1 LEU 7 -10.705 11.201 -1.789 53 2HD1 LEU 7 2HD1 LEU 7 -10.977 11.811 -0.155 54 3HD1 LEU 7 3HD1 LEU 7 -12.212 12.032 -1.397 55 1HD2 LEU 7 1HD2 LEU 7 -13.525 10.087 -2.206 56 2HD2 LEU 7 2HD2 LEU 7 -13.242 8.486 -1.523 57 3HD2 LEU 7 3HD2 LEU 7 -12.049 9.208 -2.601 58 H LEU 8 H LEU 8 -10.748 7.197 2.757 59 HA LEU 8 HA LEU 8 -8.343 5.782 1.899 60 1HB LEU 8 2HB LEU 8 -9.266 6.589 4.664 61 2HB LEU 8 1HB LEU 8 -7.738 5.812 4.296 62 HG LEU 8 HG LEU 8 -8.577 8.548 3.336 63 1HD1 LEU 8 1HD1 LEU 8 -6.866 9.358 4.883 64 2HD1 LEU 8 2HD1 LEU 8 -6.596 7.708 5.449 65 3HD1 LEU 8 3HD1 LEU 8 -8.148 8.499 5.732 66 1HD2 LEU 8 1HD2 LEU 8 -5.957 7.080 3.061 67 2HD2 LEU 8 2HD2 LEU 8 -6.264 8.745 2.570 68 3HD2 LEU 8 3HD2 LEU 8 -7.095 7.417 1.758 69 H GLU 9 H GLU 9 -11.464 5.202 3.312 70 HA GLU 9 HA GLU 9 -12.616 3.329 3.853 71 1HB GLU 9 2HB GLU 9 -10.503 2.150 2.056 72 2HB GLU 9 1HB GLU 9 -11.732 1.145 2.812 73 1HG GLU 9 2HG GLU 9 -12.438 3.541 1.153 74 2HG GLU 9 1HG GLU 9 -12.167 1.949 0.443 75 H VAL 10 H VAL 10 -12.196 0.933 4.767 76 HA VAL 10 HA VAL 10 -10.062 1.141 6.782 77 HB VAL 10 HB VAL 10 -12.429 -0.743 6.826 78 1HG1 VAL 10 1HG1 VAL 10 -10.392 -0.015 8.927 79 2HG1 VAL 10 2HG1 VAL 10 -10.549 -1.567 8.101 80 3HG1 VAL 10 3HG1 VAL 10 -11.815 -1.020 9.202 81 1HG2 VAL 10 1HG2 VAL 10 -13.234 1.537 6.996 82 2HG2 VAL 10 2HG2 VAL 10 -12.069 1.872 8.276 83 3HG2 VAL 10 3HG2 VAL 10 -13.378 0.722 8.555 84 H LEU 11 H LEU 11 -8.333 0.363 5.661 85 HA LEU 11 HA LEU 11 -8.634 -1.947 3.947 86 1HB LEU 11 2HB LEU 11 -6.199 -0.297 4.611 87 2HB LEU 11 1HB LEU 11 -6.269 -1.551 3.387 88 HG LEU 11 HG LEU 11 -7.889 0.996 3.345 89 1HD1 LEU 11 1HD1 LEU 11 -5.506 1.414 3.012 90 2HD1 LEU 11 2HD1 LEU 11 -6.421 1.675 1.527 91 3HD1 LEU 11 3HD1 LEU 11 -5.471 0.202 1.732 92 1HD2 LEU 11 1HD2 LEU 11 -9.012 -0.849 2.218 93 2HD2 LEU 11 2HD2 LEU 11 -7.551 -1.185 1.289 94 3HD2 LEU 11 3HD2 LEU 11 -8.422 0.330 1.045 95 H ALA 12 H ALA 12 -8.710 -3.860 4.883 96 HA ALA 12 HA ALA 12 -6.623 -4.527 6.851 97 1HB ALA 12 1HB ALA 12 -9.434 -5.644 6.724 98 2HB ALA 12 2HB ALA 12 -8.816 -4.515 7.929 99 3HB ALA 12 3HB ALA 12 -8.170 -6.153 7.846 100 H CYS 13 H CYS 13 -5.693 -6.605 6.648 101 HA CYS 13 HA CYS 13 -5.385 -7.479 3.972 102 1HB CYS 13 2HB CYS 13 -4.111 -9.400 5.120 103 2HB CYS 13 1HB CYS 13 -3.496 -7.766 5.324 104 HG CYS 13 HG CYS 13 -3.974 -7.500 7.909 105 HA PRO 14 HA PRO 14 -8.884 -10.054 3.539 106 1HB PRO 14 2HB PRO 14 -7.984 -11.682 1.538 107 2HB PRO 14 1HB PRO 14 -8.533 -10.020 1.284 108 1HG PRO 14 2HG PRO 14 -5.744 -11.072 1.561 109 2HG PRO 14 1HG PRO 14 -6.377 -9.869 0.423 110 1HD PRO 14 2HD PRO 14 -5.000 -9.154 2.617 111 2HD PRO 14 1HD PRO 14 -6.350 -8.179 1.997 112 H LYS 15 H LYS 15 -5.745 -11.484 4.128 113 HA LYS 15 HA LYS 15 -6.918 -14.084 4.692 114 1HB LYS 15 2HB LYS 15 -4.869 -14.221 3.507 115 2HB LYS 15 1HB LYS 15 -4.075 -13.090 4.594 116 1HG LYS 15 2HG LYS 15 -4.123 -14.711 6.382 117 2HG LYS 15 1HG LYS 15 -5.027 -15.839 5.371 118 1HD LYS 15 2HD LYS 15 -3.181 -16.179 3.937 119 2HD LYS 15 1HD LYS 15 -2.315 -14.791 4.606 120 1HE LYS 15 2HE LYS 15 -1.472 -17.007 5.382 121 2HE LYS 15 1HE LYS 15 -1.961 -15.915 6.677 122 1HZ LYS 15 1HZ LYS 15 -3.542 -18.200 5.611 123 2HZ LYS 15 2HZ LYS 15 -4.088 -17.114 6.793 124 3HZ LYS 15 3HZ LYS 15 -2.766 -18.123 7.116 125 H ASP 16 H ASP 16 -4.901 -11.726 6.440 126 HA ASP 16 HA ASP 16 -5.258 -13.199 8.902 127 1HB ASP 16 2HB ASP 16 -3.064 -12.347 8.404 128 2HB ASP 16 1HB ASP 16 -3.688 -10.716 8.202 129 H LYS 17 H LYS 17 -6.522 -10.350 7.393 130 HA LYS 17 HA LYS 17 -8.195 -8.913 7.908 131 1HB LYS 17 2HB LYS 17 -9.157 -11.230 8.772 132 2HB LYS 17 1HB LYS 17 -8.977 -10.457 10.339 133 1HG LYS 17 2HG LYS 17 -11.201 -10.091 9.622 134 2HG LYS 17 1HG LYS 17 -10.348 -8.552 9.462 135 1HD LYS 17 2HD LYS 17 -10.076 -8.929 7.069 136 2HD LYS 17 1HD LYS 17 -10.849 -10.509 7.216 137 1HE LYS 17 2HE LYS 17 -12.897 -9.357 8.040 138 2HE LYS 17 1HE LYS 17 -12.119 -7.814 7.684 139 1HZ LYS 17 1HZ LYS 17 -11.991 -8.443 5.357 140 2HZ LYS 17 2HZ LYS 17 -13.595 -8.537 5.895 141 3HZ LYS 17 3HZ LYS 17 -12.683 -9.954 5.695 142 H GLY 18 H GLY 18 -5.483 -8.964 9.301 143 1HA GLY 18 2HA GLY 18 -6.078 -7.505 11.766 144 2HA GLY 18 1HA GLY 18 -4.494 -8.058 11.240 145 HA PRO 19 HA PRO 19 -5.203 -3.438 10.444 146 1HB PRO 19 2HB PRO 19 -3.104 -2.547 11.944 147 2HB PRO 19 1HB PRO 19 -4.736 -2.768 12.587 148 1HG PRO 19 2HG PRO 19 -2.360 -4.577 12.782 149 2HG PRO 19 1HG PRO 19 -3.541 -4.141 14.033 150 1HD PRO 19 2HD PRO 19 -3.657 -6.483 12.701 151 2HD PRO 19 1HD PRO 19 -5.119 -5.630 13.239 152 H LEU 20 H LEU 20 -4.204 -2.392 8.829 153 HA LEU 20 HA LEU 20 -1.623 -3.462 7.899 154 1HB LEU 20 2HB LEU 20 -3.820 -2.067 6.374 155 2HB LEU 20 1HB LEU 20 -2.256 -2.479 5.694 156 HG LEU 20 HG LEU 20 -4.301 -4.453 6.719 157 1HD1 LEU 20 1HD1 LEU 20 -3.420 -3.781 3.922 158 2HD1 LEU 20 2HD1 LEU 20 -4.986 -3.404 4.640 159 3HD1 LEU 20 3HD1 LEU 20 -4.520 -5.085 4.369 160 1HD2 LEU 20 1HD2 LEU 20 -2.823 -6.158 5.813 161 2HD2 LEU 20 2HD2 LEU 20 -1.990 -5.212 7.046 162 3HD2 LEU 20 3HD2 LEU 20 -1.658 -4.921 5.339 163 H ARG 21 H ARG 21 0.077 -2.131 7.650 164 HA ARG 21 HA ARG 21 -0.203 0.643 8.501 165 1HB ARG 21 2HB ARG 21 1.697 -0.769 9.314 166 2HB ARG 21 1HB ARG 21 2.283 -0.870 7.660 167 1HG ARG 21 2HG ARG 21 2.548 1.579 7.629 168 2HG ARG 21 1HG ARG 21 2.026 1.639 9.312 169 1HD ARG 21 2HD ARG 21 4.485 0.274 8.222 170 2HD ARG 21 1HD ARG 