NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3323 | 1diu | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1315 H/Q atoms Start of MODEL 1 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.714 24.273 25.513 24 HA LEU 4 HA LEU 4 -3.628 25.175 25.225 25 1HB LEU 4 1HB LEU 4 -2.715 26.366 27.052 26 2HB LEU 4 2HB LEU 4 -1.094 26.452 26.389 27 HG LEU 4 HG LEU 4 -1.805 28.367 24.919 28 1HD1 LEU 4 3HD1 LEU 4 -4.258 27.977 24.937 29 2HD1 LEU 4 1HD1 LEU 4 -4.336 28.432 26.659 30 3HD1 LEU 4 2HD1 LEU 4 -3.866 29.634 25.430 31 1HD2 LEU 4 2HD2 LEU 4 -0.954 28.790 27.727 32 2HD2 LEU 4 3HD2 LEU 4 -0.815 29.871 26.422 33 3HD2 LEU 4 1HD2 LEU 4 -2.160 30.026 27.362 34 H TRP 5 H TRP 5 -3.961 25.016 22.984 35 HA TRP 5 HA TRP 5 -2.337 26.818 21.269 36 1HB TRP 5 1HB TRP 5 -1.261 25.446 19.820 37 2HB TRP 5 2HB TRP 5 -1.067 24.565 21.298 38 HD1 TRP 5 HD1 TRP 5 -2.336 24.226 17.782 39 HE1 TRP 5 HE1 TRP 5 -3.129 21.774 17.254 40 HE3 TRP 5 HE3 TRP 5 -2.468 22.623 22.612 41 HZ2 TRP 5 HZ2 TRP 5 -3.588 19.485 18.879 42 HZ3 TRP 5 HZ3 TRP 5 -3.031 20.264 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.561 18.705 21.226 44 H ALA 6 H ALA 6 -2.927 26.801 18.975 45 HA ALA 6 HA ALA 6 -5.869 26.302 18.396 46 1HB ALA 6 3HB ALA 6 -4.446 29.031 17.959 47 2HB ALA 6 1HB ALA 6 -6.082 28.619 17.384 48 3HB ALA 6 2HB ALA 6 -5.744 28.691 19.124 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.233 32.467 14.072 136 1HB LEU 19 1HB LEU 19 -1.160 35.209 14.552 137 2HB LEU 19 2HB LEU 19 -2.064 33.734 14.386 138 HG LEU 19 HG LEU 19 0.055 34.000 16.636 139 1HD1 LEU 19 1HD1 LEU 19 -2.851 35.034 16.616 140 2HD1 LEU 19 2HD1 LEU 19 -2.010 34.598 18.095 141 3HD1 LEU 19 3HD1 LEU 19 -1.339 35.877 17.084 142 1HD2 LEU 19 3HD2 LEU 19 -0.921 31.661 16.151 143 2HD2 LEU 19 1HD2 LEU 19 -1.421 32.276 17.744 144 3HD2 LEU 19 2HD2 LEU 19 -2.562 32.315 16.387 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.294 34.185 19.525 193 HA ASP 26 HA ASP 26 -9.808 32.041 21.556 194 1HB ASP 26 1HB ASP 26 -9.915 31.687 19.041 195 2HB ASP 26 2HB ASP 26 -8.548 32.770 18.809 196 H LEU 27 H LEU 27 -8.283 35.023 20.751 197 HA LEU 27 HA LEU 27 -6.060 34.548 22.743 198 1HB LEU 27 1HB LEU 27 -6.718 36.883 20.847 199 2HB LEU 27 2HB LEU 27 -5.568 37.006 22.154 200 HG LEU 27 HG LEU 27 -4.459 34.793 21.193 201 1HD1 LEU 27 2HD1 LEU 27 -5.842 35.721 18.581 202 2HD1 LEU 27 3HD1 LEU 27 -4.487 34.581 18.691 203 3HD1 LEU 27 1HD1 LEU 27 -6.045 34.133 19.372 204 1HD2 LEU 27 1HD2 LEU 27 -3.447 36.986 21.340 205 2HD2 LEU 27 2HD2 LEU 27 -2.974 36.129 19.860 206 3HD2 LEU 27 3HD2 LEU 27 -4.141 37.491 19.795 207 H HIS 28 H HIS 28 -9.231 36.161 22.751 208 HA HIS 28 HA HIS 28 -9.039 37.086 25.572 209 1HB HIS 28 1HB HIS 28 -11.520 35.996 24.088 210 2HB HIS 28 2HB HIS 28 -11.545 36.787 25.647 211 HD1 HIS 28 HD1 HIS 28 -9.618 39.393 24.968 212 HD2 HIS 28 HD2 HIS 28 -12.747 37.764 22.514 213 HE1 HIS 28 HE1 HIS 28 -10.381 41.108 23.359 214 HE2 HIS 28 HE2 HIS 28 -12.314 40.314 21.809 215 H TYR 29 H TYR 29 -9.837 33.833 24.188 216 HA TYR 29 HA TYR 29 -9.876 32.565 26.928 217 1HB TYR 29 1HB TYR 29 -11.356 31.755 25.062 218 2HB TYR 29 2HB TYR 29 -10.058 31.685 23.916 219 HD1 TYR 29 HD1 TYR 29 -8.328 29.829 23.991 220 HD2 TYR 29 HD2 TYR 29 -11.967 29.728 26.291 221 HE1 TYR 29 HE1 TYR 29 -8.206 27.379 24.092 222 HE2 TYR 29 HE2 TYR 29 -11.841 27.276 26.365 223 HH TYR 29 HH TYR 29 -10.711 25.463 25.752 224 H PHE 30 H PHE 30 -7.287 33.324 24.622 225 HA PHE 30 HA PHE 30 -5.283 31.537 25.891 226 1HB PHE 30 1HB PHE 30 -4.828 32.783 23.711 227 2HB PHE 30 2HB PHE 30 -4.697 34.275 24.603 228 HD1 PHE 30 HD2 PHE 30 -2.853 34.216 26.701 229 HD2 PHE 30 HD1 PHE 30 -2.899 31.478 23.401 230 HE1 PHE 30 HE2 PHE 30 -0.612 33.460 27.276 231 HE2 PHE 30 HE1 PHE 30 -0.520 30.973 23.798 232 HZ PHE 30 HZ PHE 30 0.628 31.962 25.747 233 H ARG 31 H ARG 31 -6.228 34.994 26.458 234 HA ARG 31 HA ARG 31 -4.479 35.476 28.690 235 1HB ARG 31 1HB ARG 31 -5.744 37.210 27.420 236 2HB ARG 31 2HB ARG 31 -7.230 36.754 28.259 237 1HG ARG 31 1HG ARG 31 -6.172 37.303 30.476 238 2HG ARG 31 2HG ARG 31 -4.631 37.613 29.686 239 1HD ARG 31 1HD ARG 31 -5.704 39.569 28.431 240 2HD ARG 31 2HD ARG 31 -7.218 39.270 29.298 241 HE ARG 31 HE ARG 31 -5.252 39.565 31.369 242 1HH1 ARG 31 2HH1 ARG 31 -6.462 41.621 28.732 243 2HH1 ARG 31 1HH1 ARG 31 -6.072 43.126 29.708 244 1HH2 ARG 31 1HH2 ARG 31 -4.851 41.342 32.389 245 2HH2 ARG 31 2HH2 ARG 31 -5.221 42.975 31.639 246 H ALA 32 H ALA 32 -7.706 33.911 28.757 247 HA ALA 32 HA ALA 32 -7.519 33.916 31.811 248 1HB ALA 32 2HB ALA 32 -9.640 34.902 30.473 249 2HB ALA 32 3HB ALA 32 -9.859 33.333 29.691 250 3HB ALA 32 1HB ALA 32 -10.157 33.484 31.427 251 H GLN 33 H GLN 33 -7.778 31.527 29.144 252 HA GLN 33 HA GLN 33 -7.744 29.165 30.986 253 1HB GLN 33 1HB GLN 33 -6.605 29.400 28.140 254 2HB GLN 33 2HB GLN 33 -6.597 27.932 29.074 255 1HG GLN 33 1HG GLN 33 -9.177 29.374 28.215 256 2HG GLN 33 2HG GLN 33 -8.395 28.060 27.371 257 1HE2 GLN 33 2HE2 GLN 33 -10.800 27.083 30.497 258 2HE2 GLN 33 1HE2 GLN 33 -10.507 28.817 29.975 259 H THR 34 H THR 34 -5.464 31.663 30.319 260 HA THR 34 HA THR 34 -3.646 30.293 32.311 261 HB THR 34 HB THR 34 -1.587 31.358 31.303 262 HG1 THR 34 HG1 THR 34 -1.686 31.940 29.147 263 1HG2 THR 34 2HG2 THR 34 -2.067 28.963 30.980 264 2HG2 THR 34 3HG2 THR 34 -2.877 29.333 29.430 265 3HG2 THR 34 1HG2 THR 34 -1.145 29.702 29.666 266 H VAL 35 H VAL 35 -5.830 32.528 32.636 267 HA VAL 35 HA VAL 35 -4.194 34.737 33.565 268 HB VAL 35 HB VAL 35 -5.870 35.325 35.394 269 1HG1 VAL 35 2HG1 VAL 35 -5.484 36.631 33.285 270 2HG1 VAL 35 3HG1 VAL 35 -6.922 35.840 32.596 271 3HG1 VAL 35 1HG1 VAL 35 -7.065 36.812 34.058 272 1HG2 VAL 35 1HG2 VAL 35 -7.794 33.483 33.875 273 2HG2 VAL 35 2HG2 VAL 35 -7.354 33.412 35.587 274 3HG2 VAL 35 3HG2 VAL 35 -8.280 34.784 34.980 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.624 36.258 20.160 381 HA SER 48 HA SER 48 6.541 38.469 18.446 382 1HB SER 48 1HB SER 48 5.269 36.772 17.293 383 2HB SER 48 2HB SER 48 6.930 36.227 17.478 384 HG SER 48 HG SER 48 4.723 35.501 19.115 385 H PHE 49 H PHE 49 5.633 37.483 21.623 386 HA PHE 49 HA PHE 49 2.760 38.182 21.437 387 1HB PHE 49 1HB PHE 49 4.642 38.350 23.890 388 2HB PHE 49 2HB PHE 49 2.950 38.750 23.957 389 HD1 PHE 49 HD1 PHE 49 1.221 36.837 23.072 390 HD2 PHE 49 HD2 PHE 49 5.058 36.151 24.939 391 HE1 PHE 49 HE1 PHE 49 0.655 34.520 23.463 392 HE2 PHE 49 HE2 PHE 49 4.476 33.862 25.266 393 HZ PHE 49 HZ PHE 49 2.284 32.984 24.523 394 HA PRO 50 HA PRO 50 3.644 42.717 20.769 395 1HB PRO 50 1HB PRO 50 0.870 43.069 22.010 396 2HB PRO 50 2HB PRO 50 1.557 43.838 20.565 397 1HG PRO 50 1HG PRO 50 -0.141 41.731 20.290 398 2HG PRO 50 2HG PRO 50 1.310 41.814 19.264 399 1HD PRO 50 1HD PRO 50 0.884 40.104 21.774 400 2HD PRO 50 2HD PRO 50 1.663 39.678 20.217 401 H LYS 51 H LYS 51 1.988 42.114 23.914 402 HA LYS 51 HA LYS 51 3.894 44.003 25.355 403 1HB LYS 51 2HB LYS 51 1.410 43.973 25.781 404 2HB LYS 51 1HB LYS 51 1.566 42.345 26.453 405 1HG LYS 51 2HG LYS 51 3.241 43.221 28.138 406 2HG LYS 51 1HG LYS 51 3.110 44.834 27.448 407 1HD LYS 51 2HD LYS 51 0.705 44.984 28.091 408 2HD LYS 51 1HD LYS 51 0.712 43.315 28.664 409 1HE LYS 51 2HE LYS 51 2.371 43.903 30.475 410 2HE LYS 51 1HE LYS 51 2.449 45.570 29.886 411 1HZ LYS 51 3HZ LYS 51 0.072 45.801 30.388 412 2HZ LYS 51 1HZ LYS 51 -0.003 44.247 30.943 413 3HZ LYS 51 2HZ LYS 51 0.918 45.364 31.738 414 H ARG 52 H ARG 52 5.564 43.238 26.452 415 HA ARG 52 HA ARG 52 6.030 40.206 26.813 416 1HB ARG 52 1HB ARG 52 7.833 42.375 25.594 417 2HB ARG 52 2HB ARG 52 8.519 40.957 26.351 418 1HG ARG 52 1HG ARG 52 7.614 39.422 24.806 419 2HG ARG 52 2HG ARG 52 6.352 40.489 24.247 420 1HD ARG 52 1HD ARG 52 9.342 41.106 23.703 421 2HD ARG 52 2HD ARG 52 8.415 40.012 22.710 422 HE ARG 52 HE ARG 52 6.946 41.797 21.903 423 1HH1 ARG 52 2HH1 ARG 52 9.599 43.053 23.913 424 2HH1 ARG 52 1HH1 ARG 52 9.359 44.725 23.196 425 1HH2 ARG 52 1HH2 ARG 52 6.768 43.730 21.162 426 2HH2 ARG 52 2HH2 ARG 52 7.866 45.079 21.745 427 HA PRO 53 HA PRO 53 5.778 39.083 28.648 428 1HB PRO 53 1HB PRO 53 4.949 38.743 31.270 429 2HB PRO 53 2HB PRO 53 6.583 38.405 30.703 430 1HG PRO 53 1HG PRO 53 5.584 40.912 32.133 431 2HG PRO 53 2HG PRO 53 7.043 39.956 32.491 432 1HD PRO 53 1HD PRO 53 7.124 42.280 30.967 433 2HD PRO 53 2HD PRO 53 8.246 40.923 30.658 434 H LEU 54 H LEU 54 3.632 38.549 28.421 435 HA LEU 54 HA LEU 54 1.443 40.527 28.809 436 1HB LEU 54 1HB LEU 54 -0.246 38.661 28.634 437 2HB LEU 54 2HB LEU 54 0.600 39.180 27.209 438 HG LEU 54 HG LEU 54 0.905 36.533 28.719 439 1HD1 LEU 54 1HD1 LEU 54 -1.138 36.763 27.248 440 2HD1 LEU 54 2HD1 LEU 54 -0.107 37.223 25.874 441 3HD1 LEU 54 3HD1 LEU 54 -0.002 35.599 26.543 442 1HD2 LEU 54 1HD2 LEU 54 2.575 37.542 26.336 443 2HD2 LEU 54 2HD2 LEU 54 3.172 36.919 27.890 444 3HD2 LEU 54 3HD2 LEU 54 2.400 35.818 26.757 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.801 459 HA ARG 57 HA ARG 57 -0.093 34.163 35.779 460 1HB ARG 57 1HB ARG 57 -0.245 33.103 33.558 461 2HB ARG 57 2HB ARG 57 -1.278 34.513 33.534 462 1HG ARG 57 1HG ARG 57 0.911 35.691 32.363 463 2HG ARG 57 2HG ARG 57 1.313 34.031 32.013 464 1HD ARG 57 1HD ARG 57 0.119 34.592 30.071 465 2HD ARG 57 2HD ARG 57 -1.177 33.849 31.023 466 HE ARG 57 HE ARG 57 -0.943 36.828 31.458 467 1HH1 ARG 57 2HH1 ARG 57 -2.235 34.621 29.145 468 2HH1 ARG 57 1HH1 ARG 57 -3.171 36.104 28.506 469 1HH2 ARG 57 1HH2 ARG 57 -2.304 38.081 31.015 470 2HH2 ARG 57 2HH2 ARG 57 -3.201 37.814 29.432 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.204 19.623 903 HB THR 116 HB THR 116 -7.849 27.452 19.058 904 HG1 THR 116 HG1 THR 116 -8.710 28.281 20.914 905 1HG2 THR 116 1HG2 THR 116 -10.957 27.373 19.136 906 2HG2 THR 116 2HG2 THR 116 -9.983 28.844 18.985 907 3HG2 THR 116 3HG2 THR 116 -9.947 27.637 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.525 32.041 20.447 1268 1HN2 BDM 1 1H2 BDM 1 -6.664 30.632 21.738 1269 2HN2 BDM 1 2H2 BDM 1 -5.895 29.029 22.191 1270 1HN4 BDM 1 1H4 BDM 1 -0.635 29.409 20.767 1271 2HN4 BDM 1 2H4 BDM 1 -1.835 28.113 21.269 1272 H6 BDM 1 H6 BDM 1 -3.353 33.105 20.101 1273 1H7 BDM 1 1H7 BDM 1 -0.404 31.688 19.806 1274 2H7 BDM 1 2H7 BDM 1 -0.277 31.585 21.550 1275 H9 BDM 1 H9 BDM 1 -1.789 34.079 22.717 1276 H13 BDM 1 H13 BDM 1 0.268 33.272 19.046 1277 1H14 BDM 1 1H14 BDM 1 2.517 36.229 19.682 1278 2H14 BDM 1 2H14 BDM 1 2.509 34.601 18.940 1279 3H14 BDM 1 3H14 BDM 1 2.787 36.045 17.916 1280 1H15 BDM 1 1H15 BDM 1 -3.148 36.135 23.364 1281 2H15 BDM 1 2H15 BDM 1 -1.810 36.018 24.393 1282 1H16 BDM 1 1H16 BDM 1 -1.695 38.391 24.842 1283 2H16 BDM 1 2H16 BDM 1 -2.527 38.816 23.364 1284 1H17 BDM 1 1H17 BDM 1 -4.226 37.209 25.296 1285 2H17 BDM 1 2H17 BDM 1 -4.657 38.505 24.208 1286 H18 BDM 1 H18 BDM 1 -3.328 40.108 25.827 1287 1H19 BDM 1 1H19 BDM 1 -5.904 38.679 26.695 1288 2H19 BDM 1 2H19 BDM 1 -5.477 40.359 27.044 1289 1H20 BDM 1 1H20 BDM 1 -5.503 40.889 24.569 1290 2H20 BDM 1 2H20 BDM 1 -5.790 39.199 24.188 No H/Q in entry = 1290 Start of MODEL 2 Raw file had 1315 H/Q atoms Start of MODEL 2 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.710 24.267 25.502 24 HA LEU 4 HA LEU 4 -3.623 25.169 25.214 25 1HB LEU 4 1HB LEU 4 -2.696 26.355 27.041 26 2HB LEU 4 2HB LEU 4 -1.082 26.451 26.368 27 HG LEU 4 HG LEU 4 -1.833 28.353 24.883 28 1HD1 LEU 4 2HD1 LEU 4 -4.283 27.909 24.953 29 2HD1 LEU 4 3HD1 LEU 4 -4.335 28.391 26.669 30 3HD1 LEU 4 1HD1 LEU 4 -3.909 29.578 25.411 31 1HD2 LEU 4 2HD2 LEU 4 -0.992 28.796 27.714 32 2HD2 LEU 4 3HD2 LEU 4 -0.806 29.846 26.393 33 3HD2 LEU 4 1HD2 LEU 4 -2.169 30.051 27.266 34 H TRP 5 H TRP 5 -3.962 25.020 22.974 35 HA TRP 5 HA TRP 5 -2.339 26.822 21.264 36 1HB TRP 5 1HB TRP 5 -1.267 25.452 19.803 37 2HB TRP 5 2HB TRP 5 -1.062 24.574 21.282 38 HD1 TRP 5 HD1 TRP 5 -2.343 24.224 17.774 39 HE1 TRP 5 HE1 TRP 5 -3.135 21.770 17.253 40 HE3 TRP 5 HE3 TRP 5 -2.463 22.631 22.608 41 HZ2 TRP 5 HZ2 TRP 5 -3.589 19.485 18.884 42 HZ3 TRP 5 HZ3 TRP 5 -3.029 20.273 23.072 43 HH2 TRP 5 HH2 TRP 5 -3.560 18.711 21.232 44 H ALA 6 H ALA 6 -2.930 26.813 18.973 45 HA ALA 6 HA ALA 6 -5.872 26.310 18.392 46 1HB ALA 6 3HB ALA 6 -4.445 29.036 17.953 47 2HB ALA 6 1HB ALA 6 -6.079 28.624 17.371 48 3HB ALA 6 2HB ALA 6 -5.748 28.700 19.113 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.235 32.467 14.070 136 1HB LEU 19 1HB LEU 19 -1.161 35.206 14.552 137 2HB LEU 19 2HB LEU 19 -2.061 33.726 14.394 138 HG LEU 19 HG LEU 19 0.078 34.019 16.623 139 1HD1 LEU 19 2HD1 LEU 19 -2.838 35.010 16.604 140 2HD1 LEU 19 3HD1 LEU 19 -2.003 34.568 18.087 141 3HD1 LEU 19 1HD1 LEU 19 -1.337 35.861 17.089 142 1HD2 LEU 19 1HD2 LEU 19 -0.821 31.661 16.139 143 2HD2 LEU 19 2HD2 LEU 19 -1.344 32.251 17.732 144 3HD2 LEU 19 3HD2 LEU 19 -2.484 32.256 16.372 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.307 34.178 19.520 193 HA ASP 26 HA ASP 26 -9.854 32.023 21.554 194 1HB ASP 26 1HB ASP 26 -10.011 31.582 19.072 195 2HB ASP 26 2HB ASP 26 -8.668 32.678 18.762 196 H LEU 27 H LEU 27 -8.189 34.889 20.599 197 HA LEU 27 HA LEU 27 -5.901 34.386 22.473 198 1HB LEU 27 1HB LEU 27 -6.754 36.705 20.611 199 2HB LEU 27 2HB LEU 27 -5.582 36.933 21.861 200 HG LEU 27 HG LEU 27 -4.436 34.701 20.900 201 1HD1 LEU 27 1HD1 LEU 27 -6.069 34.169 19.064 202 2HD1 LEU 27 2HD1 LEU 27 -5.753 35.757 18.313 203 3HD1 LEU 27 3HD1 LEU 27 -4.467 34.535 18.428 204 1HD2 LEU 27 1HD2 LEU 27 -3.431 36.847 21.215 205 2HD2 LEU 27 2HD2 LEU 27 -2.908 36.085 19.704 206 3HD2 LEU 27 3HD2 LEU 27 -4.059 37.469 19.688 207 H HIS 28 H HIS 28 -8.951 36.259 22.683 208 HA HIS 28 HA HIS 28 -8.455 36.980 25.521 209 1HB HIS 28 1HB HIS 28 -11.171 36.673 24.117 210 2HB HIS 28 2HB HIS 28 -10.924 37.356 25.711 211 HD1 HIS 28 HD1 HIS 28 -8.737 39.623 25.530 212 HD2 HIS 28 HD2 HIS 28 -11.226 38.493 22.200 213 HE1 HIS 28 HE1 HIS 28 -8.488 41.232 23.705 214 HE2 HIS 28 HE2 HIS 28 -9.996 40.807 21.679 215 H TYR 29 H TYR 29 -9.699 33.916 24.117 216 HA TYR 29 HA TYR 29 -9.932 32.668 26.864 217 1HB TYR 29 1HB TYR 29 -11.407 31.896 25.007 218 2HB TYR 29 2HB TYR 29 -10.109 31.775 23.865 219 HD1 TYR 29 HD1 TYR 29 -8.440 29.868 23.948 220 HD2 TYR 29 HD2 TYR 29 -12.064 29.892 26.279 221 HE1 TYR 29 HE1 TYR 29 -8.355 27.420 24.124 222 HE2 TYR 29 HE2 TYR 29 -11.978 27.441 26.421 223 HH TYR 29 HH TYR 29 -10.876 25.594 25.860 224 H PHE 30 H PHE 30 -7.272 33.099 24.484 225 HA PHE 30 HA PHE 30 -5.357 31.271 25.763 226 1HB PHE 30 1HB PHE 30 -4.838 32.483 23.611 227 2HB PHE 30 2HB PHE 30 -4.732 33.996 24.459 228 HD1 PHE 30 HD2 PHE 30 -2.858 34.170 26.450 229 HD2 PHE 30 HD1 PHE 30 -2.906 31.128 23.439 230 HE1 PHE 30 HE2 PHE 30 -0.544 33.575 26.985 231 HE2 PHE 30 HE1 PHE 30 -0.495 30.766 23.763 232 HZ PHE 30 HZ PHE 30 0.678 31.960 25.582 233 H ARG 31 H ARG 31 -6.184 34.692 26.398 234 HA ARG 31 HA ARG 31 -4.471 35.269 28.637 235 1HB ARG 31 1HB ARG 31 -5.881 36.831 27.278 236 2HB ARG 31 2HB ARG 31 -7.333 36.241 28.090 237 1HG ARG 31 1HG ARG 31 -6.439 37.000 30.302 238 2HG ARG 31 2HG ARG 31 -4.905 37.459 29.560 239 1HD ARG 31 1HD ARG 31 -6.132 39.210 28.158 240 2HD ARG 31 2HD ARG 31 -7.646 38.735 28.902 241 HE ARG 31 HE ARG 31 -7.098 39.938 30.898 242 1HH1 ARG 31 2HH1 ARG 31 -4.189 39.775 28.858 243 2HH1 ARG 31 1HH1 ARG 31 -3.368 41.034 29.911 244 1HH2 ARG 31 1HH2 ARG 31 -6.070 41.359 32.019 245 2HH2 ARG 31 2HH2 ARG 31 -4.363 41.868 31.578 246 H ALA 32 H ALA 32 -7.900 34.102 28.738 247 HA ALA 32 HA ALA 32 -7.558 33.894 31.737 248 1HB ALA 32 2HB ALA 32 -9.721 34.881 30.450 249 2HB ALA 32 3HB ALA 32 -9.966 33.308 29.684 250 3HB ALA 32 1HB ALA 32 -10.225 33.473 31.425 251 H GLN 33 H GLN 33 -7.790 31.490 29.124 252 HA GLN 33 HA GLN 33 -7.840 29.129 30.960 253 1HB GLN 33 1HB GLN 33 -6.622 29.413 28.148 254 2HB GLN 33 2HB GLN 33 -6.608 27.925 29.052 255 1HG GLN 33 1HG GLN 33 -9.188 29.347 28.165 256 2HG GLN 33 2HG GLN 33 -8.373 28.050 27.324 257 1HE2 GLN 33 2HE2 GLN 33 -10.840 27.017 30.382 258 2HE2 GLN 33 1HE2 GLN 33 -10.559 28.758 29.878 259 H THR 34 H THR 34 -5.510 31.606 30.443 260 HA THR 34 HA THR 34 -3.581 30.056 32.223 261 HB THR 34 HB THR 34 -1.666 31.459 31.330 262 HG1 THR 34 HG1 THR 34 -1.937 32.318 29.290 263 1HG2 THR 34 2HG2 THR 34 -1.891 29.113 30.691 264 2HG2 THR 34 3HG2 THR 34 -2.945 29.558 29.319 265 3HG2 THR 34 1HG2 THR 34 -1.254 30.134 29.390 266 H VAL 35 H VAL 35 -5.767 32.638 32.516 267 HA VAL 35 HA VAL 35 -4.094 34.620 33.490 268 HB VAL 35 HB VAL 35 -5.805 35.584 35.089 269 1HG1 VAL 35 2HG1 VAL 35 -5.162 36.587 32.946 270 2HG1 VAL 35 3HG1 VAL 35 -6.442 35.677 32.126 271 3HG1 VAL 35 1HG1 VAL 35 -6.859 36.860 33.371 272 1HG2 VAL 35 1HG2 VAL 35 -7.676 33.525 33.824 273 2HG2 VAL 35 2HG2 VAL 35 -7.487 33.977 35.520 274 3HG2 VAL 35 3HG2 VAL 35 -8.246 35.109 34.402 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.612 36.259 20.173 381 HA SER 48 HA SER 48 6.526 38.473 18.461 382 1HB SER 48 1HB SER 48 5.253 36.777 17.308 383 2HB SER 48 2HB SER 48 6.913 36.232 17.489 384 HG SER 48 HG SER 48 4.710 35.504 19.130 385 H PHE 49 H PHE 49 5.628 37.498 21.646 386 HA PHE 49 HA PHE 49 2.753 38.189 21.452 387 1HB PHE 49 1HB PHE 49 4.624 38.372 23.915 388 2HB PHE 49 2HB PHE 49 2.931 38.776 23.972 389 HD1 PHE 49 HD1 PHE 49 1.188 36.859 23.113 390 HD2 PHE 49 HD2 PHE 49 5.042 36.163 24.958 391 HE1 PHE 49 HE1 PHE 49 0.642 34.542 23.457 392 HE2 PHE 49 HE2 PHE 49 4.474 33.866 25.241 393 HZ PHE 49 HZ PHE 49 2.297 32.987 24.472 394 HA PRO 50 HA PRO 50 3.622 42.726 20.775 395 1HB PRO 50 1HB PRO 50 0.851 43.068 22.024 396 2HB PRO 50 2HB PRO 50 1.531 43.841 20.578 397 1HG PRO 50 1HG PRO 50 -0.159 41.728 20.305 398 2HG PRO 50 2HG PRO 50 1.291 41.815 19.277 399 1HD PRO 50 1HD PRO 50 0.873 40.106 21.789 400 2HD PRO 50 2HD PRO 50 1.650 39.680 20.232 401 H LYS 51 H LYS 51 1.987 42.113 23.928 402 HA LYS 51 HA LYS 51 3.898 44.008 25.359 403 1HB LYS 51 2HB LYS 51 1.417 43.985 25.800 404 2HB LYS 51 1HB LYS 51 1.570 42.355 26.466 405 1HG LYS 51 2HG LYS 51 3.254 43.217 28.147 406 2HG LYS 51 1HG LYS 51 3.129 44.834 27.463 407 1HD LYS 51 2HD LYS 51 0.730 44.998 28.117 408 2HD LYS 51 1HD LYS 51 0.723 43.325 28.679 409 1HE LYS 51 2HE LYS 51 2.390 43.886 30.491 410 2HE LYS 51 1HE LYS 51 2.483 45.555 29.912 411 1HZ LYS 51 3HZ LYS 51 0.111 45.809 30.420 412 2HZ LYS 51 1HZ LYS 51 0.019 44.251 30.963 413 3HZ LYS 51 2HZ LYS 51 0.953 45.352 31.766 414 H ARG 52 H ARG 52 5.570 43.240 26.452 415 HA ARG 52 HA ARG 52 6.037 40.206 26.802 416 1HB ARG 52 1HB ARG 52 7.835 42.384 25.591 417 2HB ARG 52 2HB ARG 52 8.526 40.968 26.347 418 1HG ARG 52 1HG ARG 52 7.636 39.431 24.799 419 2HG ARG 52 2HG ARG 52 6.364 40.487 24.242 420 1HD ARG 52 1HD ARG 52 9.348 41.133 23.698 421 2HD ARG 52 2HD ARG 52 8.434 40.029 22.705 422 HE ARG 52 HE ARG 52 6.945 41.798 21.898 423 1HH1 ARG 52 2HH1 ARG 52 9.584 43.083 23.907 424 2HH1 ARG 52 1HH1 ARG 52 9.323 44.754 23.195 425 1HH2 ARG 52 1HH2 ARG 52 6.741 43.730 21.162 426 2HH2 ARG 52 2HH2 ARG 52 7.823 45.092 21.747 427 HA PRO 53 HA PRO 53 5.779 39.074 28.633 428 1HB PRO 53 1HB PRO 53 4.950 38.729 31.256 429 2HB PRO 53 2HB PRO 53 6.583 38.387 30.689 430 1HG PRO 53 1HG PRO 53 5.590 40.893 32.127 431 2HG PRO 53 2HG PRO 53 7.047 39.932 32.481 432 1HD PRO 53 1HD PRO 53 7.132 42.261 30.964 433 2HD PRO 53 2HD PRO 53 8.252 40.904 30.652 434 H LEU 54 H LEU 54 3.619 38.548 28.411 435 HA LEU 54 HA LEU 54 1.462 40.557 28.827 436 1HB LEU 54 1HB LEU 54 -0.274 38.778 28.600 437 2HB LEU 54 2HB LEU 54 0.623 39.249 27.187 438 HG LEU 54 HG LEU 54 0.764 36.602 28.717 439 1HD1 LEU 54 3HD1 LEU 54 -1.226 36.936 27.181 440 2HD1 LEU 54 1HD1 LEU 54 -0.122 37.306 25.835 441 3HD1 LEU 54 2HD1 LEU 54 -0.143 35.694 26.533 442 1HD2 LEU 54 1HD2 LEU 54 2.548 37.525 26.378 443 2HD2 LEU 54 2HD2 LEU 54 3.068 36.868 27.946 444 3HD2 LEU 54 3HD2 LEU 54 2.280 35.810 26.777 