21 4.434 1.722 9.226 171 HE ARG 21 HE ARG 21 3.132 -0.289 10.636 172 1HH1 ARG 21 1HH1 ARG 21 6.366 0.427 9.491 173 2HH1 ARG 21 2HH1 ARG 21 7.152 -0.557 10.684 174 1HH2 ARG 21 1HH2 ARG 21 4.150 -1.609 12.188 175 2HH2 ARG 21 2HH2 ARG 21 5.889 -1.745 12.208 176 H TYR 22 H TYR 22 -0.423 2.260 7.110 177 HA TYR 22 HA TYR 22 -0.315 1.666 4.270 178 1HB TYR 22 2HB TYR 22 -2.189 2.991 5.313 179 2HB TYR 22 1HB TYR 22 -1.032 4.281 5.619 180 HD1 TYR 22 1HD TYR 22 -3.201 2.736 3.195 181 HD2 TYR 22 2HD TYR 22 0.069 5.418 3.649 182 HE1 TYR 22 1HE TYR 22 -3.629 3.633 0.946 183 HE2 TYR 22 2HE TYR 22 -0.354 6.324 1.403 184 HH TYR 22 HH TYR 22 -3.169 5.808 -0.293 185 H LEU 23 H LEU 23 1.629 1.712 3.377 186 HA LEU 23 HA LEU 23 3.659 3.589 4.256 187 1HB LEU 23 2HB LEU 23 3.846 1.082 3.325 188 2HB LEU 23 1HB LEU 23 3.972 1.931 1.798 189 HG LEU 23 HG LEU 23 6.157 1.337 2.792 190 1HD1 LEU 23 1HD1 LEU 23 7.222 3.500 2.472 191 2HD1 LEU 23 2HD1 LEU 23 5.655 4.300 2.599 192 3HD1 LEU 23 3HD1 LEU 23 5.985 3.218 1.247 193 1HD2 LEU 23 1HD2 LEU 23 6.954 2.602 4.737 194 2HD2 LEU 23 2HD2 LEU 23 5.591 1.556 5.133 195 3HD2 LEU 23 3HD2 LEU 23 5.344 3.291 4.936 196 H GLU 24 H GLU 24 3.045 5.616 3.708 197 HA GLU 24 HA GLU 24 1.436 6.238 1.470 198 1HB GLU 24 2HB GLU 24 3.163 8.295 2.796 199 2HB GLU 24 1HB GLU 24 1.519 8.449 2.195 200 1HG GLU 24 2HG GLU 24 1.065 8.433 4.406 201 2HG GLU 24 1HG GLU 24 1.069 6.690 4.139 202 H SER 25 H SER 25 4.831 5.908 1.841 203 HA SER 25 HA SER 25 5.623 7.730 -0.184 204 1HB SER 25 2HB SER 25 7.182 5.418 0.975 205 2HB SER 25 1HB SER 25 7.842 6.842 0.167 206 HG SER 25 HG SER 25 6.517 7.964 1.976 207 H GLU 26 H GLU 26 4.730 4.326 -0.231 208 HA GLU 26 HA GLU 26 5.238 4.342 -3.128 209 1HB GLU 26 2HB GLU 26 5.940 2.124 -1.205 210 2HB GLU 26 1HB GLU 26 5.907 1.927 -2.952 211 1HG GLU 26 2HG GLU 26 7.633 3.666 -3.157 212 2HG GLU 26 1HG GLU 26 7.694 3.782 -1.399 213 H GLN 27 H GLN 27 2.879 4.346 -1.035 214 HA GLN 27 HA GLN 27 0.764 3.554 -0.860 215 1HB GLN 27 2HB GLN 27 1.347 3.349 -3.775 216 2HB GLN 27 1HB GLN 27 -0.111 2.575 -3.178 217 1HG GLN 27 2HG GLN 27 -0.642 4.764 -3.975 218 2HG GLN 27 1HG GLN 27 -0.838 4.719 -2.226 219 1HE2 GLN 27 1HE2 GLN 27 -0.653 6.905 -1.990 220 2HE2 GLN 27 2HE2 GLN 27 0.838 7.759 -2.207 221 H LEU 28 H LEU 28 2.073 1.893 0.450 222 HA LEU 28 HA LEU 28 1.425 -0.796 -0.564 223 1HB LEU 28 2HB LEU 28 3.783 -0.016 1.156 224 2HB LEU 28 1HB LEU 28 3.370 -1.651 0.683 225 HG LEU 28 HG LEU 28 4.203 0.551 -1.207 226 1HD1 LEU 28 1HD1 LEU 28 6.257 -0.749 -1.455 227 2HD1 LEU 28 2HD1 LEU 28 5.701 -1.864 -0.208 228 3HD1 LEU 28 3HD1 LEU 28 6.040 -0.184 0.201 229 1HD2 LEU 28 1HD2 LEU 28 3.664 -2.376 -1.685 230 2HD2 LEU 28 2HD2 LEU 28 4.327 -1.249 -2.866 231 3HD2 LEU 28 3HD2 LEU 28 2.687 -1.028 -2.260 232 H LEU 29 H LEU 29 0.611 -2.259 0.934 233 HA LEU 29 HA LEU 29 -0.069 -1.137 3.577 234 1HB LEU 29 2HB LEU 29 -1.485 -3.247 1.944 235 2HB LEU 29 1HB LEU 29 -1.925 -2.795 3.580 236 HG LEU 29 HG LEU 29 -1.989 -0.917 1.215 237 1HD1 LEU 29 1HD1 LEU 29 -4.242 -2.352 2.612 238 2HD1 LEU 29 2HD1 LEU 29 -3.651 -2.691 0.988 239 3HD1 LEU 29 3HD1 LEU 29 -4.415 -1.143 1.342 240 1HD2 LEU 29 1HD2 LEU 29 -3.043 -0.621 4.026 241 2HD2 LEU 29 2HD2 LEU 29 -3.208 0.556 2.723 242 3HD2 LEU 29 3HD2 LEU 29 -1.614 0.177 3.374 243 H VAL 30 H VAL 30 1.226 -1.941 5.098 244 HA VAL 30 HA VAL 30 2.366 -4.629 4.676 245 HB VAL 30 HB VAL 30 3.477 -2.424 6.420 246 1HG1 VAL 30 1HG1 VAL 30 4.133 -4.675 7.091 247 2HG1 VAL 30 2HG1 VAL 30 5.509 -3.779 6.440 248 3HG1 VAL 30 3HG1 VAL 30 4.705 -5.004 5.453 249 1HG2 VAL 30 1HG2 VAL 30 5.159 -2.092 4.673 250 2HG2 VAL 30 2HG2 VAL 30 3.535 -1.722 4.096 251 3HG2 VAL 30 3HG2 VAL 30 4.310 -3.240 3.639 252 H ASN 31 H ASN 31 1.964 -6.191 6.137 253 HA ASN 31 HA ASN 31 0.724 -5.386 8.692 254 1HB ASN 31 2HB ASN 31 -0.825 -6.646 7.244 255 2HB ASN 31 1HB ASN 31 0.333 -7.965 7.155 256 1HD2 ASN 31 1HD2 ASN 31 -1.291 -9.340 8.008 257 2HD2 ASN 31 2HD2 ASN 31 -1.680 -9.340 9.697 258 H GLU 32 H GLU 32 2.052 -5.614 10.324 259 HA GLU 32 HA GLU 32 4.520 -6.963 10.191 260 1HB GLU 32 2HB GLU 32 3.035 -6.194 12.707 261 2HB GLU 32 1HB GLU 32 4.766 -6.440 12.533 262 1HG GLU 32 2HG GLU 32 4.781 -4.196 12.423 263 2HG GLU 32 1HG GLU 32 4.426 -4.503 10.726 264 H ARG 33 H ARG 33 1.356 -8.031 10.986 265 HA ARG 33 HA ARG 33 2.116 -10.301 12.552 266 1HB ARG 33 2HB ARG 33 -0.461 -9.459 11.239 267 2HB ARG 33 1HB ARG 33 -0.309 -10.946 12.166 268 1HG ARG 33 2HG ARG 33 0.015 -9.811 14.165 269 2HG ARG 33 1HG ARG 33 0.460 -8.308 13.354 270 1HD ARG 33 2HD ARG 33 -1.829 -8.366 14.414 271 2HD ARG 33 1HD ARG 33 -1.771 -7.876 12.722 272 HE ARG 33 HE ARG 33 -2.509 -10.167 12.168 273 1HH1 ARG 33 1HH1 ARG 33 -3.066 -8.934 15.406 274 2HH1 ARG 33 2HH1 ARG 33 -4.456 -9.950 15.680 275 1HH2 ARG 33 1HH2 ARG 33 -4.271 -11.522 12.532 276 2HH2 ARG 33 2HH2 ARG 33 -5.115 -11.459 14.062 277 H LEU 34 H LEU 34 2.142 -9.681 9.217 278 HA LEU 34 HA LEU 34 2.193 -12.578 8.668 279 1HB LEU 34 2HB LEU 34 1.214 -10.329 6.917 280 2HB LEU 34 1HB LEU 34 1.533 -11.943 6.316 281 HG LEU 34 HG LEU 34 -0.528 -11.201 8.388 282 1HD1 LEU 34 1HD1 LEU 34 -2.140 -11.822 6.669 283 2HD1 LEU 34 2HD1 LEU 34 -0.821 -12.121 5.535 284 3HD1 LEU 34 3HD1 LEU 34 -1.116 -10.488 6.135 285 1HD2 LEU 34 1HD2 LEU 34 -1.243 -13.523 8.245 286 2HD2 LEU 34 2HD2 LEU 34 0.430 -13.419 8.796 287 3HD2 LEU 34 3HD2 LEU 34 0.076 -13.874 7.128 288 H ASN 35 H ASN 35 3.895 -9.633 8.559 289 HA ASN 35 HA ASN 35 5.932 -8.987 7.770 290 1HB ASN 35 2HB ASN 35 6.416 -11.473 8.584 291 2HB ASN 35 1HB ASN 35 6.597 -11.765 6.859 292 1HD2 ASN 35 1HD2 ASN 35 7.664 -9.017 6.438 293 2HD2 ASN 35 2HD2 ASN 35 9.282 -9.068 7.035 294 H LEU 36 H LEU 36 3.476 -9.455 6.097 295 HA LEU 36 HA LEU 36 4.742 -9.521 3.441 296 1HB LEU 36 2HB LEU 36 1.945 -10.383 4.205 297 2HB LEU 36 1HB LEU 36 2.592 -10.369 2.578 298 HG LEU 36 HG LEU 36 3.619 -12.098 4.833 299 1HD1 LEU 36 1HD1 LEU 36 1.916 -12.813 2.452 300 2HD1 LEU 36 2HD1 LEU 36 1.386 -12.760 4.132 301 3HD1 LEU 36 3HD1 LEU 36 2.588 -13.945 3.626 302 1HD2 LEU 36 1HD2 LEU 36 5.348 -11.548 3.223 303 2HD2 LEU 36 2HD2 LEU 36 4.298 -12.052 1.898 304 3HD2 LEU 36 3HD2 LEU 36 4.871 -13.239 3.071 305 H ALA 37 H ALA 37 3.852 -8.140 1.845 306 HA ALA 37 HA ALA 37 2.204 -5.943 2.904 307 1HB ALA 37 1HB ALA 37 4.555 -5.250 2.722 308 2HB ALA 37 2HB ALA 37 3.503 -4.352 1.630 309 3HB ALA 37 3HB ALA 37 4.522 -5.645 1.001 310 H TYR 38 H TYR 38 0.635 -5.184 1.616 311 HA TYR 38 HA TYR 38 0.228 -6.487 -0.992 312 1HB TYR 38 2HB TYR 38 -1.733 -4.941 0.732 313 2HB TYR 38 1HB TYR 38 -2.113 -5.764 -0.777 314 HD1 TYR 38 1HD TYR 38 -2.360 -8.170 -0.846 315 HD2 TYR 38 2HD TYR 38 -1.321 -6.209 2.784 316 HE1 TYR 38 1HE TYR 38 -2.886 -10.218 0.404 317 HE2 TYR 38 2HE TYR 38 -1.839 -8.257 4.044 318 HH TYR 38 HH TYR 38 -2.266 -11.258 2.574 319 H ARG 39 H ARG 39 -0.025 -5.215 -2.831 320 HA ARG 39 HA ARG 39 1.023 -2.511 -2.528 321 1HB ARG 39 2HB ARG 39 0.623 -4.230 -4.978 322 2HB ARG 39 1HB ARG 39 1.254 -2.591 -5.015 323 1HG ARG 39 2HG ARG 39 3.135 -3.314 -3.596 324 2HG ARG 39 1HG ARG 39 2.519 -4.966 -3.670 325 1HD ARG 39 2HD ARG 39 3.318 -3.309 -6.061 326 2HD ARG 39 1HD ARG 39 4.342 -4.517 -5.286 327 HE ARG 39 HE ARG 39 1.753 -5.174 -6.560 328 1HH1 ARG 39 1HH1 ARG 39 5.150 -5.800 -5.973 329 2HH1 ARG 39 2HH1 ARG 39 5.145 -7.320 -6.815 330 1HH2 ARG 39 1HH2 ARG 39 1.753 -7.159 -7.697 331 2HH2 ARG 39 2HH2 ARG 39 3.218 -8.083 -7.826 332 H ILE 40 H ILE 40 -0.085 -0.702 -2.982 333 HA ILE 40 HA ILE 40 -2.821 -0.997 -4.034 334 HB ILE 40 HB ILE 40 -1.535 1.423 -2.736 335 1HG1 ILE 40 2HG1 ILE 40 -3.602 -0.493 -1.638 336 2HG1 ILE 40 1HG1 ILE 40 -1.911 -0.437 -1.151 337 1HG2 ILE 40 1HG2 ILE 40 -3.824 2.329 -2.683 338 2HG2 ILE 40 2HG2 ILE 40 -4.385 0.930 -3.597 339 3HG2 ILE 40 3HG2 ILE 40 -3.248 2.063 -4.328 340 1HD1 ILE 40 1HD1 ILE 40 -3.370 0.660 0.457 341 2HD1 ILE 40 2HD1 ILE 40 -3.909 1.781 -0.793 342 3HD1 ILE 40 3HD1 ILE 40 -2.227 1.796 -0.258 343 H ASP 41 H ASP 41 -2.968 -0.720 -6.164 344 HA ASP 41 HA ASP 41 -0.832 0.819 -7.470 345 1HB ASP 41 2HB ASP 41 -1.062 -1.591 -8.113 346 2HB ASP 41 1HB ASP 41 -2.665 -1.223 -8.741 347 H ASP 42 H ASP 42 -1.610 2.824 -7.387 348 HA ASP 42 HA ASP 42 -2.857 4.650 -7.861 349 1HB ASP 42 2HB ASP 42 -1.956 3.998 -10.077 350 2HB ASP 42 1HB ASP 42 -3.443 3.113 -10.392 351 H GLY 43 H GLY 43 -4.318 3.907 -6.103 352 1HA GLY 43 2HA GLY 43 -6.519 4.352 -5.450 353 2HA GLY 43 1HA GLY 43 -7.037 4.157 -7.114 354 H ILE 44 H ILE 44 -5.430 1.490 -7.040 355 HA ILE 44 HA ILE 44 -7.696 -0.004 -5.900 356 HB ILE 44 HB ILE 44 -5.847 -0.839 -8.140 357 1HG1 ILE 44 2HG1 ILE 44 -8.740 0.051 -8.194 358 2HG1 ILE 44 1HG1 ILE 44 -7.369 0.971 -8.798 359 1HG2 ILE 44 1HG2 ILE 44 -7.385 -2.717 -8.438 360 2HG2 ILE 44 2HG2 ILE 44 -8.313 -2.184 -7.036 361 3HG2 ILE 44 3HG2 ILE 44 -6.650 -2.737 -6.833 362 1HD1 ILE 44 1HD1 ILE 44 -8.282 -1.685 -9.872 363 2HD1 ILE 44 2HD1 ILE 44 -6.970 -0.689 -10.505 364 3HD1 ILE 44 3HD1 ILE 44 -8.635 -0.111 -10.587 365 HA PRO 45 HA PRO 45 -4.467 -1.614 -3.174 366 1HB PRO 45 2HB PRO 45 -6.672 -2.576 -1.555 367 2HB PRO 45 1HB PRO 45 -5.480 -1.337 -1.162 368 1HG PRO 45 2HG PRO 45 -8.121 -0.802 -1.589 369 2HG PRO 45 1HG PRO 45 -6.822 0.367 -1.887 370 1HD PRO 45 2HD PRO 45 -8.309 -1.350 -3.835 371 2HD PRO 45 1HD PRO 45 -7.773 0.337 -3.997 372 H VAL 46 H VAL 46 -3.638 -3.406 -4.093 373 HA VAL 46 HA VAL 46 -5.330 -5.563 -4.986 374 HB VAL 46 HB VAL 46 -2.311 -5.497 -4.859 375 1HG1 VAL 46 1HG1 VAL 46 -2.439 -7.210 -6.604 376 2HG1 VAL 46 2HG1 VAL 46 -4.199 -7.191 -6.491 377 3HG1 VAL 46 3HG1 VAL 46 -3.233 -7.737 -5.119 378 1HG2 VAL 46 1HG2 VAL 46 -3.155 -3.614 -6.169 379 2HG2 VAL 46 2HG2 VAL 46 -4.130 -4.722 -7.136 380 3HG2 VAL 46 3HG2 VAL 46 -2.369 -4.810 -7.200 381 H LEU 47 H LEU 47 -6.283 -6.114 -2.977 382 HA LEU 47 HA LEU 47 -4.586 -7.260 -0.926 383 1HB LEU 47 2HB LEU 47 -7.596 -7.070 -1.112 384 2HB LEU 47 1HB LEU 47 -6.706 -7.663 0.276 385 HG LEU 47 HG LEU 47 -6.563 -4.846 -0.805 386 1HD1 LEU 47 1HD1 LEU 47 -7.924 -5.953 1.644 387 2HD1 LEU 47 2HD1 LEU 47 -8.729 -5.350 0.194 388 3HD1 LEU 47 3HD1 LEU 47 -7.803 -4.246 1.214 389 1HD2 LEU 47 1HD2 LEU 47 -4.487 -5.564 0.267 390 2HD2 LEU 47 2HD2 LEU 47 -5.394 -6.076 1.688 391 3HD2 LEU 47 3HD2 LEU 47 -5.331 -4.369 1.252 392 H LEU 48 H LEU 48 -3.698 -8.902 -2.302 393 HA LEU 48 HA LEU 48 -5.436 -11.272 -2.432 394 1HB LEU 48 2HB LEU 48 -3.362 -10.414 -4.455 395 2HB LEU 48 1HB LEU 48 -4.142 -11.984 -4.445 396 HG LEU 48 HG LEU 48 -5.576 -9.352 -4.817 397 1HD1 LEU 48 1HD1 LEU 48 -4.134 -9.837 -6.714 398 2HD1 LEU 48 2HD1 LEU 48 -5.825 -10.081 -7.152 399 3HD1 LEU 48 3HD1 LEU 48 -4.793 -11.469 -6.816 400 1HD2 LEU 48 1HD2 LEU 48 -6.972 -11.095 -3.805 401 2HD2 LEU 48 2HD2 LEU 48 -6.537 -12.198 -5.111 402 3HD2 LEU 48 3HD2 LEU 48 -7.476 -10.748 -5.459 403 H ILE 49 H ILE 49 -4.508 -13.178 -1.775 