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.866 36.850 34.798 459 HA ARG 57 HA ARG 57 -0.075 34.178 35.798 460 1HB ARG 57 1HB ARG 57 -0.195 33.043 33.613 461 2HB ARG 57 2HB ARG 57 -1.330 34.362 33.599 462 1HG ARG 57 1HG ARG 57 0.833 35.647 32.365 463 2HG ARG 57 2HG ARG 57 1.227 33.993 31.991 464 1HD ARG 57 1HD ARG 57 -0.066 34.482 30.111 465 2HD ARG 57 2HD ARG 57 -1.336 33.826 31.161 466 HE ARG 57 HE ARG 57 -0.951 36.819 31.415 467 1HH1 ARG 57 2HH1 ARG 57 -2.685 34.437 29.589 468 2HH1 ARG 57 1HH1 ARG 57 -3.841 35.714 28.982 469 1HH2 ARG 57 1HH2 ARG 57 -2.366 38.085 30.990 470 2HH2 ARG 57 2HH2 ARG 57 -3.668 37.715 29.756 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.203 19.623 903 HB THR 116 HB THR 116 -7.853 27.455 19.060 904 HG1 THR 116 HG1 THR 116 -8.717 28.277 20.919 905 1HG2 THR 116 3HG2 THR 116 -10.962 27.361 19.135 906 2HG2 THR 116 1HG2 THR 116 -9.997 28.838 18.993 907 3HG2 THR 116 2HG2 THR 116 -9.950 27.638 17.698 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.513 32.040 20.445 1268 1HN2 BDM 1 1H2 BDM 1 -5.861 29.018 22.169 1269 2HN2 BDM 1 2H2 BDM 1 -6.636 30.622 21.728 1270 1HN4 BDM 1 1H4 BDM 1 -0.610 29.416 20.718 1271 2HN4 BDM 1 2H4 BDM 1 -1.804 28.116 21.223 1272 H6 BDM 1 H6 BDM 1 -3.346 33.112 20.085 1273 1H7 BDM 1 1H7 BDM 1 -0.400 31.702 19.741 1274 2H7 BDM 1 2H7 BDM 1 -0.246 31.579 21.482 1275 H9 BDM 1 H9 BDM 1 -1.782 34.040 22.681 1276 H13 BDM 1 H13 BDM 1 0.301 33.309 19.015 1277 1H14 BDM 1 1H14 BDM 1 2.506 34.623 18.893 1278 2H14 BDM 1 2H14 BDM 1 2.794 36.097 17.918 1279 3H14 BDM 1 3H14 BDM 1 2.534 36.224 19.691 1280 1H15 BDM 1 1H15 BDM 1 -3.223 36.138 23.373 1281 2H15 BDM 1 2H15 BDM 1 -1.854 35.917 24.334 1282 1H16 BDM 1 1H16 BDM 1 -2.929 37.871 25.347 1283 2H16 BDM 1 2H16 BDM 1 -1.551 38.497 24.467 1284 1H17 BDM 1 1H17 BDM 1 -3.258 38.919 22.459 1285 2H17 BDM 1 2H17 BDM 1 -3.161 40.040 23.804 1286 H18 BDM 1 H18 BDM 1 -5.157 37.762 23.753 1287 1H19 BDM 1 1H19 BDM 1 -6.034 38.526 25.713 1288 2H19 BDM 1 2H19 BDM 1 -4.311 38.709 25.907 1289 1H20 BDM 1 1H20 BDM 1 -4.838 40.781 26.761 1290 2H20 BDM 1 2H20 BDM 1 -4.868 41.289 25.087 No H/Q in entry = 1290 Start of MODEL 3 Raw file had 1315 H/Q atoms Start of MODEL 3 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.711 24.271 25.510 24 HA LEU 4 HA LEU 4 -3.623 25.183 25.236 25 1HB LEU 4 1HB LEU 4 -2.704 26.365 27.057 26 2HB LEU 4 2HB LEU 4 -1.081 26.445 26.395 27 HG LEU 4 HG LEU 4 -1.770 28.384 24.943 28 1HD1 LEU 4 1HD1 LEU 4 -4.221 27.999 24.936 29 2HD1 LEU 4 2HD1 LEU 4 -4.318 28.423 26.664 30 3HD1 LEU 4 3HD1 LEU 4 -3.837 29.647 25.463 31 1HD2 LEU 4 1HD2 LEU 4 -0.947 28.778 27.788 32 2HD2 LEU 4 2HD2 LEU 4 -0.807 29.877 26.497 33 3HD2 LEU 4 3HD2 LEU 4 -2.165 30.000 27.434 34 H TRP 5 H TRP 5 -3.957 25.005 22.994 35 HA TRP 5 HA TRP 5 -2.345 26.808 21.272 36 1HB TRP 5 1HB TRP 5 -1.259 25.438 19.832 37 2HB TRP 5 2HB TRP 5 -1.072 24.556 21.310 38 HD1 TRP 5 HD1 TRP 5 -2.333 24.221 17.787 39 HE1 TRP 5 HE1 TRP 5 -3.127 21.769 17.257 40 HE3 TRP 5 HE3 TRP 5 -2.471 22.615 22.615 41 HZ2 TRP 5 HZ2 TRP 5 -3.586 19.479 18.880 42 HZ3 TRP 5 HZ3 TRP 5 -3.032 20.256 23.072 43 HH2 TRP 5 HH2 TRP 5 -3.561 18.698 21.227 44 H ALA 6 H ALA 6 -2.927 26.787 18.981 45 HA ALA 6 HA ALA 6 -5.870 26.295 18.396 46 1HB ALA 6 3HB ALA 6 -4.438 29.020 17.968 47 2HB ALA 6 1HB ALA 6 -6.071 28.612 17.379 48 3HB ALA 6 2HB ALA 6 -5.747 28.681 19.121 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.236 32.467 14.069 136 1HB LEU 19 1HB LEU 19 -1.157 35.206 14.565 137 2HB LEU 19 2HB LEU 19 -2.056 33.726 14.413 138 HG LEU 19 HG LEU 19 0.093 34.016 16.638 139 1HD1 LEU 19 3HD1 LEU 19 -2.824 35.011 16.653 140 2HD1 LEU 19 1HD1 LEU 19 -1.959 34.584 18.121 141 3HD1 LEU 19 2HD1 LEU 19 -1.317 35.874 17.104 142 1HD2 LEU 19 2HD2 LEU 19 -0.852 31.664 16.164 143 2HD2 LEU 19 3HD2 LEU 19 -1.345 32.271 17.762 144 3HD2 LEU 19 1HD2 LEU 19 -2.501 32.292 16.416 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.279 34.181 19.532 193 HA ASP 26 HA ASP 26 -9.823 32.050 21.591 194 1HB ASP 26 1HB ASP 26 -9.928 31.628 19.092 195 2HB ASP 26 2HB ASP 26 -8.577 32.721 18.822 196 H LEU 27 H LEU 27 -8.247 34.976 20.725 197 HA LEU 27 HA LEU 27 -6.012 34.503 22.699 198 1HB LEU 27 1HB LEU 27 -6.696 36.811 20.765 199 2HB LEU 27 2HB LEU 27 -5.525 36.963 22.047 200 HG LEU 27 HG LEU 27 -4.481 34.684 21.108 201 1HD1 LEU 27 3HD1 LEU 27 -5.817 35.669 18.495 202 2HD1 LEU 27 1HD1 LEU 27 -4.514 34.469 18.614 203 3HD1 LEU 27 2HD1 LEU 27 -6.097 34.093 19.286 204 1HD2 LEU 27 2HD2 LEU 27 -3.426 36.869 21.271 205 2HD2 LEU 27 3HD2 LEU 27 -2.929 35.939 19.845 206 3HD2 LEU 27 1HD2 LEU 27 -4.039 37.346 19.687 207 H HIS 28 H HIS 28 -9.125 36.230 22.710 208 HA HIS 28 HA HIS 28 -8.866 37.187 25.516 209 1HB HIS 28 1HB HIS 28 -11.390 36.227 24.002 210 2HB HIS 28 2HB HIS 28 -11.403 36.991 25.575 211 HD1 HIS 28 HD1 HIS 28 -9.448 39.509 25.164 212 HD2 HIS 28 HD2 HIS 28 -12.146 38.034 22.191 213 HE1 HIS 28 HE1 HIS 28 -9.909 41.275 23.520 214 HE2 HIS 28 HE2 HIS 28 -11.581 40.593 21.672 215 H TYR 29 H TYR 29 -9.750 33.933 24.190 216 HA TYR 29 HA TYR 29 -9.872 32.729 26.959 217 1HB TYR 29 1HB TYR 29 -11.332 31.919 25.085 218 2HB TYR 29 2HB TYR 29 -10.018 31.802 23.962 219 HD1 TYR 29 HD1 TYR 29 -8.353 29.907 24.062 220 HD2 TYR 29 HD2 TYR 29 -11.993 29.933 26.362 221 HE1 TYR 29 HE1 TYR 29 -8.309 27.455 24.174 222 HE2 TYR 29 HE2 TYR 29 -11.942 27.478 26.452 223 HH TYR 29 HH TYR 29 -9.329 25.621 24.887 224 H PHE 30 H PHE 30 -7.223 33.365 24.677 225 HA PHE 30 HA PHE 30 -5.284 31.603 26.101 226 1HB PHE 30 1HB PHE 30 -4.845 32.667 23.807 227 2HB PHE 30 2HB PHE 30 -4.618 34.203 24.595 228 HD1 PHE 30 HD2 PHE 30 -2.754 34.038 26.764 229 HD2 PHE 30 HD1 PHE 30 -2.919 31.441 23.350 230 HE1 PHE 30 HE2 PHE 30 -0.509 33.285 27.220 231 HE2 PHE 30 HE1 PHE 30 -0.526 30.927 23.645 232 HZ PHE 30 HZ PHE 30 0.694 31.858 25.583 233 H ARG 31 H ARG 31 -6.229 35.052 26.396 234 HA ARG 31 HA ARG 31 -4.722 36.024 28.605 235 1HB ARG 31 1HB ARG 31 -6.232 37.322 27.246 236 2HB ARG 31 2HB ARG 31 -7.628 36.362 27.709 237 1HG ARG 31 1HG ARG 31 -7.603 37.242 30.003 238 2HG ARG 31 2HG ARG 31 -6.055 38.043 29.755 239 1HD ARG 31 1HD ARG 31 -7.058 39.654 28.128 240 2HD ARG 31 2HD ARG 31 -8.562 38.754 28.102 241 HE ARG 31 HE ARG 31 -9.303 39.823 30.078 242 1HH1 ARG 31 2HH1 ARG 31 -5.807 40.418 29.810 243 2HH1 ARG 31 1HH1 ARG 31 -5.904 41.639 31.176 244 1HH2 ARG 31 1HH2 ARG 31 -9.291 41.224 31.611 245 2HH2 ARG 31 2HH2 ARG 31 -7.742 42.063 32.124 246 H ALA 32 H ALA 32 -7.632 33.967 28.764 247 HA ALA 32 HA ALA 32 -7.426 34.004 31.824 248 1HB ALA 32 2HB ALA 32 -9.554 35.007 30.524 249 2HB ALA 32 3HB ALA 32 -9.793 33.443 29.736 250 3HB ALA 32 1HB ALA 32 -10.062 33.586 31.478 251 H GLN 33 H GLN 33 -7.751 31.622 29.150 252 HA GLN 33 HA GLN 33 -7.661 29.260 30.992 253 1HB GLN 33 1HB GLN 33 -6.609 29.473 28.112 254 2HB GLN 33 2HB GLN 33 -6.570 28.016 29.063 255 1HG GLN 33 1HG GLN 33 -9.172 29.446 28.253 256 2HG GLN 33 2HG GLN 33 -8.417 28.109 27.417 257 1HE2 GLN 33 2HE2 GLN 33 -10.756 27.205 30.607 258 2HE2 GLN 33 1HE2 GLN 33 -10.491 28.923 30.021 259 H THR 34 H THR 34 -5.384 31.705 30.076 260 HA THR 34 HA THR 34 -3.722 30.631 32.336 261 HB THR 34 HB THR 34 -1.581 31.525 31.411 262 HG1 THR 34 HG1 THR 34 -1.440 31.826 29.182 263 1HG2 THR 34 2HG2 THR 34 -1.998 29.086 31.280 264 2HG2 THR 34 3HG2 THR 34 -2.706 29.287 29.648 265 3HG2 THR 34 1HG2 THR 34 -0.999 29.676 29.941 266 H VAL 35 H VAL 35 -5.684 32.229 32.928 267 HA VAL 35 HA VAL 35 -4.207 34.749 33.630 268 HB VAL 35 HB VAL 35 -5.825 35.105 35.569 269 1HG1 VAL 35 2HG1 VAL 35 -5.544 36.647 33.644 270 2HG1 VAL 35 3HG1 VAL 35 -6.893 35.841 32.813 271 3HG1 VAL 35 1HG1 VAL 35 -7.162 36.650 34.362 272 1HG2 VAL 35 2HG2 VAL 35 -7.216 33.029 35.471 273 2HG2 VAL 35 3HG2 VAL 35 -8.175 34.509 35.329 274 3HG2 VAL 35 1HG2 VAL 35 -7.851 33.528 33.889 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.601 36.261 20.183 381 HA SER 48 HA SER 48 6.508 38.483 18.481 382 1HB SER 48 1HB SER 48 5.245 36.788 17.315 383 2HB SER 48 2HB SER 48 6.909 36.254 17.488 384 HG SER 48 HG SER 48 4.715 35.495 19.127 385 H PHE 49 H PHE 49 5.613 37.482 21.661 386 HA PHE 49 HA PHE 49 2.726 38.144 21.469 387 1HB PHE 49 1HB PHE 49 4.570 38.349 23.940 388 2HB PHE 49 2HB PHE 49 2.861 38.681 23.975 389 HD1 PHE 49 HD1 PHE 49 1.240 36.649 23.014 390 HD2 PHE 49 HD2 PHE 49 5.036 36.197 25.052 391 HE1 PHE 49 HE1 PHE 49 0.827 34.275 23.375 392 HE2 PHE 49 HE2 PHE 49 4.542 33.898 25.406 393 HZ PHE 49 HZ PHE 49 2.449 32.888 24.551 394 HA PRO 50 HA PRO 50 3.583 42.666 20.743 395 1HB PRO 50 1HB PRO 50 0.782 43.009 21.925 396 2HB PRO 50 2HB PRO 50 1.490 43.769 20.486 397 1HG PRO 50 1HG PRO 50 -0.176 41.640 20.197 398 2HG PRO 50 2HG PRO 50 1.299 41.723 19.206 399 1HD PRO 50 1HD PRO 50 0.827 40.048 21.732 400 2HD PRO 50 2HD PRO 50 1.645 39.603 20.201 401 H LYS 51 H LYS 51 1.899 42.082 23.873 402 HA LYS 51 HA LYS 51 3.777 44.004 25.312 403 1HB LYS 51 2HB LYS 51 1.288 43.955 25.731 404 2HB LYS 51 1HB LYS 51 1.461 42.338 26.422 405 1HG LYS 51 2HG LYS 51 3.133 43.254 28.094 406 2HG LYS 51 1HG LYS 51 2.977 44.857 27.385 407 1HD LYS 51 2HD LYS 51 0.566 44.973 28.029 408 2HD LYS 51 1HD LYS 51 0.608 43.315 28.632 409 1HE LYS 51 2HE LYS 51 2.268 43.973 30.422 410 2HE LYS 51 1HE LYS 51 2.297 45.631 29.805 411 1HZ LYS 51 3HZ LYS 51 -0.082 45.807 30.319 412 2HZ LYS 51 1HZ LYS 51 -0.113 44.260 30.897 413 3HZ LYS 51 2HZ LYS 51 0.782 45.413 31.670 414 H ARG 52 H ARG 52 5.477 43.238 26.354 415 HA ARG 52 HA ARG 52 5.933 40.206 26.738 416 1HB ARG 52 1HB ARG 52 7.738 42.394 25.561 417 2HB ARG 52 2HB ARG 52 8.436 41.008 26.364 418 1HG ARG 52 1HG ARG 52 7.653 39.428 24.817 419 2HG ARG 52 2HG ARG 52 6.343 40.415 24.226 420 1HD ARG 52 1HD ARG 52 9.303 41.181 23.707 421 2HD ARG 52 2HD ARG 52 8.448 40.027 22.719 422 HE ARG 52 HE ARG 52 6.895 41.722 21.870 423 1HH1 ARG 52 2HH1 ARG 52 9.464 43.140 23.882 424 2HH1 ARG 52 1HH1 ARG 52 9.152 44.786 23.132 425 1HH2 ARG 52 1HH2 ARG 52 6.632 43.630 21.093 426 2HH2 ARG 52 2HH2 ARG 52 7.658 45.041 21.661 427 HA PRO 53 HA PRO 53 5.669 39.047 28.552 428 1HB PRO 53 1HB PRO 53 4.810 38.664 31.158 429 2HB PRO 53 2HB PRO 53 6.464 38.371 30.616 430 1HG PRO 53 1HG PRO 53 5.372 40.838 32.052 431 2HG PRO 53 2HG PRO 53 6.842 39.908 32.436 432 1HD PRO 53 1HD PRO 53 6.911 42.246 30.933 433 2HD PRO 53 2HD PRO 53 8.066 40.915 30.638 434 H LEU 54 H LEU 54 3.497 38.417 28.416 435 HA LEU 54 HA LEU 54 1.303 40.407 28.755 436 1HB LEU 54 1HB LEU 54 -0.400 38.521 28.697 437 2HB LEU 54 2HB LEU 54 0.363 39.076 27.241 438 HG LEU 54 HG LEU 54 0.709 36.413 28.686 439 1HD1 LEU 54 3HD1 LEU 54 -0.322 37.201 25.853 440 2HD1 LEU 54 1HD1 LEU 54 -0.169 35.543 26.417 441 3HD1 LEU 54 2HD1 LEU 54 -1.309 36.630 27.212 442 1HD2 LEU 54 1HD2 LEU 54 2.410 37.455 26.338 443 2HD2 LEU 54 2HD2 LEU 54 2.981 36.775 27.882 444 3HD2 LEU 54 3HD2 LEU 54 2.206 35.722 26.703 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.869 36.850 34.807 459 HA ARG 57 HA ARG 57 -0.093 34.163 35.779 460 1HB ARG 57 1HB ARG 57 -0.205 33.089 33.539 461 2HB ARG 57 2HB ARG 57 -1.292 34.447 33.500 462 1HG ARG 57 1HG ARG 57 0.947 35.686 32.397 463 2HG ARG 57 2HG ARG 57 1.336 34.037 32.015 464 1HD ARG 57 1HD ARG 57 0.261 34.768 30.054 465 2HD ARG 57 2HD ARG 57 -1.034 33.892 30.841 466 HE ARG 57 HE ARG 57 -0.935 36.832 31.565 467 1HH1 ARG 57 2HH1 ARG 57 -2.350 34.744 29.157 468 2HH1 ARG 57 1HH1 ARG 57 -3.643 36.056 28.930 469 1HH2 ARG 57 1HH2 ARG 57 -2.404 37.989 31.401 470 2HH2 ARG 57 2HH2 ARG 57 -3.508 37.823 29.905 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.206 19.623 903 HB THR 116 HB THR 116 -7.841 27.441 19.059 904 HG1 THR 116 HG1 THR 116 -8.700 28.277 20.917 905 1HG2 THR 116 3HG2 THR 116 -10.949 27.392 19.139 906 2HG2 THR 116 1HG2 THR 116 -9.957 28.853 18.983 907 3HG2 THR 116 2HG2 THR 116 -9.938 27.642 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.497 31.978 20.484 1268 1HN2 BDM 1 1H2 BDM 1 -6.591 30.541 21.738 1269 2HN2 BDM 1 2H2 BDM 1 -5.800 28.941 22.162 1270 1HN4 BDM 1 1H4 BDM 1 -0.569 29.386 20.649 1271 2HN4 BDM 1 2H4 BDM 1 -1.746 28.079 21.174 1272 H6 BDM 1 H6 BDM 1 -3.337 33.073 20.084 1273 1H7 BDM 1 1H7 BDM 1 -0.419 31.721 19.633 1274 2H7 BDM 1 2H7 BDM 1 -0.170 31.497 21.354 1275 H9 BDM 1 H9 BDM 1 -1.764 33.849 22.717 1276 H13 BDM 1 H13 BDM 1 0.360 33.395 19.040 1277 1H14 BDM 1 1H14 BDM 1 2.460 34.657 18.750 1278 2H14 BDM 1 2H14 BDM 1 2.761 36.255 18.007 1279 3H14 BDM 1 3H14 BDM 1 2.606 36.106 19.789 1280 1H15 BDM 1 1H15 BDM 1 -2.211 35.682 24.455 1281 2H15 BDM 1 2H15 BDM 1 -3.497 36.032 23.391 1282 1H16 BDM 1 1H16 BDM 1 -3.272 38.501 23.691 1283 2H16 BDM 1 2H16 BDM 1 -1.829 38.286 24.648 1284 1H17 BDM 1 1H17 BDM 1 -3.326 37.032 26.398 1285 2H17 BDM 1 2H17 BDM 1 -4.714 37.597 25.506 1286 H18 BDM 1 H18 BDM 1 -2.698 39.735 26.204 1287 1H19 BDM 1 1H19 BDM 1 -5.341 40.477 27.014 1288 2H19 BDM 1 2H19 BDM 1 -4.445 41.037 25.634 1289 1H20 BDM 1 1H20 BDM 1 -5.441 39.440 24.130 1290 2H20 BDM 1 2H20 BDM 1 -5.962 38.383 25.415 No H/Q in entry = 1290 Start of MODEL 4 Raw file had 1315 H/Q atoms Start of MODEL 4 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.709 24.266 25.502 24 HA LEU 4 HA LEU 4 -3.621 25.167 25.206 25 1HB LEU 4 1HB LEU 4 -2.698 26.369 27.028 26 2HB LEU 4 2HB LEU 4 -1.082 26.453 26.361 27 HG LEU 4 HG LEU 4 -1.816 28.338 24.850 28 1HD1 LEU 4 3HD1 LEU 4 -4.268 27.885 24.896 29 2HD1 LEU 4 1HD1 LEU 4 -4.342 28.399 26.602 30 3HD1 LEU 4 2HD1 LEU 4 -3.901 29.562 25.326 31 1HD2 LEU 4 3HD2 LEU 4 -1.022 28.824 27.693 32 2HD2 LEU 4 1HD2 LEU 4 -0.807 29.853 26.361 33 3HD2 LEU 4 2HD2 LEU 4 -2.194 30.066 27.187 34 H TRP 5 H TRP 5 -3.969 25.045 22.968 35 HA TRP 5 HA TRP 5 -2.337 26.836 21.260 36 1HB TRP 5 1HB TRP 5 -1.270 25.463 19.794 37 2HB TRP 5 2HB TRP 5 -1.061 24.587 21.272 38 HD1 TRP 5 HD1 TRP 5 -2.345 24.230 17.769 39 HE1 TRP 5 HE1 TRP 5 -3.135 21.774 17.252 40 HE3 TRP 5 HE3 TRP 5 -2.463 22.642 22.606 41 HZ2 TRP 5 HZ2 TRP 5 -3.589 19.491 18.886 42 HZ3 TRP 5 HZ3 TRP 5 -3.030 20.285 23.074 43 HH2 TRP 5 HH2 TRP 5 -3.560 18.720 21.235 44 H ALA 6 H ALA 6 -2.929 26.822 18.967 45 HA ALA 6 HA ALA 6 -5.874 26.321 18.389 46 1HB ALA 6 3HB ALA 6 -4.436 29.041 17.948 47 2HB ALA 6 1HB ALA 6 -6.070 28.635 17.360 48 3HB ALA 6 2HB ALA 6 -5.746 28.710 19.103 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.233 32.467 14.072 136 1HB LEU 19 1HB LEU 19 -1.161 35.210 14.545 137 2HB LEU 19 2HB LEU 19 -2.061 33.730 14.395 138 HG LEU 19 HG LEU 19 0.071 34.028 16.632 139 1HD1 LEU 19 3HD1 LEU 19 -2.838 35.045 16.607 140 2HD1 LEU 19 1HD1 LEU 19 -2.000 34.618 18.091 141 3HD1 LEU 19 2HD1 LEU 19 -1.329 35.894 17.075 142 1HD2 LEU 19 3HD2 LEU 19 -0.876 31.677 16.169 143 2HD2 LEU 19 1HD2 LEU 19 -1.383 32.297 17.758 144 3HD2 LEU 19 2HD2 LEU 19 -2.526 32.310 16.401 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.320 34.169 19.514 193 HA ASP 26 HA ASP 26 -9.831 32.016 21.534 194 1HB ASP 26 1HB ASP 26 -9.960 31.641 19.036 195 2HB ASP 26 2HB ASP 26 -8.602 32.730 18.777 196 H LEU 27 H LEU 27 -8.277 34.974 20.704 197 HA LEU 27 HA LEU 27 -6.032 34.476 22.654 198 1HB LEU 27 1HB LEU 27 -6.749 36.827 20.795 199 2HB LEU 27 2HB LEU 27 -5.589 36.963 22.088 200 HG LEU 27 HG LEU 27 -4.450 34.780 21.107 201 1HD1 LEU 27 3HD1 LEU 27 -5.855 35.711 18.509 202 2HD1 LEU 27 1HD1 LEU 27 -4.492 34.579 18.610 203 3HD1 LEU 27 2HD1 LEU 27 -6.047 34.118 19.292 204 1HD2 LEU 27 3HD2 LEU 27 -3.490 36.990 21.282 205 2HD2 LEU 27 1HD2 LEU 27 -2.986 36.155 19.803 206 3HD2 LEU 27 2HD2 LEU 27 -4.180 37.498 19.740 207 H HIS 28 H HIS 28 -9.213 35.995 22.807 208 HA HIS 28 HA HIS 28 -8.874 36.922 25.624 209 1HB HIS 28 1HB HIS 28 -11.463 35.815 24.369 210 2HB HIS 28 2HB HIS 28 -11.336 36.810 25.803 211 HD1 HIS 28 HD1 HIS 28 -9.338 39.205 24.317 212 HD2 HIS 28 HD2 HIS 28 -13.066 37.418 23.011 213 HE1 HIS 28 HE1 HIS 28 -10.400 40.631 22.558 214 HE2 HIS 28 HE2 HIS 28 -12.693 39.733 21.693 215 H TYR 29 H TYR 29 -9.778 33.703 24.204 216 HA TYR 29 HA TYR 29 -9.811 32.353 26.902 217 1HB TYR 29 1HB TYR 29 -11.262 31.583 25.001 218 2HB TYR 29 2HB TYR 29 -9.942 31.529 23.878 219 HD1 TYR 29 HD1 TYR 29 -8.241 29.661 23.929 220 HD2 TYR 29 HD2 TYR 29 -11.850 29.564 26.277 221 HE1 TYR 29 HE1 TYR 29 -8.114 27.211 24.038 222 HE2 TYR 29 HE2 TYR 29 -11.718 27.113 26.360 223 HH TYR 29 HH TYR 29 -9.070 25.343 24.755 224 H PHE 30 H PHE 30 -7.256 33.066 24.484 225 HA PHE 30 HA PHE 30 -5.184 31.355 25.703 226 1HB PHE 30 1HB PHE 30 -4.809 32.623 23.522 227 2HB PHE 30 2HB PHE 30 -4.713 34.118 24.416 228 HD1 PHE 30 HD2 PHE 30 -2.752 34.391 26.209 229 HD2 PHE 30 HD1 PHE 30 -2.944 31.107 23.468 230 HE1 PHE 30 HE2 PHE 30 -0.427 33.780 26.741 231 HE2 PHE 30 HE1 PHE 30 -0.549 30.679 23.802 232 HZ PHE 30 HZ PHE 30 0.692 31.971 25.506 233 H ARG 31 H ARG 31 -6.287 34.686 26.362 234 HA ARG 31 HA ARG 31 -4.665 35.487 28.599 235 1HB ARG 31 1HB ARG 31 -6.222 36.897 27.368 236 2HB ARG 31 2HB ARG 31 -7.610 35.935 27.861 237 1HG ARG 31 1HG ARG 31 -7.394 36.634 30.201 238 2HG ARG 31 2HG ARG 31 -5.819 37.372 29.911 239 1HD ARG 31 1HD ARG 31 -6.896 39.126 28.416 240 2HD ARG 31 2HD ARG 31 -8.452 38.345 28.616 241 HE ARG 31 HE ARG 31 -8.736 39.329 30.770 242 1HH1 ARG 31 2HH1 ARG 31 -5.358 39.827 29.775 243 2HH1 ARG 31 1HH1 ARG 31 -5.113 41.000 31.165 244 1HH2 ARG 31 1HH2 ARG 31 -8.342 40.673 32.307 245 2HH2 ARG 31 2HH2 ARG 31 -6.688 41.444 32.499 246 H ALA 32 H ALA 32 -7.881 33.894 28.744 247 HA ALA 32 HA ALA 32 -7.418 33.656 31.719 248 1HB ALA 32 2HB ALA 32 -9.650 34.570 30.496 249 2HB ALA 32 3HB ALA 32 -9.864 32.990 29.735 250 3HB ALA 32 1HB ALA 32 -10.077 33.144 31.483 251 H GLN 33 H GLN 33 -7.636 31.252 29.106 252 HA GLN 33 HA GLN 33 -7.509 28.899 30.965 253 1HB GLN 33 1HB GLN 33 -6.431 29.171 28.097 254 2HB GLN 33 2HB GLN 33 -6.414 27.692 29.023 255 1HG GLN 33 1HG GLN 33 -8.967 29.149 28.119 256 2HG GLN 33 2HG GLN 33 -8.214 27.773 27.351 257 1HE2 GLN 33 2HE2 GLN 33 -10.694 27.035 30.488 258 2HE2 GLN 33 1HE2 GLN 33 -10.335 28.730 29.882 259 H THR 34 H THR 34 -5.434 31.508 30.541 260 HA THR 34 HA THR 34 -3.312 30.026 32.134 261 HB THR 34 HB THR 34 -1.553 31.674 31.290 262 HG1 THR 34 HG1 THR 34 -1.972 32.626 29.318 263 1HG2 THR 34 3HG2 THR 34 -2.735 29.667 29.328 264 2HG2 THR 34 1HG2 THR 34 -1.217 30.577 29.112 265 3HG2 THR 34 2HG2 THR 34 -1.387 29.444 30.479 266 H VAL 35 H VAL 35 -5.624 32.623 32.394 267 HA VAL 35 HA VAL 35 -4.009 34.570 33.465 268 HB VAL 35 HB VAL 35 -5.744 35.568 34.975 269 1HG1 VAL 35 2HG1 VAL 35 -5.099 36.470 32.768 270 2HG1 VAL 35 3HG1 VAL 35 -6.428 35.562 32.023 271 3HG1 VAL 35 1HG1 VAL 35 -6.775 36.798 33.232 272 1HG2 VAL 35 1HG2 VAL 35 -7.597 33.436 33.813 273 2HG2 VAL 35 2HG2 VAL 35 -7.429 34.004 35.475 274 3HG2 VAL 35 3HG2 VAL 35 -8.190 35.050 34.277 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.617 36.259 20.167 381 HA SER 48 HA SER 48 6.541 38.465 18.445 382 1HB SER 48 1HB SER 48 5.257 36.770 17.304 383 2HB SER 48 2HB SER 48 6.913 36.213 17.492 384 HG SER 48 HG SER 48 4.702 35.516 19.135 385 H PHE 49 H PHE 49 5.624 37.490 21.629 386 HA PHE 49 HA PHE 49 2.757 38.206 21.434 387 1HB PHE 49 1HB PHE 49 4.621 38.375 23.901 388 2HB PHE 49 2HB PHE 49 2.925 38.764 23.952 389 HD1 PHE 49 HD1 PHE 49 1.215 36.830 23.049 390 HD2 PHE 49 HD2 PHE 49 5.055 36.174 24.939 391 HE1 PHE 49 HE1 PHE 49 0.684 34.496 23.411 392 HE2 PHE 49 HE2 PHE 49 4.502 33.874 25.230 393 HZ PHE 49 HZ PHE 49 2.344 32.972 24.444 394 HA PRO 50 HA PRO 50 3.642 42.743 20.792 395 1HB PRO 50 1HB PRO 50 0.875 43.086 22.050 396 2HB PRO 50 2HB PRO 50 1.555 43.868 20.609 397 1HG PRO 50 1HG PRO 50 -0.144 41.763 20.322 398 2HG PRO 50 2HG PRO 50 1.304 41.853 19.292 399 1HD PRO 50 1HD PRO 50 0.885 40.126 21.792 400 2HD PRO 50 2HD PRO 50 1.656 39.709 20.229 401 H LYS 51 H LYS 51 2.011 