404 HA ILE 49 HA ILE 49 -2.277 -12.942 -0.013 405 HB ILE 49 HB ILE 49 -3.666 -15.448 -0.978 406 1HG1 ILE 49 2HG1 ILE 49 -4.168 -13.821 1.527 407 2HG1 ILE 49 1HG1 ILE 49 -5.189 -13.787 0.093 408 1HG2 ILE 49 1HG2 ILE 49 -1.909 -14.958 1.427 409 2HG2 ILE 49 2HG2 ILE 49 -1.502 -15.921 0.009 410 3HG2 ILE 49 3HG2 ILE 49 -2.788 -16.447 1.092 411 1HD1 ILE 49 1HD1 ILE 49 -4.671 -16.174 1.844 412 2HD1 ILE 49 2HD1 ILE 49 -5.678 -16.159 0.393 413 3HD1 ILE 49 3HD1 ILE 49 -6.143 -15.202 1.800 414 H ASP 50 H ASP 50 -2.839 -14.339 -3.178 415 HA ASP 50 HA ASP 50 -0.296 -15.535 -3.520 416 1HB ASP 50 2HB ASP 50 -2.210 -16.192 -4.875 417 2HB ASP 50 1HB ASP 50 -2.323 -14.572 -5.552 418 H GLU 51 H GLU 51 -1.450 -12.297 -3.864 419 HA GLU 51 HA GLU 51 0.820 -11.469 -5.494 420 1HB GLU 51 2HB GLU 51 -1.708 -10.715 -5.670 421 2HB GLU 51 1HB GLU 51 -1.219 -9.557 -4.441 422 1HG GLU 51 2HG GLU 51 -1.043 -8.510 -6.574 423 2HG GLU 51 1HG GLU 51 0.588 -8.795 -5.964 424 H ALA 52 H ALA 52 0.093 -11.820 -2.253 425 HA ALA 52 HA ALA 52 1.246 -9.461 -1.172 426 1HB ALA 52 1HB ALA 52 -0.337 -10.858 0.078 427 2HB ALA 52 2HB ALA 52 1.174 -10.621 0.958 428 3HB ALA 52 3HB ALA 52 0.865 -12.149 0.132 429 H THR 53 H THR 53 3.298 -8.922 -0.997 430 HA THR 53 HA THR 53 5.345 -10.983 -1.466 431 HB THR 53 HB THR 53 5.707 -7.989 -1.622 432 HG1 THR 53 1HG THR 53 4.164 -9.306 -3.183 433 1HG2 THR 53 1HG2 THR 53 7.307 -10.287 -2.756 434 2HG2 THR 53 2HG2 THR 53 7.781 -9.252 -1.407 435 3HG2 THR 53 3HG2 THR 53 7.639 -8.581 -3.033 436 H GLU 54 H GLU 54 7.246 -10.979 -0.135 437 HA GLU 54 HA GLU 54 6.702 -10.368 2.616 438 1HB GLU 54 2HB GLU 54 7.932 -12.407 1.933 439 2HB GLU 54 1HB GLU 54 9.241 -11.400 1.335 440 1HG GLU 54 2HG GLU 54 9.787 -10.659 3.518 441 2HG GLU 54 1HG GLU 54 8.322 -11.372 4.193 442 H TRP 55 H TRP 55 7.250 -8.585 3.697 443 HA TRP 55 HA TRP 55 9.216 -6.751 2.545 444 1HB TRP 55 2HB TRP 55 6.897 -6.255 1.635 445 2HB TRP 55 1HB TRP 55 6.435 -5.830 3.279 446 HD1 TRP 55 HD TRP 55 7.145 -3.470 4.169 447 HE1 TRP 55 1HE TRP 55 8.252 -1.419 3.075 448 HE3 TRP 55 3HE TRP 55 8.714 -5.632 -0.191 449 HZ2 TRP 55 2HZ TRP 55 9.608 -0.805 0.677 450 HZ3 TRP 55 3HZ TRP 55 9.911 -4.245 -1.833 451 HH2 TRP 55 HH TRP 55 10.347 -1.878 -1.403 452 H THR 56 H THR 56 10.017 -5.222 4.024 453 HA THR 56 HA THR 56 10.863 -4.563 6.004 454 HB THR 56 HB THR 56 8.147 -5.320 7.068 455 HG1 THR 56 1HG THR 56 9.149 -2.770 6.263 456 1HG2 THR 56 1HG2 THR 56 8.636 -3.768 8.897 457 2HG2 THR 56 2HG2 THR 56 10.245 -3.485 8.236 458 3HG2 THR 56 3HG2 THR 56 9.815 -5.078 8.858 459 HA PRO 57 HA PRO 57 12.015 -8.784 7.376 460 1HB PRO 57 2HB PRO 57 14.745 -7.814 7.137 461 2HB PRO 57 1HB PRO 57 13.964 -9.143 6.279 462 1HG PRO 57 2HG PRO 57 14.712 -6.828 5.061 463 2HG PRO 57 1HG PRO 57 13.344 -7.816 4.517 464 1HD PRO 57 2HD PRO 57 13.341 -5.321 6.175 465 2HD PRO 57 1HD PRO 57 12.261 -5.789 4.843 466 H ASN 58 H ASN 58 11.671 -8.852 9.510 467 HA ASN 58 HA ASN 58 12.571 -6.743 11.263 468 1HB ASN 58 2HB ASN 58 10.359 -7.971 11.482 469 2HB ASN 58 1HB ASN 58 11.273 -9.362 12.044 470 1HD2 ASN 58 1HD2 ASN 58 12.182 -9.333 14.101 471 2HD2 ASN 58 2HD2 ASN 58 11.784 -8.121 15.270 472 H ASN 59 H ASN 59 13.819 -7.198 13.232 473 HA ASN 59 HA ASN 59 16.236 -8.542 12.730 474 1HB ASN 59 2HB ASN 59 14.979 -7.347 15.167 475 2HB ASN 59 1HB ASN 59 16.400 -8.372 15.355 476 1HD2 ASN 59 1HD2 ASN 59 17.653 -6.685 16.085 477 2HD2 ASN 59 2HD2 ASN 59 18.227 -5.430 15.034 478 H LEU 60 H LEU 60 17.139 -10.359 13.847 479 HA LEU 60 HA LEU 60 15.347 -12.587 13.937 480 1HB LEU 60 2HB LEU 60 18.274 -12.392 14.664 481 2HB LEU 60 1HB LEU 60 17.371 -13.888 14.516 482 HG LEU 60 HG LEU 60 17.905 -11.944 12.264 483 1HD1 LEU 60 1HD1 LEU 60 19.412 -13.632 11.412 484 2HD1 LEU 60 2HD1 LEU 60 19.078 -14.664 12.802 485 3HD1 LEU 60 3HD1 LEU 60 19.912 -13.127 13.027 486 1HD2 LEU 60 1HD2 LEU 60 15.787 -13.136 12.015 487 2HD2 LEU 60 2HD2 LEU 60 16.623 -14.673 12.238 488 3HD2 LEU 60 3HD2 LEU 60 16.974 -13.673 10.828 489 H GLU 61 H GLU 61 13.916 -12.274 15.586 490 HA GLU 61 HA GLU 61 14.754 -11.724 18.273 491 1HB GLU 61 2HB GLU 61 12.101 -12.833 17.336 492 2HB GLU 61 1HB GLU 61 12.433 -12.048 18.873 493 1HG GLU 61 2HG GLU 61 12.946 -9.964 17.646 494 2HG GLU 61 1HG GLU 61 12.466 -10.769 16.152 Start of MODEL 20 1 1H MET 1 1HT MET 1 -9.432 21.595 9.185 2 2H MET 1 2HT MET 1 -7.853 22.217 9.153 3 3H MET 1 3HT MET 1 -8.248 20.954 10.217 4 HA MET 1 HA MET 1 -8.289 20.798 7.263 5 1HB MET 1 2HB MET 1 -6.005 20.980 8.184 6 2HB MET 1 1HB MET 1 -6.328 19.619 9.248 7 1HG MET 1 2HG MET 1 -6.618 18.164 7.306 8 2HG MET 1 1HG MET 1 -6.307 19.534 6.240 9 1HE MET 1 1HE MET 1 -3.960 21.069 7.773 10 2HE MET 1 2HE MET 1 -3.999 20.765 6.035 11 3HE MET 1 3HE MET 1 -2.564 20.346 6.971 12 H SER 2 H SER 2 -8.007 18.758 10.174 13 HA SER 2 HA SER 2 -8.933 16.786 10.772 14 1HB SER 2 2HB SER 2 -11.007 18.205 10.610 15 2HB SER 2 1HB SER 2 -11.246 17.570 8.983 16 HG SER 2 HG SER 2 -12.332 16.100 10.057 17 H LEU 3 H LEU 3 -10.397 14.872 9.532 18 HA LEU 3 HA LEU 3 -8.893 14.217 7.089 19 1HB LEU 3 2HB LEU 3 -7.953 13.034 9.053 20 2HB LEU 3 1HB LEU 3 -9.531 12.342 9.374 21 HG LEU 3 HG LEU 3 -9.410 11.209 7.138 22 1HD1 LEU 3 1HD1 LEU 3 -7.250 11.012 6.059 23 2HD1 LEU 3 2HD1 LEU 3 -6.540 12.117 7.236 24 3HD1 LEU 3 3HD1 LEU 3 -7.771 12.695 6.111 25 1HD2 LEU 3 1HD2 LEU 3 -7.866 9.468 7.896 26 2HD2 LEU 3 2HD2 LEU 3 -8.925 10.016 9.194 27 