42.111 23.945 402 HA LYS 51 HA LYS 51 3.925 43.998 25.382 403 1HB LYS 51 2HB LYS 51 1.447 43.980 25.822 404 2HB LYS 51 1HB LYS 51 1.592 42.347 26.482 405 1HG LYS 51 2HG LYS 51 3.271 43.190 28.172 406 2HG LYS 51 1HG LYS 51 3.168 44.810 27.491 407 1HD LYS 51 2HD LYS 51 0.770 45.003 28.136 408 2HD LYS 51 1HD LYS 51 0.738 43.328 28.691 409 1HE LYS 51 2HE LYS 51 2.404 43.860 30.513 410 2HE LYS 51 1HE LYS 51 2.523 45.530 29.940 411 1HZ LYS 51 3HZ LYS 51 0.153 45.814 30.439 412 2HZ LYS 51 1HZ LYS 51 0.037 44.256 30.976 413 3HZ LYS 51 2HZ LYS 51 0.983 45.342 31.787 414 H ARG 52 H ARG 52 5.587 43.231 26.492 415 HA ARG 52 HA ARG 52 6.061 40.198 26.833 416 1HB ARG 52 1HB ARG 52 7.854 42.372 25.607 417 2HB ARG 52 2HB ARG 52 8.545 40.950 26.353 418 1HG ARG 52 1HG ARG 52 7.625 39.422 24.809 419 2HG ARG 52 2HG ARG 52 6.364 40.496 24.259 420 1HD ARG 52 1HD ARG 52 9.353 41.104 23.705 421 2HD ARG 52 2HD ARG 52 8.419 40.018 22.711 422 HE ARG 52 HE ARG 52 6.950 41.813 21.920 423 1HH1 ARG 52 2HH1 ARG 52 9.620 43.049 23.921 424 2HH1 ARG 52 1HH1 ARG 52 9.378 44.727 23.219 425 1HH2 ARG 52 1HH2 ARG 52 6.770 43.752 21.196 426 2HH2 ARG 52 2HH2 ARG 52 7.874 45.095 21.783 427 HA PRO 53 HA PRO 53 5.807 39.079 28.674 428 1HB PRO 53 1HB PRO 53 4.992 38.748 31.302 429 2HB PRO 53 2HB PRO 53 6.620 38.397 30.727 430 1HG PRO 53 1HG PRO 53 5.647 40.915 32.158 431 2HG PRO 53 2HG PRO 53 7.101 39.949 32.508 432 1HD PRO 53 1HD PRO 53 7.188 42.271 30.981 433 2HD PRO 53 2HD PRO 53 8.300 40.907 30.667 434 H LEU 54 H LEU 54 3.654 38.586 28.419 435 HA LEU 54 HA LEU 54 1.509 40.602 28.858 436 1HB LEU 54 1HB LEU 54 -0.237 38.845 28.566 437 2HB LEU 54 2HB LEU 54 0.689 39.341 27.179 438 HG LEU 54 HG LEU 54 0.798 36.650 28.643 439 1HD1 LEU 54 2HD1 LEU 54 -0.228 37.554 25.859 440 2HD1 LEU 54 3HD1 LEU 54 -0.041 35.866 26.313 441 3HD1 LEU 54 1HD1 LEU 54 -1.177 36.882 27.208 442 1HD2 LEU 54 1HD2 LEU 54 2.586 37.595 26.322 443 2HD2 LEU 54 2HD2 LEU 54 3.104 36.939 27.893 444 3HD2 LEU 54 3HD2 LEU 54 2.313 35.879 26.731 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.802 459 HA ARG 57 HA ARG 57 -0.074 34.178 35.798 460 1HB ARG 57 1HB ARG 57 -0.184 33.051 33.595 461 2HB ARG 57 2HB ARG 57 -1.347 34.344 33.625 462 1HG ARG 57 1HG ARG 57 0.799 35.666 32.359 463 2HG ARG 57 2HG ARG 57 1.140 34.021 31.921 464 1HD ARG 57 1HD ARG 57 -0.241 34.468 30.114 465 2HD ARG 57 2HD ARG 57 -1.532 34.013 31.247 466 HE ARG 57 HE ARG 57 -0.884 36.927 31.417 467 1HH1 ARG 57 2HH1 ARG 57 -2.747 34.773 29.386 468 2HH1 ARG 57 1HH1 ARG 57 -3.739 36.297 28.961 469 1HH2 ARG 57 1HH2 ARG 57 -2.220 38.247 31.229 470 2HH2 ARG 57 2HH2 ARG 57 -3.417 38.091 29.817 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.204 19.623 903 HB THR 116 HB THR 116 -7.850 27.454 19.058 904 HG1 THR 116 HG1 THR 116 -8.712 28.280 20.915 905 1HG2 THR 116 3HG2 THR 116 -10.959 27.368 19.136 906 2HG2 THR 116 1HG2 THR 116 -9.988 28.842 18.989 907 3HG2 THR 116 2HG2 THR 116 -9.947 27.638 17.698 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.513 32.043 20.436 1268 1HN2 BDM 1 1H2 BDM 1 -5.833 29.001 22.129 1269 2HN2 BDM 1 2H2 BDM 1 -6.625 30.599 21.698 1270 1HN4 BDM 1 1H4 BDM 1 -1.772 28.148 21.190 1271 2HN4 BDM 1 2H4 BDM 1 -0.585 29.460 20.698 1272 H6 BDM 1 H6 BDM 1 -3.351 33.135 20.081 1273 1H7 BDM 1 1H7 BDM 1 -0.388 31.758 19.753 1274 2H7 BDM 1 2H7 BDM 1 -0.247 31.633 21.494 1275 H9 BDM 1 H9 BDM 1 -1.811 34.091 22.677 1276 H13 BDM 1 H13 BDM 1 0.314 33.360 19.040 1277 1H14 BDM 1 1H14 BDM 1 2.805 36.129 17.940 1278 2H14 BDM 1 2H14 BDM 1 2.551 36.205 19.718 1279 3H14 BDM 1 3H14 BDM 1 2.489 34.632 18.869 1280 1H15 BDM 1 1H15 BDM 1 -3.184 36.003 23.381 1281 2H15 BDM 1 2H15 BDM 1 -1.795 36.014 24.359 1282 1H16 BDM 1 1H16 BDM 1 -1.876 38.585 24.483 1283 2H16 BDM 1 2H16 BDM 1 -3.341 38.558 23.508 1284 1H17 BDM 1 1H17 BDM 1 -3.094 37.079 26.195 1285 2H17 BDM 1 2H17 BDM 1 -4.564 37.297 25.297 1286 H18 BDM 1 H18 BDM 1 -3.224 39.901 26.069 1287 1H19 BDM 1 1H19 BDM 1 -6.077 38.784 26.369 1288 2H19 BDM 1 2H19 BDM 1 -5.629 40.482 26.434 1289 1H20 BDM 1 1H20 BDM 1 -5.045 40.438 23.979 1290 2H20 BDM 1 2H20 BDM 1 -5.327 38.702 23.923 No H/Q in entry = 1290 Start of MODEL 5 Raw file had 1315 H/Q atoms Start of MODEL 5 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.712 24.270 25.514 24 HA LEU 4 HA LEU 4 -3.624 25.174 25.223 25 1HB LEU 4 1HB LEU 4 -2.692 26.374 27.036 26 2HB LEU 4 2HB LEU 4 -1.079 26.460 26.361 27 HG LEU 4 HG LEU 4 -1.829 28.365 24.859 28 1HD1 LEU 4 3HD1 LEU 4 -4.275 27.934 24.933 29 2HD1 LEU 4 1HD1 LEU 4 -4.328 28.384 26.657 30 3HD1 LEU 4 2HD1 LEU 4 -3.909 29.596 25.423 31 1HD2 LEU 4 2HD2 LEU 4 -0.976 28.789 27.698 32 2HD2 LEU 4 3HD2 LEU 4 -0.814 29.861 26.393 33 3HD2 LEU 4 1HD2 LEU 4 -2.169 30.034 27.303 34 H TRP 5 H TRP 5 -3.958 24.983 22.985 35 HA TRP 5 HA TRP 5 -2.346 26.773 21.261 36 1HB TRP 5 1HB TRP 5 -1.259 25.411 19.816 37 2HB TRP 5 2HB TRP 5 -1.067 24.529 21.295 38 HD1 TRP 5 HD1 TRP 5 -2.336 24.190 17.776 39 HE1 TRP 5 HE1 TRP 5 -3.137 21.739 17.253 40 HE3 TRP 5 HE3 TRP 5 -2.463 22.595 22.607 41 HZ2 TRP 5 HZ2 TRP 5 -3.590 19.454 18.882 42 HZ3 TRP 5 HZ3 TRP 5 -3.024 20.238 23.071 43 HH2 TRP 5 HH2 TRP 5 -3.559 18.676 21.230 44 H ALA 6 H ALA 6 -2.924 26.758 18.975 45 HA ALA 6 HA ALA 6 -5.870 26.294 18.391 46 1HB ALA 6 3HB ALA 6 -4.409 29.008 17.993 47 2HB ALA 6 1HB ALA 6 -6.035 28.622 17.371 48 3HB ALA 6 2HB ALA 6 -5.742 28.668 19.119 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.221 32.468 14.083 136 1HB LEU 19 1HB LEU 19 -1.138 35.241 14.520 137 2HB LEU 19 2HB LEU 19 -2.060 33.780 14.382 138 HG LEU 19 HG LEU 19 0.051 34.006 16.651 139 1HD1 LEU 19 1HD1 LEU 19 -2.773 35.223 16.584 140 2HD1 LEU 19 2HD1 LEU 19 -1.975 34.771 18.085 141 3HD1 LEU 19 3HD1 LEU 19 -1.222 35.992 17.059 142 1HD2 LEU 19 3HD2 LEU 19 -1.188 31.748 16.213 143 2HD2 LEU 19 1HD2 LEU 19 -1.599 32.463 17.797 144 3HD2 LEU 19 2HD2 LEU 19 -2.737 32.601 16.449 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.293 34.165 19.530 193 HA ASP 26 HA ASP 26 -9.686 32.155 21.684 194 1HB ASP 26 1HB ASP 26 -9.906 31.618 19.195 195 2HB ASP 26 2HB ASP 26 -8.561 32.689 18.837 196 H LEU 27 H LEU 27 -8.421 35.143 20.692 197 HA LEU 27 HA LEU 27 -5.934 34.882 22.397 198 1HB LEU 27 1HB LEU 27 -6.979 36.945 20.347 199 2HB LEU 27 2HB LEU 27 -5.629 37.334 21.373 200 HG LEU 27 HG LEU 27 -5.603 34.659 19.828 201 1HD1 LEU 27 3HD1 LEU 27 -5.973 36.371 18.021 202 2HD1 LEU 27 1HD1 LEU 27 -4.434 37.160 18.508 203 3HD1 LEU 27 2HD1 LEU 27 -4.462 35.478 17.942 204 1HD2 LEU 27 3HD2 LEU 27 -3.436 36.541 20.932 205 2HD2 LEU 27 1HD2 LEU 27 -3.917 34.980 21.613 206 3HD2 LEU 27 2HD2 LEU 27 -3.116 35.034 20.042 207 H HIS 28 H HIS 28 -9.070 36.547 22.583 208 HA HIS 28 HA HIS 28 -8.663 37.518 25.360 209 1HB HIS 28 1HB HIS 28 -11.266 36.498 24.075 210 2HB HIS 28 2HB HIS 28 -11.143 37.411 25.566 211 HD1 HIS 28 HD1 HIS 28 -8.951 39.785 24.139 212 HD2 HIS 28 HD2 HIS 28 -12.816 38.284 22.876 213 HE1 HIS 28 HE1 HIS 28 -10.124 41.500 22.754 214 HE2 HIS 28 HE2 HIS 28 -12.468 40.761 21.898 215 H TYR 29 H TYR 29 -9.630 34.241 24.100 216 HA TYR 29 HA TYR 29 -9.888 33.161 26.904 217 1HB TYR 29 1HB TYR 29 -11.446 32.422 25.103 218 2HB TYR 29 2HB TYR 29 -10.179 32.148 23.953 219 HD1 TYR 29 HD1 TYR 29 -8.685 30.121 24.063 220 HD2 TYR 29 HD2 TYR 29 -12.227 30.532 26.485 221 HE1 TYR 29 HE1 TYR 29 -8.788 27.684 24.349 222 HE2 TYR 29 HE2 TYR 29 -12.331 28.090 26.730 223 HH TYR 29 HH TYR 29 -9.891 25.971 25.222 224 H PHE 30 H PHE 30 -7.206 33.276 24.559 225 HA PHE 30 HA PHE 30 -5.472 31.347 25.989 226 1HB PHE 30 1HB PHE 30 -4.892 32.316 23.751 227 2HB PHE 30 2HB PHE 30 -4.694 33.889 24.453 228 HD1 PHE 30 HD2 PHE 30 -2.793 33.789 26.696 229 HD2 PHE 30 HD1 PHE 30 -2.931 31.207 23.275 230 HE1 PHE 30 HE2 PHE 30 -0.474 33.225 27.025 231 HE2 PHE 30 HE1 PHE 30 -0.502 30.839 23.473 232 HZ PHE 30 HZ PHE 30 0.733 31.853 25.356 233 H ARG 31 H ARG 31 -5.912 34.911 26.312 234 HA ARG 31 HA ARG 31 -4.188 35.483 28.509 235 1HB ARG 31 1HB ARG 31 -5.539 37.014 27.019 236 2HB ARG 31 2HB ARG 31 -6.972 36.669 27.987 237 1HG ARG 31 1HG ARG 31 -5.793 37.561 30.049 238 2HG ARG 31 2HG ARG 31 -4.331 37.814 29.099 239 1HD ARG 31 1HD ARG 31 -5.699 39.419 27.586 240 2HD ARG 31 2HD ARG 31 -7.047 39.260 28.721 241 HE ARG 31 HE ARG 31 -4.652 40.067 30.209 242 1HH1 ARG 31 2HH1 ARG 31 -6.927 41.438 27.845 243 2HH1 ARG 31 1HH1 ARG 31 -6.538 43.132 28.434 244 1HH2 ARG 31 1HH2 ARG 31 -4.287 42.035 30.797 245 2HH2 ARG 31 2HH2 ARG 31 -5.144 43.444 29.992 246 H ALA 32 H ALA 32 -7.551 34.275 28.677 247 HA ALA 32 HA ALA 32 -7.369 34.346 31.731 248 1HB ALA 32 2HB ALA 32 -9.322 35.579 30.349 249 2HB ALA 32 3HB ALA 32 -9.762 34.029 29.620 250 3HB ALA 32 1HB ALA 32 -10.034 34.283 31.348 251 H GLN 33 H GLN 33 -7.692 31.914 29.187 252 HA GLN 33 HA GLN 33 -8.184 29.627 31.041 253 1HB GLN 33 1HB GLN 33 -6.639 29.760 28.385 254 2HB GLN 33 2HB GLN 33 -6.697 28.309 29.350 255 1HG GLN 33 1HG GLN 33 -9.223 29.678 28.235 256 2HG GLN 33 2HG GLN 33 -8.328 28.406 27.438 257 1HE2 GLN 33 2HE2 GLN 33 -10.966 27.300 30.325 258 2HE2 GLN 33 1HE2 GLN 33 -10.695 29.049 29.841 259 H THR 34 H THR 34 -5.280 31.444 29.984 260 HA THR 34 HA THR 34 -3.703 30.237 32.297 261 HB THR 34 HB THR 34 -1.677 31.315 31.301 262 HG1 THR 34 HG1 THR 34 -1.810 32.014 29.186 263 1HG2 THR 34 2HG2 THR 34 -2.213 28.941 30.850 264 2HG2 THR 34 3HG2 THR 34 -3.026 29.421 29.334 265 3HG2 THR 34 1HG2 THR 34 -1.283 29.751 29.584 266 H VAL 35 H VAL 35 -5.830 32.738 32.536 267 HA VAL 35 HA VAL 35 -4.103 34.755 33.609 268 HB VAL 35 HB VAL 35 -5.762 35.456 35.399 269 1HG1 VAL 35 2HG1 VAL 35 -5.162 36.810 33.449 270 2HG1 VAL 35 3HG1 VAL 35 -6.494 36.098 32.519 271 3HG1 VAL 35 1HG1 VAL 35 -6.835 37.028 33.982 272 1HG2 VAL 35 2HG2 VAL 35 -7.398 33.613 35.433 273 2HG2 VAL 35 3HG2 VAL 35 -8.155 35.144 34.990 274 3HG2 VAL 35 1HG2 VAL 35 -7.833 33.926 33.747 