3HD2 LEU 3 3HD2 LEU 3 -7.249 10.561 9.136 28 H ASP 4 H ASP 4 -10.024 12.829 5.614 29 HA ASP 4 HA ASP 4 -12.914 12.658 6.151 30 1HB ASP 4 2HB ASP 4 -11.989 14.066 4.150 31 2HB ASP 4 1HB ASP 4 -11.789 12.494 3.380 32 HA PRO 5 HA PRO 5 -11.316 8.402 6.493 33 1HB PRO 5 2HB PRO 5 -13.615 7.472 7.699 34 2HB PRO 5 1HB PRO 5 -12.232 8.161 8.554 35 1HG PRO 5 2HG PRO 5 -14.812 9.447 7.768 36 2HG PRO 5 1HG PRO 5 -13.877 9.626 9.264 37 1HD PRO 5 2HD PRO 5 -13.825 11.495 7.342 38 2HD PRO 5 1HD PRO 5 -12.379 11.107 8.300 39 H GLN 6 H GLN 6 -14.121 9.613 4.874 40 HA GLN 6 HA GLN 6 -15.095 7.125 3.886 41 1HB GLN 6 2HB GLN 6 -16.498 9.124 3.969 42 2HB GLN 6 1HB GLN 6 -15.445 9.929 2.815 43 1HG GLN 6 2HG GLN 6 -16.072 8.379 1.087 44 2HG GLN 6 1HG GLN 6 -17.022 7.434 2.234 45 1HE2 GLN 6 1HE2 GLN 6 -18.991 8.184 2.916 46 2HE2 GLN 6 2HE2 GLN 6 -19.817 9.494 2.141 47 H LEU 7 H LEU 7 -12.597 9.326 2.882 48 HA LEU 7 HA LEU 7 -12.288 7.995 0.307 49 1HB LEU 7 2HB LEU 7 -11.028 10.431 1.541 50 2HB LEU 7 1HB LEU 7 -10.391 9.713 0.076 51 HG LEU 7 HG LEU 7 -12.654 10.049 -0.968 52 1HD1 LEU 7 1HD1 LEU 7 -13.124 11.749 1.471 53 2HD1 LEU 7 2HD1 LEU 7 -13.980 10.263 1.060 54 3HD1 LEU 7 3HD1 LEU 7 -14.149 11.689 0.036 55 1HD2 LEU 7 1HD2 LEU 7 -12.294 12.431 -1.385 56 2HD2 LEU 7 2HD2 LEU 7 -10.777 11.530 -1.422 57 3HD2 LEU 7 3HD2 LEU 7 -11.193 12.502 -0.009 58 H LEU 8 H LEU 8 -11.588 6.918 3.113 59 HA LEU 8 HA LEU 8 -9.013 5.781 2.295 60 1HB LEU 8 2HB LEU 8 -9.622 6.986 4.994 61 2HB LEU 8 1HB LEU 8 -8.285 5.887 4.718 62 HG LEU 8 HG LEU 8 -8.622 8.560 3.352 63 1HD1 LEU 8 1HD1 LEU 8 -6.790 9.295 4.793 64 2HD1 LEU 8 2HD1 LEU 8 -6.807 7.735 5.617 65 3HD1 LEU 8 3HD1 LEU 8 -8.198 8.814 5.745 66 1HD2 LEU 8 1HD2 LEU 8 -6.329 6.600 3.393 67 2HD2 LEU 8 2HD2 LEU 8 -6.300 8.198 2.646 68 3HD2 LEU 8 3HD2 LEU 8 -7.374 6.947 2.016 69 H GLU 9 H GLU 9 -11.511 5.662 4.807 70 HA GLU 9 HA GLU 9 -12.708 4.003 5.735 71 1HB GLU 9 2HB GLU 9 -11.850 2.446 3.295 72 2HB GLU 9 1HB GLU 9 -13.051 1.897 4.459 73 1HG GLU 9 2HG GLU 9 -14.426 3.873 3.934 74 2HG GLU 9 1HG GLU 9 -13.238 4.352 2.724 75 H VAL 10 H VAL 10 -12.492 1.547 6.420 76 HA VAL 10 HA VAL 10 -10.004 1.440 7.881 77 HB VAL 10 HB VAL 10 -12.307 -0.514 7.958 78 1HG1 VAL 10 1HG1 VAL 10 -10.018 -0.045 9.868 79 2HG1 VAL 10 2HG1 VAL 10 -10.239 -1.447 8.823 80 3HG1 VAL 10 3HG1 VAL 10 -11.369 -1.144 10.142 81 1HG2 VAL 10 1HG2 VAL 10 -13.095 1.692 8.577 82 2HG2 VAL 10 2HG2 VAL 10 -11.750 1.887 9.703 83 3HG2 VAL 10 3HG2 VAL 10 -12.989 0.670 10.010 84 H LEU 11 H LEU 11 -8.398 0.895 6.515 85 HA LEU 11 HA LEU 11 -8.613 -1.340 4.716 86 1HB LEU 11 2HB LEU 11 -6.197 0.258 5.580 87 2HB LEU 11 1HB LEU 11 -6.230 -0.908 4.269 88 HG LEU 11 HG LEU 11 -7.803 1.669 4.354 89 1HD1 LEU 11 1HD1 LEU 11 -6.271 2.379 2.567 90 2HD1 LEU 11 2HD1 LEU 11 -5.341 0.899 2.795 91 3HD1 LEU 11 3HD1 LEU 11 -5.433 2.091 4.090 92 1HD2 LEU 11 1HD2 LEU 11 -7.483 -0.367 2.152 93 2HD2 LEU 11 2HD2 LEU 11 -8.340 1.169 2.031 94 3HD2 LEU 11 3HD2 LEU 11 -8.943 -0.092 3.105 95 H ALA 12 H ALA 12 -8.779 -3.287 5.584 96 HA ALA 12 HA ALA 12 -7.058 -3.932 7.885 97 1HB ALA 12 1HB ALA 12 -9.456 -3.887 8.437 98 2HB ALA 12 2HB ALA 12 -8.757 -5.495 8.620 99 3HB ALA 12 3HB ALA 12 -9.745 -5.122 7.210 100 H CYS 13 H CYS 13 -6.253 -6.064 8.020 101 HA CYS 13 HA CYS 13 -5.188 -7.084 5.625 102 1HB CYS 13 2HB CYS 13 -5.439 -8.535 8.263 103 2HB CYS 13 1HB CYS 13 -4.240 -8.809 7.002 104 HG CYS 13 HG CYS 13 -4.468 -5.953 8.880 105 HA PRO 14 HA PRO 14 -8.410 -9.694 4.147 106 1HB PRO 14 2HB PRO 14 -6.977 -11.639 2.893 107 2HB PRO 14 1HB PRO 14 -7.182 -10.009 2.242 108 1HG PRO 14 2HG PRO 14 -4.866 -11.176 3.736 109 2HG PRO 14 1HG PRO 14 -4.865 -10.106 2.321 110 1HD PRO 14 2HD PRO 14 -4.406 -9.213 4.834 111 2HD PRO 14 1HD PRO 14 -5.194 -8.221 3.590 112 H LYS 15 H LYS 15 -5.904 -11.140 6.158 113 HA LYS 15 HA LYS 15 -7.622 -13.484 6.567 114 1HB LYS 15 2HB LYS 15 -5.333 -13.962 5.825 115 2HB LYS 15 1HB LYS 15 -4.697 -13.130 7.240 116 1HG LYS 15 2HG LYS 15 -5.470 -14.798 8.701 117 2HG LYS 15 1HG LYS 15 -6.539 -15.488 7.482 118 1HD LYS 15 2HD LYS 15 -3.522 -15.519 7.368 119 2HD LYS 15 1HD LYS 15 -4.540 -16.870 7.877 120 1HE LYS 15 2HE LYS 15 -5.654 -16.743 5.625 121 2HE LYS 15 1HE LYS 15 -4.414 -15.584 5.153 122 1HZ LYS 15 1HZ LYS 15 -2.734 -17.302 5.638 123 2HZ LYS 15 2HZ LYS 15 -3.811 -17.779 4.419 124 3HZ LYS 15 3HZ LYS 15 -3.979 -18.402 5.985 125 H ASP 16 H ASP 16 -5.294 -11.774 8.687 126 HA ASP 16 HA ASP 16 -6.852 -12.383 11.006 127 1HB ASP 16 2HB ASP 16 -5.189 -11.019 12.218 128 2HB ASP 16 1HB ASP 16 -4.432 -12.211 11.167 129 H LYS 17 H LYS 17 -6.670 -9.750 8.800 130 HA LYS 17 HA LYS 17 -7.960 -7.945 8.446 131 1HB LYS 17 2HB LYS 17 -9.728 -9.225 10.521 132 2HB LYS 17 1HB LYS 17 -10.170 -7.794 9.601 133 1HG LYS 17 2HG LYS 17 -9.620 -9.315 7.545 134 2HG LYS 17 1HG LYS 17 -9.894 -10.619 8.704 135 1HD LYS 17 2HD LYS 17 -11.950 -10.093 7.514 136 2HD LYS 17 1HD LYS 17 -12.101 -9.674 9.223 137 1HE LYS 17 2HE LYS 17 -11.592 -7.333 8.673 138 2HE LYS 17 1HE LYS 17 -11.496 -7.761 6.968 139 1HZ LYS 17 1HZ LYS 17 -13.802 -8.353 6.978 140 2HZ LYS 17 2HZ LYS 17 -13.643 -6.790 7.626 141 3HZ LYS 17 3HZ LYS 17 -13.915 -8.103 8.652 142 H GLY 18 H GLY 18 -5.853 -7.949 10.587 143 1HA GLY 18 2HA GLY 18 -6.720 -5.883 12.401 144 2HA GLY 18 1HA GLY 18 -5.061 -6.402 12.122 145 HA PRO 19 HA PRO 19 -6.163 -2.258 9.950 146 1HB PRO 19 2HB PRO 19 -4.673 -0.630 11.577 147 2HB PRO 19 1HB PRO 19 -6.408 -0.900 11.768 148 1HG PRO 19 2HG PRO 19 -4.119 -2.159 13.225 149 2HG PRO 19 1HG PRO 19 -5.676 -1.590 13.857 150 1HD PRO 19 2HD PRO 19 -5.189 -4.202 13.408 151 2HD PRO 19 1HD PRO 19 -6.794 -3.487 13.162 152 H LEU 20 H LEU 20 -4.934 -2.256 8.207 153 HA LEU 20 HA LEU 20 -2.236 -3.137 8.143 154 1HB LEU 20 2HB LEU 20 -3.975 -1.709 6.143 155 2HB LEU 20 1HB LEU 20 -2.320 -2.169 5.795 156 HG LEU 20 HG LEU 20 -4.428 -4.167 6.608 157 1HD1 LEU 20 1HD1 LEU 20 -3.530 -3.393 3.832 158 2HD1 LEU 20 2HD1 LEU 20 -5.116 -3.062 4.529 159 3HD1 LEU 20 3HD1 LEU 20 -4.611 -4.726 4.235 160 1HD2 LEU 20 1HD2 LEU 20 -2.099 -4.844 6.946 161 2HD2 LEU 20 2HD2 LEU 20 -1.739 -4.445 5.266 162 3HD2 LEU 20 3HD2 LEU 20 -2.848 -5.765 5.639 163 H ARG 21 H ARG 21 -0.337 -2.000 8.005 164 HA ARG 21 HA ARG 21 -0.439 0.763 8.887 165 1HB ARG 21 2HB ARG 21 1.237 -0.746 9.879 166 2HB ARG 21 1HB ARG 21 1.948 -0.999 8.289 167 1HG ARG 21 2HG ARG 21 2.565 1.335 8.154 168 2HG ARG 21 1HG ARG 21 1.782 1.652 9.703 169 1HD ARG 21 2HD ARG 21 3.364 0.145 10.808 170 2HD ARG 21 1HD ARG 21 4.148 -0.165 9.258 171 HE ARG 21 HE ARG 21 4.236 2.544 9.492 172 1HH1 ARG 21 1HH1 ARG 21 5.290 -0.100 11.550 173 2HH1 ARG 21 2HH1 ARG 21 6.599 0.798 12.253 174 1HH2 ARG 21 1HH2 ARG 21 5.935 3.727 10.433 175 2HH2 ARG 21 2HH2 ARG 21 6.941 2.996 11.648 176 H TYR 22 H TYR 22 -0.226 2.465 7.614 177 HA TYR 22 HA TYR 22 -0.048 1.995 4.747 178 1HB TYR 22 2HB TYR 22 -1.885 3.358 5.833 179 2HB TYR 22 1HB TYR 22 -0.669 4.565 6.217 180 HD1 TYR 22 1HD TYR 22 -2.989 3.393 3.787 181 HD2 TYR 22 2HD TYR 22 0.608 5.622 4.244 182 HE1 TYR 22 1HE TYR 22 -3.386 4.478 1.617 183 HE2 TYR 22 2HE TYR 22 0.215 6.709 2.077 184 HH TYR 22 HH TYR 22 -2.778 6.444 0.411 185 H LEU 23 H LEU 23 1.790 2.330 3.668 186 HA LEU 23 HA LEU 23 3.821 4.094 4.866 187 1HB LEU 23 2HB LEU 23 4.008 1.740 3.017 188 2HB LEU 23 1HB LEU 23 5.289 2.934 3.047 189 HG LEU 23 HG LEU 23 5.562 2.483 5.499 190 1HD1 LEU 23 1HD1 LEU 23 4.624 0.417 6.404 191 2HD1 LEU 23 2HD1 LEU 23 3.700 0.185 4.920 192 3HD1 LEU 23 3HD1 LEU 23 3.358 1.564 5.964 193 1HD2 LEU 23 1HD2 LEU 23 5.921 0.129 3.653 194 2HD2 LEU 23 2HD2 LEU 23 6.750 0.381 5.187 195 3HD2 LEU 23 3HD2 LEU 23 7.038 1.481 3.840 196 H GLU 24 H GLU 24 3.838 6.064 4.066 197 HA GLU 24 HA GLU 24 2.500 6.888 1.729 198 1HB GLU 24 2HB GLU 24 4.782 8.284 3.134 199 2HB GLU 24 1HB GLU 24 3.634 9.029 2.038 200 1HG GLU 24 2HG GLU 24 2.923 7.802 4.689 201 2HG GLU 24 1HG GLU 24 3.209 9.519 4.413 202 H SER 25 H SER 25 5.714 5.727 2.265 203 HA SER 25 HA SER 25 7.211 6.934 0.325 204 1HB SER 25 2HB SER 25 7.475 4.029 1.108 205 2HB SER 25 1HB SER 25 8.756 5.112 0.557 206 HG SER 25 HG SER 25 8.152 6.413 2.498 207 H GLU 26 H GLU 26 5.924 3.618 -0.145 208 HA GLU 26 HA GLU 26 5.903 4.232 -3.025 209 1HB GLU 26 2HB GLU 26 6.327 1.545 -1.705 210 2HB GLU 26 1HB GLU 26 6.368 1.869 -3.433 211 1HG GLU 26 2HG GLU 26 8.289 3.400 -3.027 212 2HG GLU 26 1HG GLU 26 8.294 2.860 -1.349 213 H GLN 27 H GLN 27 3.746 4.406 -0.865 214 HA GLN 27 HA GLN 27 1.515 3.990 -0.643 215 1HB GLN 27 2HB GLN 27 1.825 3.354 -3.583 216 2HB GLN 27 1HB GLN 27 0.272 3.435 -2.766 217 1HG GLN 27 2HG GLN 27 2.192 5.741 -2.760 218 2HG GLN 27 1HG GLN 27 1.032 5.486 -4.065 219 1HE2 GLN 27 1HE2 GLN 27 1.270 7.646 -2.057 220 2HE2 GLN 27 2HE2 GLN 27 -0.263 7.713 -1.260 221 H LEU 28 H LEU 28 2.469 2.147 0.680 222 HA LEU 28 HA LEU 28 1.547 -0.427 -0.402 223 1HB LEU 28 2HB LEU 28 4.066 0.098 1.174 224 2HB LEU 28 1HB LEU 28 3.425 -1.503 0.860 225 HG LEU 28 HG LEU 28 4.360 0.442 -1.257 226 1HD1 LEU 28 1HD1 LEU 28 6.243 -1.066 -1.532 227 2HD1 LEU 28 2HD1 LEU 28 5.652 -2.072 -0.211 228 3HD1 LEU 28 3HD1 LEU 28 6.194 -0.425 0.109 229 1HD2 LEU 28 1HD2 LEU 28 3.470 -2.434 -1.461 230 2HD2 LEU 28 2HD2 LEU 28 4.138 -1.463 -2.774 231 3HD2 LEU 28 3HD2 LEU 28 2.589 -1.026 -2.054 232 H LEU 29 H LEU 29 0.595 -1.825 1.019 233 HA LEU 29 HA LEU 29 0.095 -0.820 3.745 234 1HB LEU 29 2HB LEU 29 -1.544 -2.748 2.088 235 2HB LEU 29 1HB LEU 29 -1.932 -2.211 3.711 236 HG LEU 29 HG LEU 29 -1.810 -0.409 1.289 237 1HD1 LEU 29 1HD1 LEU 29 -4.184 -1.548 2.761 238 2HD1 LEU 29 2HD1 LEU 29 -3.665 -1.984 1.134 239 3HD1 LEU 29 3HD1 LEU 29 -4.250 -0.353 1.461 240 1HD2 LEU 29 1HD2 LEU 29 -2.882 1.223 2.773 241 2HD2 LEU 29 2HD2 LEU 29 -1.290 0.748 3.365 242 3HD2 LEU 29 3HD2 LEU 29 -2.742 0.086 4.117 243 H VAL 30 H VAL 30 1.151 -1.921 5.300 244 HA VAL 30 HA VAL 30 2.214 -4.574 4.566 245 HB VAL 30 HB VAL 30 3.328 -2.621 6.587 246 1HG1 VAL 30 1HG1 VAL 30 5.290 -4.103 6.585 247 2HG1 VAL 30 2HG1 VAL 30 4.448 -5.201 5.492 248 3HG1 VAL 30 3HG1 VAL 30 3.838 -4.944 7.127 249 1HG2 VAL 30 1HG2 VAL 30 4.285 -3.287 3.806 250 2HG2 VAL 30 2HG2 VAL 30 5.119 -2.244 4.959 251 3HG2 VAL 30 3HG2 VAL 30 3.547 -1.765 4.314 252 H ASN 31 H ASN 31 1.749 -6.286 5.771 253 HA ASN 31 HA ASN 31 0.129 -5.856 8.185 254 1HB ASN 31 2HB ASN 31 -1.087 -7.073 6.490 255 2HB ASN 31 1HB ASN 31 0.232 -8.225 6.305 256 1HD2 ASN 31 1HD2 ASN 31 -1.468 -9.803 6.708 257 2HD2 ASN 31 2HD2 ASN 31 -1.934 -10.160 8.340 258 H GLU 32 H GLU 32 0.961 -6.297 10.038 259 HA GLU 32 HA GLU 32 3.587 -7.203 10.444 260 1HB GLU 32 2HB GLU 32 2.413 -5.742 12.010 261 2HB GLU 32 1HB GLU 32 1.250 -7.013 12.355 262 1HG GLU 32 2HG GLU 32 3.232 -8.378 13.185 263 2HG GLU 32 1HG GLU 32 4.143 -6.868 13.133 264 H ARG 33 H ARG 33 0.477 -8.867 10.562 265 HA ARG 33 HA ARG 33 1.466 -11.070 