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.587 36.264 20.194 381 HA SER 48 HA SER 48 6.483 38.496 18.507 382 1HB SER 48 1HB SER 48 5.220 36.805 17.335 383 2HB SER 48 2HB SER 48 6.888 36.278 17.493 384 HG SER 48 HG SER 48 4.708 35.494 19.140 385 H PHE 49 H PHE 49 5.622 37.521 21.696 386 HA PHE 49 HA PHE 49 2.722 38.124 21.512 387 1HB PHE 49 1HB PHE 49 4.570 38.387 23.973 388 2HB PHE 49 2HB PHE 49 2.859 38.708 24.012 389 HD1 PHE 49 HD1 PHE 49 1.223 36.655 23.109 390 HD2 PHE 49 HD2 PHE 49 5.068 36.233 25.081 391 HE1 PHE 49 HE1 PHE 49 0.851 34.290 23.460 392 HE2 PHE 49 HE2 PHE 49 4.599 33.926 25.420 393 HZ PHE 49 HZ PHE 49 2.505 32.907 24.590 394 HA PRO 50 HA PRO 50 3.422 42.658 20.744 395 1HB PRO 50 1HB PRO 50 0.663 42.929 22.039 396 2HB PRO 50 2HB PRO 50 1.292 43.703 20.570 397 1HG PRO 50 1HG PRO 50 -0.326 41.529 20.354 398 2HG PRO 50 2HG PRO 50 1.105 41.649 19.304 399 1HD PRO 50 1HD PRO 50 0.780 39.969 21.849 400 2HD PRO 50 2HD PRO 50 1.550 39.543 20.288 401 H LYS 51 H LYS 51 1.879 42.054 23.941 402 HA LYS 51 HA LYS 51 3.785 44.014 25.296 403 1HB LYS 51 2HB LYS 51 1.313 43.960 25.795 404 2HB LYS 51 1HB LYS 51 1.509 42.344 26.483 405 1HG LYS 51 2HG LYS 51 3.223 43.267 28.107 406 2HG LYS 51 1HG LYS 51 3.040 44.870 27.406 407 1HD LYS 51 2HD LYS 51 0.659 44.989 28.121 408 2HD LYS 51 1HD LYS 51 0.699 43.321 28.692 409 1HE LYS 51 2HE LYS 51 2.394 43.926 30.463 410 2HE LYS 51 1HE LYS 51 2.438 45.594 29.874 411 1HZ LYS 51 3HZ LYS 51 0.073 45.798 30.434 412 2HZ LYS 51 1HZ LYS 51 0.028 44.241 30.987 413 3HZ LYS 51 2HZ LYS 51 0.955 45.367 31.763 414 H ARG 52 H ARG 52 5.483 43.281 26.388 415 HA ARG 52 HA ARG 52 5.999 40.257 26.747 416 1HB ARG 52 1HB ARG 52 7.742 42.456 25.502 417 2HB ARG 52 2HB ARG 52 8.480 41.087 26.299 418 1HG ARG 52 1HG ARG 52 7.658 39.478 24.794 419 2HG ARG 52 2HG ARG 52 6.340 40.461 24.211 420 1HD ARG 52 1HD ARG 52 9.287 41.241 23.643 421 2HD ARG 52 2HD ARG 52 8.445 40.047 22.692 422 HE ARG 52 HE ARG 52 6.862 41.691 21.808 423 1HH1 ARG 52 2HH1 ARG 52 9.393 43.212 23.792 424 2HH1 ARG 52 1HH1 ARG 52 9.033 44.837 23.018 425 1HH2 ARG 52 1HH2 ARG 52 6.543 43.579 21.002 426 2HH2 ARG 52 2HH2 ARG 52 7.529 45.027 21.547 427 HA PRO 53 HA PRO 53 5.754 39.124 28.578 428 1HB PRO 53 1HB PRO 53 4.933 38.775 31.204 429 2HB PRO 53 2HB PRO 53 6.564 38.441 30.632 430 1HG PRO 53 1HG PRO 53 5.567 40.941 32.073 431 2HG PRO 53 2HG PRO 53 7.031 39.988 32.418 432 1HD PRO 53 1HD PRO 53 7.095 42.320 30.904 433 2HD PRO 53 2HD PRO 53 8.220 40.969 30.583 434 H LEU 54 H LEU 54 3.608 38.572 28.380 435 HA LEU 54 HA LEU 54 1.395 40.515 28.784 436 1HB LEU 54 1HB LEU 54 -0.267 38.602 28.719 437 2HB LEU 54 2HB LEU 54 0.516 39.087 27.248 438 HG LEU 54 HG LEU 54 0.920 36.533 28.873 439 1HD1 LEU 54 1HD1 LEU 54 -1.125 36.762 27.303 440 2HD1 LEU 54 2HD1 LEU 54 0.004 36.880 25.942 441 3HD1 LEU 54 3HD1 LEU 54 -0.048 35.410 26.919 442 1HD2 LEU 54 1HD2 LEU 54 2.546 37.509 26.428 443 2HD2 LEU 54 2HD2 LEU 54 3.178 36.899 27.970 444 3HD2 LEU 54 3HD2 LEU 54 2.410 35.787 26.840 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.868 36.850 34.805 459 HA ARG 57 HA ARG 57 -0.091 34.163 35.780 460 1HB ARG 57 1HB ARG 57 -0.199 33.114 33.519 461 2HB ARG 57 2HB ARG 57 -1.319 34.449 33.572 462 1HG ARG 57 1HG ARG 57 0.829 35.772 32.385 463 2HG ARG 57 2HG ARG 57 1.212 34.142 31.929 464 1HD ARG 57 1HD ARG 57 -0.085 34.619 30.086 465 2HD ARG 57 2HD ARG 57 -1.425 34.102 31.117 466 HE ARG 57 HE ARG 57 -0.981 36.987 31.543 467 1HH1 ARG 57 2HH1 ARG 57 -2.243 34.933 29.067 468 2HH1 ARG 57 1HH1 ARG 57 -3.043 36.451 28.343 469 1HH2 ARG 57 1HH2 ARG 57 -2.112 38.401 30.884 470 2HH2 ARG 57 2HH2 ARG 57 -2.986 38.227 29.278 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.964 25.212 19.625 903 HB THR 116 HB THR 116 -7.827 27.412 19.044 904 HG1 THR 116 HG1 THR 116 -8.666 28.281 20.905 905 1HG2 THR 116 3HG2 THR 116 -10.930 27.436 19.146 906 2HG2 THR 116 1HG2 THR 116 -9.900 28.871 18.971 907 3HG2 THR 116 2HG2 THR 116 -9.925 27.649 17.694 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.475 31.838 20.509 1268 1HN2 BDM 1 1H2 BDM 1 -6.510 30.398 21.704 1269 2HN2 BDM 1 2H2 BDM 1 -5.689 28.817 22.141 1270 1HN4 BDM 1 1H4 BDM 1 -1.647 28.012 21.122 1271 2HN4 BDM 1 2H4 BDM 1 -0.491 29.320 20.549 1272 H6 BDM 1 H6 BDM 1 -3.318 32.976 19.988 1273 1H7 BDM 1 1H7 BDM 1 -0.438 31.703 19.430 1274 2H7 BDM 1 2H7 BDM 1 -0.054 31.361 21.105 1275 H9 BDM 1 H9 BDM 1 -1.532 33.558 22.749 1276 H13 BDM 1 H13 BDM 1 0.359 33.451 18.934 1277 1H14 BDM 1 1H14 BDM 1 2.408 34.707 18.621 1278 2H14 BDM 1 2H14 BDM 1 2.752 36.391 18.132 1279 3H14 BDM 1 3H14 BDM 1 2.616 35.967 19.869 1280 1H15 BDM 1 1H15 BDM 1 -3.080 35.110 23.762 1281 2H15 BDM 1 2H15 BDM 1 -1.813 35.673 24.799 1282 1H16 BDM 1 1H16 BDM 1 -3.993 37.420 23.478 1283 2H16 BDM 1 2H16 BDM 1 -3.938 36.949 25.160 1284 1H17 BDM 1 1H17 BDM 1 -2.307 39.038 23.646 1285 2H17 BDM 1 2H17 BDM 1 -1.414 38.230 24.914 1286 H18 BDM 1 H18 BDM 1 -2.665 40.389 25.578 1287 1H19 BDM 1 1H19 BDM 1 -4.546 39.187 24.033 1288 2H19 BDM 1 2H19 BDM 1 -5.118 38.535 25.529 1289 1H20 BDM 1 1H20 BDM 1 -5.084 41.197 26.245 1290 2H20 BDM 1 2H20 BDM 1 -5.118 41.429 24.511 No H/Q in entry = 1290 Start of MODEL 6 Raw file had 1315 H/Q atoms Start of MODEL 6 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.711 24.268 25.512 24 HA LEU 4 HA LEU 4 -3.623 25.168 25.217 25 1HB LEU 4 1HB LEU 4 -2.700 26.374 27.032 26 2HB LEU 4 2HB LEU 4 -1.082 26.451 26.367 27 HG LEU 4 HG LEU 4 -1.800 28.342 24.856 28 1HD1 LEU 4 1HD1 LEU 4 -4.256 27.897 24.897 29 2HD1 LEU 4 2HD1 LEU 4 -4.332 28.423 26.599 30 3HD1 LEU 4 3HD1 LEU 4 -3.876 29.572 25.317 31 1HD2 LEU 4 1HD2 LEU 4 -0.988 28.799 27.685 32 2HD2 LEU 4 2HD2 LEU 4 -0.813 29.861 26.373 33 3HD2 LEU 4 3HD2 LEU 4 -2.181 30.041 27.256 34 H TRP 5 H TRP 5 -3.957 24.982 22.979 35 HA TRP 5 HA TRP 5 -2.343 26.775 21.260 36 1HB TRP 5 1HB TRP 5 -1.265 25.416 19.804 37 2HB TRP 5 2HB TRP 5 -1.063 24.534 21.282 38 HD1 TRP 5 HD1 TRP 5 -2.343 24.191 17.771 39 HE1 TRP 5 HE1 TRP 5 -3.142 21.739 17.251 40 HE3 TRP 5 HE3 TRP 5 -2.459 22.599 22.604 41 HZ2 TRP 5 HZ2 TRP 5 -3.592 19.455 18.882 42 HZ3 TRP 5 HZ3 TRP 5 -3.021 20.242 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.558 18.679 21.231 44 H ALA 6 H ALA 6 -2.927 26.777 18.977 45 HA ALA 6 HA ALA 6 -5.872 26.296 18.392 46 1HB ALA 6 3HB ALA 6 -4.429 29.017 17.978 47 2HB ALA 6 1HB ALA 6 -6.060 28.618 17.377 48 3HB ALA 6 2HB ALA 6 -5.746 28.678 19.121 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.235 32.467 14.070 136 1HB LEU 19 1HB LEU 19 -1.156 35.207 14.566 137 2HB LEU 19 2HB LEU 19 -2.058 33.730 14.408 138 HG LEU 19 HG LEU 19 0.083 34.010 16.640 139 1HD1 LEU 19 3HD1 LEU 19 -2.831 35.012 16.649 140 2HD1 LEU 19 1HD1 LEU 19 -1.977 34.575 18.119 141 3HD1 LEU 19 2HD1 LEU 19 -1.323 35.867 17.113 142 1HD2 LEU 19 2HD2 LEU 19 -0.866 31.660 16.157 143 2HD2 LEU 19 3HD2 LEU 19 -1.364 32.264 17.755 144 3HD2 LEU 19 1HD2 LEU 19 -2.514 32.292 16.405 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.321 34.161 19.513 193 HA ASP 26 HA ASP 26 -9.863 31.989 21.521 194 1HB ASP 26 1HB ASP 26 -9.943 31.598 19.038 195 2HB ASP 26 2HB ASP 26 -8.596 32.701 18.787 196 H LEU 27 H LEU 27 -8.289 34.933 20.759 197 HA LEU 27 HA LEU 27 -6.057 34.373 22.711 198 1HB LEU 27 1HB LEU 27 -6.705 36.748 20.859 199 2HB LEU 27 2HB LEU 27 -5.545 36.844 22.156 200 HG LEU 27 HG LEU 27 -4.511 34.590 21.158 201 1HD1 LEU 27 3HD1 LEU 27 -5.814 35.657 18.562 202 2HD1 LEU 27 1HD1 LEU 27 -4.520 34.446 18.659 203 3HD1 LEU 27 2HD1 LEU 27 -6.111 34.062 19.306 204 1HD2 LEU 27 1HD2 LEU 27 -3.426 36.758 21.384 205 2HD2 LEU 27 2HD2 LEU 27 -2.931 35.851 19.947 206 3HD2 LEU 27 3HD2 LEU 27 -4.013 37.280 19.809 207 H HIS 28 H HIS 28 -9.201 35.997 22.804 208 HA HIS 28 HA HIS 28 -8.937 36.853 25.654 209 1HB HIS 28 1HB HIS 28 -11.478 36.020 24.124 210 2HB HIS 28 2HB HIS 28 -11.451 36.708 25.732 211 HD1 HIS 28 HD1 HIS 28 -9.601 39.330 25.562 212 HD2 HIS 28 HD2 HIS 28 -12.146 37.898 22.379 213 HE1 HIS 28 HE1 HIS 28 -10.178 41.192 24.042 214 HE2 HIS 28 HE2 HIS 28 -11.705 40.523 22.062 215 H TYR 29 H TYR 29 -9.822 33.678 24.176 216 HA TYR 29 HA TYR 29 -9.939 32.343 26.882 217 1HB TYR 29 1HB TYR 29 -11.377 31.576 24.974 218 2HB TYR 29 2HB TYR 29 -10.048 31.493 23.864 219 HD1 TYR 29 HD1 TYR 29 -8.362 29.608 23.961 220 HD2 TYR 29 HD2 TYR 29 -12.006 29.570 26.258 221 HE1 TYR 29 HE1 TYR 29 -8.248 27.160 24.118 222 HE2 TYR 29 HE2 TYR 29 -11.888 27.119 26.386 223 HH TYR 29 HH TYR 29 -9.220 25.310 24.858 224 H PHE 30 H PHE 30 -7.314 32.955 24.497 225 HA PHE 30 HA PHE 30 -5.321 31.192 25.760 226 1HB PHE 30 1HB PHE 30 -4.853 32.463 23.609 227 2HB PHE 30 2HB PHE 30 -4.757 33.950 24.508 228 HD1 PHE 30 HD2 PHE 30 -2.873 34.019 26.531 229 HD2 PHE 30 HD1 PHE 30 -2.905 31.164 23.344 230 HE1 PHE 30 HE2 PHE 30 -0.534 33.472 26.982 231 HE2 PHE 30 HE1 PHE 30 -0.485 30.809 23.636 232 HZ PHE 30 HZ PHE 30 0.691 31.936 25.494 233 H ARG 31 H ARG 31 -6.345 34.551 26.426 234 HA ARG 31 HA ARG 31 -4.706 35.246 28.695 235 1HB ARG 31 1HB ARG 31 -6.172 36.746 27.418 236 2HB ARG 31 2HB ARG 31 -7.620 35.927 27.994 237 1HG ARG 31 1HG ARG 31 -7.195 36.630 30.316 238 2HG ARG 31 2HG ARG 31 -5.588 37.238 29.907 239 1HD ARG 31 1HD ARG 31 -6.660 39.021 28.432 240 2HD ARG 31 2HD ARG 31 -8.247 38.397 28.833 241 HE ARG 31 HE ARG 31 -8.128 39.372 31.044 242 1HH1 ARG 31 2HH1 ARG 31 -5.046 39.890 29.344 243 2HH1 ARG 31 1HH1 ARG 31 -4.564 41.151 30.586 244 1HH2 ARG 31 1HH2 ARG 31 -7.475 40.816 32.390 245 2HH2 ARG 31 2HH2 ARG 31 -5.846 41.637 32.191 246 H ALA 32 H ALA 32 -8.057 33.907 28.779 247 HA ALA 32 HA ALA 32 -7.645 33.640 31.748 248 1HB ALA 32 2HB ALA 32 -9.868 34.533 30.488 249 2HB ALA 32 3HB ALA 32 -10.056 32.952 29.723 250 3HB ALA 32 1HB ALA 32 -10.304 33.104 31.467 251 H GLN 33 H GLN 33 -7.813 31.231 29.136 252 HA GLN 33 HA GLN 33 -7.722 28.875 30.988 253 1HB GLN 