12.084 266 1HB ARG 33 2HB ARG 33 -1.120 -10.650 10.590 267 2HB ARG 33 1HB ARG 33 -0.771 -12.101 11.518 268 1HG ARG 33 2HG ARG 33 -2.026 -10.793 12.969 269 2HG ARG 33 1HG ARG 33 -0.364 -10.515 13.488 270 1HD ARG 33 2HD ARG 33 -0.372 -8.452 12.060 271 2HD ARG 33 1HD ARG 33 -2.104 -8.701 11.832 272 HE ARG 33 HE ARG 33 -0.765 -8.051 14.370 273 1HH1 ARG 33 1HH1 ARG 33 -3.694 -8.362 12.460 274 2HH1 ARG 33 2HH1 ARG 33 -4.688 -7.584 13.662 275 1HH2 ARG 33 1HH2 ARG 33 -2.058 -6.990 15.905 276 2HH2 ARG 33 2HH2 ARG 33 -3.756 -6.760 15.591 277 H LEU 34 H LEU 34 1.546 -10.366 8.739 278 HA LEU 34 HA LEU 34 2.094 -13.205 8.179 279 1HB LEU 34 2HB LEU 34 0.755 -11.165 6.409 280 2HB LEU 34 1HB LEU 34 1.327 -12.720 5.833 281 HG LEU 34 HG LEU 34 -0.808 -12.300 7.934 282 1HD1 LEU 34 1HD1 LEU 34 -1.551 -11.700 5.690 283 2HD1 LEU 34 2HD1 LEU 34 -2.323 -13.189 6.239 284 3HD1 LEU 34 3HD1 LEU 34 -0.994 -13.257 5.082 285 1HD2 LEU 34 1HD2 LEU 34 0.491 -14.333 8.332 286 2HD2 LEU 34 2HD2 LEU 34 0.229 -14.834 6.662 287 3HD2 LEU 34 3HD2 LEU 34 -1.138 -14.720 7.771 288 H ASN 35 H ASN 35 3.487 -10.204 8.392 289 HA ASN 35 HA ASN 35 5.458 -9.287 7.702 290 1HB ASN 35 2HB ASN 35 6.269 -11.551 8.495 291 2HB ASN 35 1HB ASN 35 6.201 -12.092 6.822 292 1HD2 ASN 35 1HD2 ASN 35 7.195 -8.901 7.882 293 2HD2 ASN 35 2HD2 ASN 35 8.842 -9.041 7.385 294 H LEU 36 H LEU 36 3.206 -9.483 5.855 295 HA LEU 36 HA LEU 36 4.635 -9.504 3.279 296 1HB LEU 36 2HB LEU 36 1.753 -10.208 3.838 297 2HB LEU 36 1HB LEU 36 2.465 -10.099 2.241 298 HG LEU 36 HG LEU 36 3.262 -12.088 4.373 299 1HD1 LEU 36 1HD1 LEU 36 1.691 -12.445 1.827 300 2HD1 LEU 36 2HD1 LEU 36 1.055 -12.556 3.468 301 3HD1 LEU 36 3HD1 LEU 36 2.230 -13.742 2.893 302 1HD2 LEU 36 1HD2 LEU 36 4.598 -13.121 2.611 303 2HD2 LEU 36 2HD2 LEU 36 5.131 -11.468 2.924 304 3HD2 LEU 36 3HD2 LEU 36 4.151 -11.826 1.501 305 H ALA 37 H ALA 37 3.889 -8.007 1.687 306 HA ALA 37 HA ALA 37 2.422 -5.709 2.806 307 1HB ALA 37 1HB ALA 37 3.733 -4.250 1.362 308 2HB ALA 37 2HB ALA 37 4.629 -5.642 0.753 309 3HB ALA 37 3HB ALA 37 4.780 -5.167 2.445 310 H TYR 38 H TYR 38 0.707 -5.027 1.715 311 HA TYR 38 HA TYR 38 -0.021 -6.526 -0.686 312 1HB TYR 38 2HB TYR 38 -1.727 -4.780 1.111 313 2HB TYR 38 1HB TYR 38 -2.311 -5.774 -0.224 314 HD1 TYR 38 1HD TYR 38 -1.235 -5.741 3.240 315 HD2 TYR 38 2HD TYR 38 -2.197 -8.250 -0.059 316 HE1 TYR 38 1HE TYR 38 -1.417 -7.658 4.760 317 HE2 TYR 38 2HE TYR 38 -2.387 -10.180 1.458 318 HH TYR 38 HH TYR 38 -1.539 -10.856 3.672 319 H ARG 39 H ARG 39 -0.505 -5.544 -2.591 320 HA ARG 39 HA ARG 39 0.984 -3.070 -2.912 321 1HB ARG 39 2HB ARG 39 -0.079 -4.941 -5.033 322 2HB ARG 39 1HB ARG 39 1.152 -3.702 -5.235 323 1HG ARG 39 2HG ARG 39 2.720 -4.922 -3.932 324 2HG ARG 39 1HG ARG 39 1.484 -6.066 -3.410 325 1HD ARG 39 2HD ARG 39 2.833 -7.104 -5.106 326 2HD ARG 39 1HD ARG 39 1.231 -6.791 -5.769 327 HE ARG 39 HE ARG 39 2.884 -4.611 -6.385 328 1HH1 ARG 39 1HH1 ARG 39 2.534 -8.016 -7.206 329 2HH1 ARG 39 2HH1 ARG 39 3.268 -7.839 -8.773 330 1HH2 ARG 39 1HH2 ARG 39 3.814 -4.384 -8.446 331 2HH2 ARG 39 2HH2 ARG 39 4.004 -5.770 -9.476 332 H ILE 40 H ILE 40 0.159 -1.209 -3.722 333 HA ILE 40 HA ILE 40 -2.736 -1.169 -4.299 334 HB ILE 40 HB ILE 40 -0.936 1.149 -3.537 335 1HG1 ILE 40 2HG1 ILE 40 -3.074 -0.249 -1.914 336 2HG1 ILE 40 1HG1 ILE 40 -1.342 -0.445 -1.678 337 1HG2 ILE 40 1HG2 ILE 40 -2.781 1.817 -4.984 338 2HG2 ILE 40 2HG2 ILE 40 -3.012 2.429 -3.345 339 3HG2 ILE 40 3HG2 ILE 40 -3.927 1.026 -3.901 340 1HD1 ILE 40 1HD1 ILE 40 -2.885 2.112 -1.337 341 2HD1 ILE 40 2HD1 ILE 40 -1.155 1.904 -1.072 342 3HD1 ILE 40 3HD1 ILE 40 -2.314 1.065 -0.041 343 H ASP 41 H ASP 41 -3.135 -1.195 -6.413 344 HA ASP 41 HA ASP 41 -1.057 -0.139 -8.208 345 1HB ASP 41 2HB ASP 41 -1.675 -2.595 -8.349 346 2HB ASP 41 1HB ASP 41 -3.252 -2.084 -8.940 347 H ASP 42 H ASP 42 -1.594 1.927 -8.415 348 HA ASP 42 HA ASP 42 -2.702 3.817 -8.969 349 1HB ASP 42 2HB ASP 42 -2.508 2.705 -11.188 350 2HB ASP 42 1HB ASP 42 -4.125 2.043 -10.960 351 H GLY 43 H GLY 43 -3.727 3.437 -6.758 352 1HA GLY 43 2HA GLY 43 -5.572 4.242 -5.604 353 2HA GLY 43 1HA GLY 43 -6.487 4.192 -7.099 354 H ILE 44 H ILE 44 -5.380 1.231 -7.162 355 HA ILE 44 HA ILE 44 -7.651 0.193 -5.606 356 HB ILE 44 HB ILE 44 -6.231 -1.084 -7.951 357 1HG1 ILE 44 2HG1 ILE 44 -8.974 0.187 -7.795 358 2HG1 ILE 44 1HG1 ILE 44 -7.568 0.917 -8.557 359 1HG2 ILE 44 1HG2 ILE 44 -7.142 -2.724 -6.388 360 2HG2 ILE 44 2HG2 ILE 44 -8.056 -2.719 -7.897 361 3HG2 ILE 44 3HG2 ILE 44 -8.716 -1.933 -6.461 362 1HD1 ILE 44 1HD1 ILE 44 -9.032 -0.056 -10.212 363 2HD1 ILE 44 2HD1 ILE 44 -8.919 -1.624 -9.414 364 3HD1 ILE 44 3HD1 ILE 44 -7.491 -0.916 -10.169 365 HA PRO 45 HA PRO 45 -4.312 -1.621 -3.142 366 1HB PRO 45 2HB PRO 45 -6.364 -2.122 -1.155 367 2HB PRO 45 1HB PRO 45 -4.996 -1.012 -1.067 368 1HG PRO 45 2HG PRO 45 -7.594 -0.194 -1.216 369 2HG PRO 45 1HG PRO 45 -6.227 0.765 -1.813 370 1HD PRO 45 2HD PRO 45 -8.149 -0.952 -3.339 371 2HD PRO 45 1HD PRO 45 -7.475 0.636 -3.762 372 H VAL 46 H VAL 46 -3.807 -3.582 -3.900 373 HA VAL 46 HA VAL 46 -5.837 -5.636 -4.223 374 HB VAL 46 HB VAL 46 -2.861 -5.837 -4.734 375 1HG1 VAL 46 1HG1 VAL 46 -3.983 -7.987 -4.529 376 2HG1 VAL 46 2HG1 VAL 46 -3.473 -7.699 -6.193 377 3HG1 VAL 46 3HG1 VAL 46 -5.168 -7.497 -5.743 378 1HG2 VAL 46 1HG2 VAL 46 -5.059 -5.118 -6.675 379 2HG2 VAL 46 2HG2 VAL 46 -3.361 -5.375 -7.079 380 3HG2 VAL 46 3HG2 VAL 46 -3.827 -4.020 -6.054 381 H