33 1HB GLN 33 -6.593 29.159 28.139 254 2HB GLN 33 2HB GLN 33 -6.566 27.679 29.061 255 1HG GLN 33 1HG GLN 33 -9.138 29.098 28.152 256 2HG GLN 33 2HG GLN 33 -8.349 27.751 27.369 257 1HE2 GLN 33 2HE2 GLN 33 -10.837 26.900 30.464 258 2HE2 GLN 33 1HE2 GLN 33 -10.528 28.611 29.875 259 H THR 34 H THR 34 -5.569 31.466 30.519 260 HA THR 34 HA THR 34 -3.535 29.977 32.210 261 HB THR 34 HB THR 34 -1.668 31.423 31.315 262 HG1 THR 34 HG1 THR 34 -1.963 32.256 29.267 263 1HG2 THR 34 2HG2 THR 34 -1.855 29.066 30.708 264 2HG2 THR 34 3HG2 THR 34 -2.909 29.471 29.326 265 3HG2 THR 34 1HG2 THR 34 -1.230 30.076 29.394 266 H VAL 35 H VAL 35 -5.781 32.514 32.505 267 HA VAL 35 HA VAL 35 -4.166 34.530 33.447 268 HB VAL 35 HB VAL 35 -5.901 35.480 35.035 269 1HG1 VAL 35 2HG1 VAL 35 -5.315 36.475 32.900 270 2HG1 VAL 35 3HG1 VAL 35 -6.470 35.433 32.058 271 3HG1 VAL 35 1HG1 VAL 35 -7.048 36.623 33.235 272 1HG2 VAL 35 1HG2 VAL 35 -7.688 33.304 33.844 273 2HG2 VAL 35 2HG2 VAL 35 -7.524 33.833 35.520 274 3HG2 VAL 35 3HG2 VAL 35 -8.327 34.885 34.356 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.592 36.263 20.190 381 HA SER 48 HA SER 48 6.498 38.489 18.491 382 1HB SER 48 1HB SER 48 5.235 36.795 17.323 383 2HB SER 48 2HB SER 48 6.900 36.263 17.493 384 HG SER 48 HG SER 48 4.709 35.497 19.133 385 H PHE 49 H PHE 49 5.617 37.520 21.678 386 HA PHE 49 HA PHE 49 2.725 38.150 21.483 387 1HB PHE 49 1HB PHE 49 4.581 38.383 23.945 388 2HB PHE 49 2HB PHE 49 2.879 38.749 23.990 389 HD1 PHE 49 HD1 PHE 49 1.167 36.769 23.152 390 HD2 PHE 49 HD2 PHE 49 5.053 36.190 24.993 391 HE1 PHE 49 HE1 PHE 49 0.688 34.456 23.522 392 HE2 PHE 49 HE2 PHE 49 4.534 33.886 25.298 393 HZ PHE 49 HZ PHE 49 2.378 32.951 24.540 394 HA PRO 50 HA PRO 50 3.492 42.687 20.738 395 1HB PRO 50 1HB PRO 50 0.712 42.984 21.981 396 2HB PRO 50 2HB PRO 50 1.377 43.753 20.525 397 1HG PRO 50 1HG PRO 50 -0.263 41.598 20.278 398 2HG PRO 50 2HG PRO 50 1.187 41.703 19.252 399 1HD PRO 50 1HD PRO 50 0.801 40.024 21.789 400 2HD PRO 50 2HD PRO 50 1.589 39.590 20.239 401 H LYS 51 H LYS 51 1.873 42.080 23.899 402 HA LYS 51 HA LYS 51 3.773 44.007 25.308 403 1HB LYS 51 2HB LYS 51 1.292 43.979 25.759 404 2HB LYS 51 1HB LYS 51 1.457 42.357 26.441 405 1HG LYS 51 2HG LYS 51 3.150 43.249 28.103 406 2HG LYS 51 1HG LYS 51 3.004 44.857 27.403 407 1HD LYS 51 2HD LYS 51 0.603 44.997 28.069 408 2HD LYS 51 1HD LYS 51 0.627 43.333 28.656 409 1HE LYS 51 2HE LYS 51 2.307 43.951 30.442 410 2HE LYS 51 1HE LYS 51 2.353 45.615 29.841 411 1HZ LYS 51 3HZ LYS 51 -0.019 45.817 30.372 412 2HZ LYS 51 1HZ LYS 51 -0.067 44.264 30.935 413 3HZ LYS 51 2HZ LYS 51 0.848 45.398 31.714 414 H ARG 52 H ARG 52 5.474 43.237 26.351 415 HA ARG 52 HA ARG 52 5.926 40.204 26.725 416 1HB ARG 52 1HB ARG 52 7.729 42.391 25.544 417 2HB ARG 52 2HB ARG 52 8.426 40.997 26.333 418 1HG ARG 52 1HG ARG 52 7.620 39.429 24.784 419 2HG ARG 52 2HG ARG 52 6.319 40.432 24.200 420 1HD ARG 52 1HD ARG 52 9.281 41.191 23.685 421 2HD ARG 52 2HD ARG 52 8.433 40.031 22.698 422 HE ARG 52 HE ARG 52 6.881 41.719 21.836 423 1HH1 ARG 52 2HH1 ARG 52 9.424 43.154 23.870 424 2HH1 ARG 52 1HH1 ARG 52 9.099 44.799 23.126 425 1HH2 ARG 52 1HH2 ARG 52 6.603 43.628 21.067 426 2HH2 ARG 52 2HH2 ARG 52 7.610 45.047 21.648 427 HA PRO 53 HA PRO 53 5.678 39.038 28.542 428 1HB PRO 53 1HB PRO 53 4.831 38.665 31.155 429 2HB PRO 53 2HB PRO 53 6.478 38.357 30.604 430 1HG PRO 53 1HG PRO 53 5.417 40.833 32.045 431 2HG PRO 53 2HG PRO 53 6.885 39.893 32.416 432 1HD PRO 53 1HD PRO 53 6.954 42.232 30.913 433 2HD PRO 53 2HD PRO 53 8.099 40.894 30.608 434 H LEU 54 H LEU 54 3.495 38.428 28.403 435 HA LEU 54 HA LEU 54 1.335 40.449 28.776 436 1HB LEU 54 1HB LEU 54 -0.415 38.662 28.640 437 2HB LEU 54 2HB LEU 54 0.422 39.154 27.200 438 HG LEU 54 HG LEU 54 0.604 36.488 28.682 439 1HD1 LEU 54 3HD1 LEU 54 -1.402 36.859 27.162 440 2HD1 LEU 54 1HD1 LEU 54 -0.306 37.251 25.815 441 3HD1 LEU 54 2HD1 LEU 54 -0.329 35.627 26.483 442 1HD2 LEU 54 1HD2 LEU 54 2.380 37.442 26.358 443 2HD2 LEU 54 2HD2 LEU 54 2.898 36.750 27.915 444 3HD2 LEU 54 3HD2 LEU 54 2.099 35.721 26.725 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.866 36.850 34.797 459 HA ARG 57 HA ARG 57 -0.062 34.185 35.807 460 1HB ARG 57 1HB ARG 57 -0.190 33.051 33.588 461 2HB ARG 57 2HB ARG 57 -1.402 34.288 33.714 462 1HG ARG 57 1HG ARG 57 0.590 35.706 32.314 463 2HG ARG 57 2HG ARG 57 0.943 34.088 31.822 464 1HD ARG 57 1HD ARG 57 -0.591 34.412 30.135 465 2HD ARG 57 2HD ARG 57 -1.836 34.077 31.349 466 HE ARG 57 HE ARG 57 -1.091 36.928 31.469 467 1HH1 ARG 57 2HH1 ARG 57 -2.928 34.936 29.253 468 2HH1 ARG 57 1HH1 ARG 57 -3.940 36.452 28.904 469 1HH2 ARG 57 1HH2 ARG 57 -2.333 38.338 31.182 470 2HH2 ARG 57 2HH2 ARG 57 -3.522 38.218 29.734 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.206 19.624 903 HB THR 116 HB THR 116 -7.843 27.433 19.051 904 HG1 THR 116 HG1 THR 116 -8.693 28.280 20.912 905 1HG2 THR 116 3HG2 THR 116 -10.950 27.390 19.140 906 2HG2 THR 116 1HG2 THR 116 -9.959 28.852 18.989 907 3HG2 THR 116 2HG2 THR 116 -9.940 27.645 17.698 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.489 31.916 20.519 1268 1HN2 BDM 1 1H2 BDM 1 -5.770 28.876 22.173 1269 2HN2 BDM 1 2H2 BDM 1 -6.567 30.473 21.748 1270 1HN4 BDM 1 1H4 BDM 1 -1.719 28.022 21.162 1271 2HN4 BDM 1 2H4 BDM 1 -0.551 29.329 20.618 1272 H6 BDM 1 H6 BDM 1 -3.328 33.011 20.067 1273 1H7 BDM 1 1H7 BDM 1 -0.434 31.671 19.559 1274 2H7 BDM 1 2H7 BDM 1 -0.128 31.407 21.265 1275 H9 BDM 1 H9 BDM 1 -1.636 33.707 22.755 1276 H13 BDM 1 H13 BDM 1 0.333 33.362 18.985 1277 1H14 BDM 1 1H14 BDM 1 2.745 36.252 18.033 1278 2H14 BDM 1 2H14 BDM 1 2.583 36.085 19.813 1279 3H14 BDM 1 3H14 BDM 1 2.456 34.645 18.761 1280 1H15 BDM 1 1H15 BDM 1 -3.317 35.637 23.408 1281 2H15 BDM 1 2H15 BDM 1 -2.039 35.600 24.547 1282 1H16 BDM 1 1H16 BDM 1 -1.977 38.187 24.539 1283 2H16 BDM 1 2H16 BDM 1 -3.403 38.171 23.514 1284 1H17 BDM 1 1H17 BDM 1 -3.373 36.865 26.317 1285 2H17 BDM 1 2H17 BDM 1 -4.761 37.160 25.315 1286 H18 BDM 1 H18 BDM 1 -3.367 39.740 25.652 1287 1H19 BDM 1 1H19 BDM 1 -5.553 39.144 24.691 1288 2H19 BDM 1 2H19 BDM 1 -6.070 38.420 26.181 1289 1H20 BDM 1 1H20 BDM 1 -5.948 40.797 27.266 1290 2H20 BDM 1 2H20 BDM 1 -5.649 41.420 25.652 No H/Q in entry = 1290 Start of MODEL 7 Raw file had 1315 H/Q atoms Start of MODEL 7 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.710 24.270 25.510 24 HA LEU 4 HA LEU 4 -3.622 25.185 25.242 25 1HB LEU 4 1HB LEU 4 -2.694 26.358 27.061 26 2HB LEU 4 2HB LEU 4 -1.073 26.444 26.392 27 HG LEU 4 HG LEU 4 -1.781 28.391 24.950 28 1HD1 LEU 4 2HD1 LEU 4 -4.228 27.992 24.963 29 2HD1 LEU 4 3HD1 LEU 4 -4.314 28.398 26.696 30 3HD1 LEU 4 1HD1 LEU 4 -3.854 29.637 25.504 31 1HD2 LEU 4 3HD2 LEU 4 -0.950 28.776 27.808 32 2HD2 LEU 4 1HD2 LEU 4 -0.803 29.873 26.516 33 3HD2 LEU 4 2HD2 LEU 4 -2.163 29.999 27.447 34 H TRP 5 H TRP 5 -3.950 24.979 22.998 35 HA TRP 5 HA TRP 5 -2.347 26.787 21.272 36 1HB TRP 5 1HB TRP 5 -1.258 25.423 19.835 37 2HB TRP 5 2HB TRP 5 -1.072 24.538 21.313 38 HD1 TRP 5 HD1 TRP 5 -2.332 24.208 17.788 39 HE1 TRP 5 HE1 TRP 5 -3.129 21.757 17.256 40 HE3 TRP 5 HE3 TRP 5 -2.469 22.601 22.614 41 HZ2 TRP 5 HZ2 TRP 5 -3.588 19.467 18.879 42 HZ3 TRP 5 HZ3 TRP 5 -3.029 20.242 23.071 43 HH2 TRP 5 HH2 TRP 5 -3.560 18.684 21.225 44 H ALA 6 H ALA 6 -2.927 26.772 18.985 45 HA ALA 6 HA ALA 6 -5.869 26.285 18.398 46 1HB ALA 6 3HB ALA 6 -4.438 29.011 17.978 47 2HB ALA 6 1HB ALA 6 -6.069 28.604 17.383 48 3HB ALA 6 2HB ALA 6 -5.750 28.668 19.126 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.236 32.467 14.069 136 1HB LEU 19 1HB LEU 19 -1.155 35.206 14.569 137 2HB LEU 19 2HB LEU 19 -2.055 33.728 14.417 138 HG LEU 19 HG LEU 19 0.098 34.016 16.638 139 1HD1 LEU 19 1HD1 LEU 19 -2.820 35.004 16.663 140 2HD1 LEU 19 2HD1 LEU 19 -1.951 34.577 18.128 141 3HD1 LEU 19 3HD1 LEU 19 -1.314 35.870 17.112 142 1HD2 LEU 19 2HD2 LEU 19 -0.843 31.663 16.160 143 2HD2 LEU 19 3HD2 LEU 19 -1.336 32.265 17.760 144 3HD2 LEU 19 1HD2 LEU 19 -2.493 32.287 16.415 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.279 34.173 19.533 193 HA ASP 26 HA ASP 26 -9.823 32.057 21.611 194 1HB ASP 26 1HB ASP 26 -9.937 31.605 19.116 195 2HB ASP 26 2HB ASP 26 -8.592 32.700 18.827 196 H LEU 27 H LEU 27 -8.250 34.962 20.711 197 HA LEU 27 HA LEU 27 -5.996 34.529 22.673 198 1HB LEU 27 1HB LEU 27 -6.759 36.762 20.668 199 2HB LEU 27 2HB LEU 27 -5.598 37.014 21.930 200 HG LEU 27 HG LEU 27 -4.567 34.632 21.029 201 1HD1 LEU 27 3HD1 LEU 27 -5.708 35.782 18.402 202 2HD1 LEU 27 1HD1 LEU 27 -4.503 34.487 18.563 203 3HD1 LEU 27 2HD1 LEU 27 -6.148 34.213 19.133 204 1HD2 LEU 27 3HD2 LEU 27 -3.450 36.733 21.386 205 2HD2 LEU 27 1HD2 LEU 27 -2.907 35.886 19.924 206 3HD2 LEU 27 2HD2 LEU 27 -3.934 37.358 19.816 207 H HIS 28 H HIS 28 -9.119 36.224 22.700 208 HA HIS 28 HA HIS 28 -8.807 37.233 25.479 209 1HB HIS 28 1HB HIS 28 -11.390 36.207 24.135 210 2HB HIS 28 2HB HIS 28 -11.303 37.175 25.592 211 HD1 HIS 28 HD1 HIS 28 -9.047 39.399 24.168 212 HD2 HIS 28 HD2 HIS 28 -12.813 37.929 22.684 213 HE1 HIS 28 HE1 HIS 28 -9.887 40.914 22.408 214 HE2 HIS 28 HE2 HIS 28 -12.212 40.231 21.441 215 H TYR 29 H TYR 29 -9.760 33.967 24.204 216 HA TYR 29 HA TYR 29 -9.898 32.805 26.992 217 1HB TYR 29 1HB TYR 29 -11.406 31.981 25.174 218 2HB TYR 29 2HB TYR 29 -10.133 31.860 24.005 219 HD1 TYR 29 HD1 TYR 29 -8.449 29.972 24.061 220 HD2 TYR 29 HD2 TYR 29 -12.038 29.978 26.444 221 HE1 TYR 29 HE1 TYR 29 -8.381 27.521 24.188 222 HE2 TYR 29 HE2 TYR 29 -11.967 27.525 26.540 223 HH TYR 29 HH TYR 29 -9.370 25.682 24.931 224 H PHE 30 H PHE 30 -7.255 33.341 24.691 225 HA PHE 30 HA PHE 30 -5.364 31.517 26.101 226 1HB PHE 30 1HB PHE 30 -4.903 32.550 23.813 227 2HB PHE 30 2HB PHE 30 -4.686 34.096 24.579 228 HD1 PHE 30 HD2 PHE 30 -2.785 33.985 26.728 229 HD2 PHE 30 HD1 PHE 30 -2.968 31.338 23.353 230 HE1 PHE 30 HE2 PHE 30 -0.506 33.294 27.139 231 HE2 PHE 30 HE1 PHE 