LEU 47 H LEU 47 -6.445 -6.389 -2.264 382 HA LEU 47 HA LEU 47 -4.436 -6.967 -0.232 383 1HB LEU 47 2HB LEU 47 -7.446 -7.195 -0.140 384 2HB LEU 47 1HB LEU 47 -6.368 -7.406 1.225 385 HG LEU 47 HG LEU 47 -6.809 -4.842 -0.308 386 1HD1 LEU 47 1HD1 LEU 47 -7.818 -4.051 1.772 387 2HD1 LEU 47 2HD1 LEU 47 -7.600 -5.648 2.487 388 3HD1 LEU 47 3HD1 LEU 47 -8.689 -5.437 1.116 389 1HD2 LEU 47 1HD2 LEU 47 -5.394 -3.810 1.389 390 2HD2 LEU 47 2HD2 LEU 47 -4.510 -5.029 0.471 391 3HD2 LEU 47 3HD2 LEU 47 -5.081 -5.393 2.099 392 H LEU 48 H LEU 48 -4.184 -8.565 -2.445 393 HA LEU 48 HA LEU 48 -5.315 -11.155 -1.680 394 1HB LEU 48 2HB LEU 48 -3.774 -10.326 -4.145 395 2HB LEU 48 1HB LEU 48 -4.373 -11.945 -3.841 396 HG LEU 48 HG LEU 48 -6.083 -9.479 -4.203 397 1HD1 LEU 48 1HD1 LEU 48 -5.648 -11.858 -6.002 398 2HD1 LEU 48 2HD1 LEU 48 -5.019 -10.233 -6.271 399 3HD1 LEU 48 3HD1 LEU 48 -6.758 -10.521 -6.295 400 1HD2 LEU 48 1HD2 LEU 48 -7.964 -11.040 -4.198 401 2HD2 LEU 48 2HD2 LEU 48 -7.102 -11.067 -2.658 402 3HD2 LEU 48 3HD2 LEU 48 -6.864 -12.369 -3.827 403 H ILE 49 H ILE 49 -4.169 -12.569 -0.579 404 HA ILE 49 HA ILE 49 -1.628 -11.936 0.453 405 HB ILE 49 HB ILE 49 -3.021 -14.622 0.400 406 1HG1 ILE 49 2HG1 ILE 49 -3.040 -12.440 2.496 407 2HG1 ILE 49 1HG1 ILE 49 -4.370 -12.834 1.414 408 1HG2 ILE 49 1HG2 ILE 49 -0.662 -14.847 0.918 409 2HG2 ILE 49 2HG2 ILE 49 -1.645 -15.159 2.350 410 3HG2 ILE 49 3HG2 ILE 49 -0.806 -13.616 2.173 411 1HD1 ILE 49 1HD1 ILE 49 -4.565 -15.024 2.443 412 2HD1 ILE 49 2HD1 ILE 49 -4.719 -13.736 3.639 413 3HD1 ILE 49 3HD1 ILE 49 -3.214 -14.649 3.513 414 H ASP 50 H ASP 50 -2.638 -13.831 -2.307 415 HA ASP 50 HA ASP 50 -0.115 -15.072 -2.766 416 1HB ASP 50 2HB ASP 50 -2.452 -14.636 -4.631 417 2HB ASP 50 1HB ASP 50 -1.076 -15.684 -4.964 418 H GLU 51 H GLU 51 -1.510 -12.013 -3.604 419 HA GLU 51 HA GLU 51 0.580 -11.420 -5.550 420 1HB GLU 51 2HB GLU 51 -1.796 -10.705 -5.913 421 2HB GLU 51 1HB GLU 51 -1.636 -9.626 -4.534 422 1HG GLU 51 2HG GLU 51 -1.355 -8.349 -6.526 423 2HG GLU 51 1HG GLU 51 0.213 -8.469 -5.729 424 H ALA 52 H ALA 52 0.095 -11.239 -2.243 425 HA ALA 52 HA ALA 52 1.549 -8.830 -1.707 426 1HB ALA 52 1HB ALA 52 0.883 -11.129 0.131 427 2HB ALA 52 2HB ALA 52 -0.113 -9.697 -0.128 428 3HB ALA 52 3HB ALA 52 1.475 -9.543 0.622 429 H THR 53 H THR 53 3.665 -8.589 -1.241 430 HA THR 53 HA THR 53 5.366 -10.965 -1.574 431 HB THR 53 HB THR 53 5.774 -9.323 -3.307 432 HG1 THR 53 1HG THR 53 7.976 -9.192 -3.052 433 1HG2 THR 53 1HG2 THR 53 6.367 -7.379 -1.077 434 2HG2 THR 53 2HG2 THR 53 4.986 -7.314 -2.172 435 3HG2 THR 53 3HG2 THR 53 6.619 -7.077 -2.797 436 H GLU 54 H GLU 54 7.390 -10.934 -0.341 437 HA GLU 54 HA GLU 54 6.843 -10.466 2.423 438 1HB GLU 54 2HB GLU 54 9.390 -11.301 1.022 439 2HB GLU 54 1HB GLU 54 9.210 -11.220 2.768 440 1HG GLU 54 2HG GLU 54 8.947 -13.479 2.183 441 2HG GLU 54 1HG GLU 54 7.329 -12.878 2.535 442 H TRP 55 H TRP 55 7.237 -8.708 3.592 443 HA TRP 55 HA TRP 55 9.190 -6.746 2.646 444 1HB TRP 55 2HB TRP 55 6.906 -6.177 1.729 445 2HB TRP 55 1HB TRP 55 6.356 -5.983 3.389 446 HD1 TRP 55 HD TRP 55 6.853 -3.707 4.556 447 HE1 TRP 55 1HE TRP 55 7.977 -1.518 3.804 448 HE3 TRP 55 3HE TRP 55 8.882 -5.317 0.157 449 HZ2 TRP 55 2HZ TRP 55 9.521 -0.596 1.630 450 HZ3 TRP 55 3HZ TRP 55 10.171 -3.720 -1.200 451 HH2 TRP 55 HH TRP 55 10.483 -1.408 -0.479 452 H THR 56 H THR 56 9.913 -5.333 4.275 453 HA THR 56 HA THR 56 10.536 -4.704 6.346 454 HB THR 56 HB THR 56 8.137 -6.228 7.330 455 HG1 THR 56 1HG THR 56 7.252 -4.630 6.199 456 1HG2 THR 56 1HG2 THR 56 9.750 -5.813 9.112 457 2HG2 THR 56 2HG2 THR 56 8.330 -4.791 9.325 458 3HG2 THR 56 3HG2 THR 56 9.817 -4.107 8.670 459 HA PRO 57 HA PRO 57 12.636 -8.702 6.972 460 1HB PRO 57 2HB PRO 57 15.106 -7.224 6.871 461 2HB PRO 57 1HB PRO 57 14.496 -8.407 5.714 462 1HG PRO 57 2HG PRO 57 14.780 -5.727 5.179 463 2HG PRO 57 1HG PRO 57 13.648 -6.798 4.334 464 1HD PRO 57 2HD PRO 57 13.133 -4.865 6.559 465 2HD PRO 57 1HD PRO 57 12.142 -5.229 5.129 466 H ASN 58 H ASN 58 13.720 -9.448 8.805 467 HA ASN 58 HA ASN 58 13.611 -7.648 11.100 468 1HB ASN 58 2HB ASN 58 12.532 -9.843 11.331 469 2HB ASN 58 1HB ASN 58 14.056 -10.644 10.957 470 1HD2 ASN 58 1HD2 ASN 58 14.243 -11.721 12.882 471 2HD2 ASN 58 2HD2 ASN 58 14.535 -10.925 14.387 472 H ASN 59 H ASN 59 15.400 -6.657 11.801 473 HA ASN 59 HA ASN 59 18.008 -7.386 10.902 474 1HB ASN 59 2HB ASN 59 17.470 -5.067 11.529 475 2HB ASN 59 1HB ASN 59 17.193 -5.571 13.192 476 1HD2 ASN 59 1HD2 ASN 59 19.592 -5.103 10.700 477 2HD2 ASN 59 2HD2 ASN 59 20.961 -5.074 11.754 478 H LEU 60 H LEU 60 18.360 -9.482 11.405 479 HA LEU 60 HA LEU 60 17.772 -10.575 13.958 480 1HB LEU 60 2HB LEU 60 19.100 -12.562 13.034 481 2HB LEU 60 1HB LEU 60 17.594 -12.126 12.256 482 HG LEU 60 HG LEU 60 19.005 -10.870 10.541 483 1HD1 LEU 60 1HD1 LEU 60 21.191 -12.534 11.776 484 2HD1 LEU 60 2HD1 LEU 60 21.088 -10.774 11.800 485 3HD1 LEU 60 3HD1 LEU 60 21.308 -11.624 10.270 486 1HD2 LEU 60 1HD2 LEU 60 17.896 -12.972 10.059 487 2HD2 LEU 60 2HD2 LEU 60 19.252 -13.863 10.752 488 3HD2 LEU 60 3HD2 LEU 60 19.479 -12.911 9.284 489 H GLU 61 H GLU 61 19.259 -11.590 15.371 490 HA GLU 61 HA GLU 61 21.369 -9.789 16.073 491 1HB GLU 61 2HB GLU 61 21.678 -11.421 17.995 492 2HB GLU 61 1HB GLU 61 20.109 -10.639 17.885 493 1HG GLU 61 2HG GLU 61 20.450 -13.278 16.577 494 2HG GLU 61 1HG GLU 61 20.353 -13.223 18.336
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