30 -0.566 30.865 23.613 232 HZ PHE 30 HZ PHE 30 0.675 31.844 25.513 233 H ARG 31 H ARG 31 -6.152 35.033 26.406 234 HA ARG 31 HA ARG 31 -4.424 35.668 28.630 235 1HB ARG 31 1HB ARG 31 -5.714 37.166 27.053 236 2HB ARG 31 2HB ARG 31 -7.174 36.871 27.999 237 1HG ARG 31 1HG ARG 31 -6.065 37.826 30.048 238 2HG ARG 31 2HG ARG 31 -4.540 37.960 29.175 239 1HD ARG 31 1HD ARG 31 -5.716 39.582 27.526 240 2HD ARG 31 2HD ARG 31 -7.138 39.541 28.578 241 HE ARG 31 HE ARG 31 -4.995 40.257 30.333 242 1HH1 ARG 31 2HH1 ARG 31 -6.351 41.659 27.359 243 2HH1 ARG 31 1HH1 ARG 31 -5.802 43.330 27.881 244 1HH2 ARG 31 1HH2 ARG 31 -4.417 42.201 30.825 245 2HH2 ARG 31 2HH2 ARG 31 -4.781 43.613 29.712 246 H ALA 32 H ALA 32 -7.518 33.929 28.757 247 HA ALA 32 HA ALA 32 -7.413 34.106 31.824 248 1HB ALA 32 2HB ALA 32 -9.492 35.153 30.492 249 2HB ALA 32 3HB ALA 32 -9.771 33.586 29.721 250 3HB ALA 32 1HB ALA 32 -10.047 33.759 31.459 251 H GLN 33 H GLN 33 -7.758 31.704 29.170 252 HA GLN 33 HA GLN 33 -7.676 29.364 31.047 253 1HB GLN 33 1HB GLN 33 -6.644 29.528 28.157 254 2HB GLN 33 2HB GLN 33 -6.601 28.088 29.132 255 1HG GLN 33 1HG GLN 33 -9.212 29.506 28.325 256 2HG GLN 33 2HG GLN 33 -8.463 28.168 27.488 257 1HE2 GLN 33 2HE2 GLN 33 -10.761 27.275 30.712 258 2HE2 GLN 33 1HE2 GLN 33 -10.506 28.991 30.115 259 H THR 34 H THR 34 -5.423 31.787 30.071 260 HA THR 34 HA THR 34 -3.758 30.806 32.347 261 HB THR 34 HB THR 34 -1.623 31.714 31.461 262 HG1 THR 34 HG1 THR 34 -1.416 31.975 29.233 263 1HG2 THR 34 2HG2 THR 34 -1.987 29.250 31.353 264 2HG2 THR 34 3HG2 THR 34 -2.671 29.418 29.709 265 3HG2 THR 34 1HG2 THR 34 -0.977 29.835 30.021 266 H VAL 35 H VAL 35 -5.652 32.247 32.973 267 HA VAL 35 HA VAL 35 -4.218 34.798 33.662 268 HB VAL 35 HB VAL 35 -5.808 35.087 35.648 269 1HG1 VAL 35 2HG1 VAL 35 -5.571 36.695 33.762 270 2HG1 VAL 35 3HG1 VAL 35 -6.934 35.903 32.938 271 3HG1 VAL 35 1HG1 VAL 35 -7.173 36.666 34.514 272 1HG2 VAL 35 2HG2 VAL 35 -7.196 32.992 35.456 273 2HG2 VAL 35 3HG2 VAL 35 -8.151 34.482 35.441 274 3HG2 VAL 35 1HG2 VAL 35 -7.870 33.602 33.928 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.587 36.264 20.195 381 HA SER 48 HA SER 48 6.485 38.493 18.505 382 1HB SER 48 1HB SER 48 5.227 36.801 17.330 383 2HB SER 48 2HB SER 48 6.895 36.276 17.492 384 HG SER 48 HG SER 48 4.712 35.489 19.133 385 H PHE 49 H PHE 49 5.607 37.494 21.689 386 HA PHE 49 HA PHE 49 2.714 38.132 21.495 387 1HB PHE 49 1HB PHE 49 4.553 38.357 23.967 388 2HB PHE 49 2HB PHE 49 2.847 38.704 24.000 389 HD1 PHE 49 HD1 PHE 49 1.180 36.683 23.103 390 HD2 PHE 49 HD2 PHE 49 5.024 36.194 25.056 391 HE1 PHE 49 HE1 PHE 49 0.756 34.337 23.452 392 HE2 PHE 49 HE2 PHE 49 4.522 33.894 25.398 393 HZ PHE 49 HZ PHE 49 2.407 32.907 24.579 394 HA PRO 50 HA PRO 50 3.517 42.660 20.750 395 1HB PRO 50 1HB PRO 50 0.736 42.981 21.988 396 2HB PRO 50 2HB PRO 50 1.410 43.746 20.534 397 1HG PRO 50 1HG PRO 50 -0.243 41.603 20.279 398 2HG PRO 50 2HG PRO 50 1.212 41.697 19.260 399 1HD PRO 50 1HD PRO 50 0.802 40.019 21.794 400 2HD PRO 50 2HD PRO 50 1.596 39.581 20.248 401 H LYS 51 H LYS 51 1.899 42.071 23.914 402 HA LYS 51 HA LYS 51 3.802 44.002 25.312 403 1HB LYS 51 2HB LYS 51 1.322 43.963 25.776 404 2HB LYS 51 1HB LYS 51 1.498 42.343 26.460 405 1HG LYS 51 2HG LYS 51 3.197 43.247 28.109 406 2HG LYS 51 1HG LYS 51 3.039 44.853 27.409 407 1HD LYS 51 2HD LYS 51 0.646 44.988 28.091 408 2HD LYS 51 1HD LYS 51 0.672 43.322 28.671 409 1HE LYS 51 2HE LYS 51 2.355 43.929 30.454 410 2HE LYS 51 1HE LYS 51 2.409 45.595 29.858 411 1HZ LYS 51 3HZ LYS 51 0.039 45.807 30.397 412 2HZ LYS 51 1HZ LYS 51 -0.016 44.253 30.955 413 3HZ LYS 51 2HZ LYS 51 0.908 45.380 31.735 414 H ARG 52 H ARG 52 5.496 43.245 26.383 415 HA ARG 52 HA ARG 52 5.973 40.214 26.742 416 1HB ARG 52 1HB ARG 52 7.754 42.408 25.542 417 2HB ARG 52 2HB ARG 52 8.468 41.024 26.334 418 1HG ARG 52 1HG ARG 52 7.663 39.442 24.798 419 2HG ARG 52 2HG ARG 52 6.349 40.431 24.219 420 1HD ARG 52 1HD ARG 52 9.302 41.205 23.675 421 2HD ARG 52 2HD ARG 52 8.451 40.038 22.701 422 HE ARG 52 HE ARG 52 6.883 41.714 21.846 423 1HH1 ARG 52 2HH1 ARG 52 9.440 43.169 23.846 424 2HH1 ARG 52 1HH1 ARG 52 9.107 44.808 23.091 425 1HH2 ARG 52 1HH2 ARG 52 6.596 43.616 21.062 426 2HH2 ARG 52 2HH2 ARG 52 7.607 45.041 21.623 427 HA PRO 53 HA PRO 53 5.707 39.064 28.561 428 1HB PRO 53 1HB PRO 53 4.868 38.694 31.176 429 2HB PRO 53 2HB PRO 53 6.509 38.373 30.617 430 1HG PRO 53 1HG PRO 53 5.477 40.857 32.067 431 2HG PRO 53 2HG PRO 53 6.941 39.907 32.426 432 1HD PRO 53 1HD PRO 53 7.014 42.248 30.926 433 2HD PRO 53 2HD PRO 53 8.151 40.905 30.614 434 H LEU 54 H LEU 54 3.535 38.490 28.386 435 HA LEU 54 HA LEU 54 1.370 40.495 28.789 436 1HB LEU 54 1HB LEU 54 -0.367 38.691 28.645 437 2HB LEU 54 2HB LEU 54 0.466 39.179 27.203 438 HG LEU 54 HG LEU 54 0.642 36.551 28.731 439 1HD1 LEU 54 1HD1 LEU 54 -1.305 36.894 27.108 440 2HD1 LEU 54 2HD1 LEU 54 -0.152 37.168 25.790 441 3HD1 LEU 54 3HD1 LEU 54 -0.238 35.590 26.578 442 1HD2 LEU 54 3HD2 LEU 54 2.481 37.464 26.427 443 2HD2 LEU 54 1HD2 LEU 54 2.958 36.783 27.999 444 3HD2 LEU 54 2HD2 LEU 54 2.191 35.748 26.793 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.868 36.850 34.805 459 HA ARG 57 HA ARG 57 -0.102 34.152 35.767 460 1HB ARG 57 1HB ARG 57 -0.136 33.147 33.448 461 2HB ARG 57 2HB ARG 57 -1.307 34.435 33.512 462 1HG ARG 57 1HG ARG 57 0.801 35.895 32.430 463 2HG ARG 57 2HG ARG 57 1.321 34.304 31.978 464 1HD ARG 57 1HD ARG 57 0.170 34.844 30.059 465 2HD ARG 57 2HD ARG 57 -1.146 34.068 30.907 466 HE ARG 57 HE ARG 57 -1.095 37.004 31.498 467 1HH1 ARG 57 2HH1 ARG 57 -2.186 34.819 29.015 468 2HH1 ARG 57 1HH1 ARG 57 -3.119 36.271 28.305 469 1HH2 ARG 57 1HH2 ARG 57 -2.312 38.325 30.801 470 2HH2 ARG 57 2HH2 ARG 57 -3.150 38.027 29.193 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.207 19.623 903 HB THR 116 HB THR 116 -7.839 27.438 19.061 904 HG1 THR 116 HG1 THR 116 -8.698 28.275 20.919 905 1HG2 THR 116 3HG2 THR 116 -10.947 27.397 19.139 906 2HG2 THR 116 1HG2 THR 116 -9.951 28.855 18.984 907 3HG2 THR 116 2HG2 THR 116 -9.935 27.644 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.476 31.955 20.498 1268 1HN2 BDM 1 1H2 BDM 1 -5.784 28.913 22.158 1269 2HN2 BDM 1 2H2 BDM 1 -6.570 30.516 21.735 1270 1HN4 BDM 1 1H4 BDM 1 -0.556 29.334 20.624 1271 2HN4 BDM 1 2H4 BDM 1 -1.735 28.033 21.162 1272 H6 BDM 1 H6 BDM 1 -3.314 33.039 20.082 1273 1H7 BDM 1 1H7 BDM 1 -0.422 31.680 19.567 1274 2H7 BDM 1 2H7 BDM 1 -0.127 31.417 21.275 1275 H9 BDM 1 H9 BDM 1 -1.719 33.723 22.714 1276 H13 BDM 1 H13 BDM 1 0.380 33.384 19.014 1277 1H14 BDM 1 1H14 BDM 1 2.457 34.663 18.722 1278 2H14 BDM 1 2H14 BDM 1 2.750 36.289 18.039 1279 3H14 BDM 1 3H14 BDM 1 2.612 36.070 19.815 1280 1H15 BDM 1 1H15 BDM 1 -3.188 35.290 23.504 1281 2H15 BDM 1 2H15 BDM 1 -1.973 35.734 24.623 1282 1H16 BDM 1 1H16 BDM 1 -4.177 37.528 23.485 1283 2H16 BDM 1 2H16 BDM 1 -3.999 36.976 25.124 1284 1H17 BDM 1 1H17 BDM 1 -2.630 39.245 23.653 1285 2H17 BDM 1 2H17 BDM 1 -1.608 38.444 24.815 1286 H18 BDM 1 H18 BDM 1 -2.918 40.466 25.677 1287 1H19 BDM 1 1H19 BDM 1 -5.295 38.518 25.624 1288 2H19 BDM 1 2H19 BDM 1 -5.318 40.180 26.194 1289 1H20 BDM 1 1H20 BDM 1 -4.899 41.006 23.834 1290 2H20 BDM 1 2H20 BDM 1 -4.835 39.348 23.258 No H/Q in entry = 1290 Start of MODEL 8 Raw file had 1315 H/Q atoms Start of MODEL 8 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.714 24.273 25.515 24 HA LEU 4 HA LEU 4 -3.628 25.172 25.224 25 1HB LEU 4 1HB LEU 4 -2.711 26.368 27.047 26 2HB LEU 4 2HB LEU 4 -1.092 26.455 26.380 27 HG LEU 4 HG LEU 4 -1.818 28.363 24.898 28 1HD1 LEU 4 2HD1 LEU 4 -4.271 27.958 24.939 29 2HD1 LEU 4 3HD1 LEU 4 -4.337 28.425 26.658 30 3HD1 LEU 4 1HD1 LEU 4 -3.882 29.620 25.417 31 1HD2 LEU 4 3HD2 LEU 4 -0.959 28.787 27.707 32 2HD2 LEU 4 1HD2 LEU 4 -0.819 29.866 26.403 33 3HD2 LEU 4 2HD2 LEU 4 -2.164 30.027 27.341 34 H TRP 5 H TRP 5 -3.958 24.998 22.983 35 HA TRP 5 HA TRP 5 -2.342 26.801 21.269 36 1HB TRP 5 1HB TRP 5 -1.263 25.436 19.815 37 2HB TRP 5 2HB TRP 5 -1.065 24.554 21.293 38 HD1 TRP 5 HD1 TRP 5 -2.339 24.214 17.779 39 HE1 TRP 5 HE1 TRP 5 -3.134 21.761 17.254 40 HE3 TRP 5 HE3 TRP 5 -2.464 22.614 22.610 41 HZ2 TRP 5 HZ2 TRP 5 -3.590 19.474 18.881 42 HZ3 TRP 5 HZ3 TRP 5 -3.028 20.256 23.071 43 HH2 TRP 5 HH2 TRP 5 -3.560 18.696 21.228 44 H ALA 6 H ALA 6 -2.928 26.794 18.978 45 HA ALA 6 HA ALA 6 -5.870 26.296 18.396 46 1HB ALA 6 3HB ALA 6 -4.446 29.024 17.963 47 2HB ALA 6 1HB ALA 6 -6.080 28.612 17.381 48 3HB ALA 6 2HB ALA 6 -5.749 28.684 19.123 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.236 32.467 14.069 136 1HB LEU 19 1HB LEU 19 -1.158 35.206 14.565 137 2HB LEU 19 2HB LEU 19 -2.056 33.726 14.415 138 HG LEU 19 HG LEU 19 0.094 34.018 16.639 139 1HD1 LEU 19 2HD1 LEU 19 -2.824 35.011 16.659 140 2HD1 LEU 19 3HD1 LEU 19 -1.951 34.595 18.126 141 3HD1 LEU 19 1HD1 LEU 19 -1.316 35.880 17.098 142 1HD2 LEU 19 2HD2 LEU 19 -0.856 31.666 16.170 143 2HD2 LEU 19 3HD2 LEU 19 -1.347 32.277 17.767 144 3HD2 LEU 19 1HD2 LEU 19 -2.503 32.298 16.421 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.303 34.168 19.522 193 HA ASP 26 HA ASP 26 -9.845 32.019 21.557 194 1HB ASP 26 1HB ASP 26 -9.940 31.624 19.059 195 2HB ASP 26 2HB ASP 26 -8.589 32.723 18.804 196 H LEU 27 H LEU 27 -8.261 34.951 20.725 197 HA LEU 27 HA LEU 27 -6.041 34.466 22.707 198 1HB LEU 27 1HB LEU 27 -6.737 36.789 20.800 199 2HB LEU 27 2HB LEU 27 -5.580 36.940 22.092 200 HG LEU 27 HG LEU 27 -4.478 34.705 21.144 201 1HD1 LEU 27 2HD1 LEU 27 -5.844 35.650 18.530 202 2HD1 LEU 27 3HD1 LEU 27 -4.505 34.492 18.646 203 3HD1 LEU 27 1HD1 LEU 27 -6.073 34.065 19.321 204 1HD2 LEU 27 1HD2 LEU 27 -3.486 36.927 21.296 205 2HD2 LEU 27 2HD2 LEU 27 -2.958 36.002 19.878 206 3HD2 LEU 27 3HD2 LEU 27 -4.109 37.373 19.710 207 H HIS 28 H HIS 28 -9.187 36.126 22.737 208 HA HIS 28 HA HIS 28 -8.963 37.068 25.556 209 1HB HIS 28 1HB HIS 28 -11.455 36.075 24.018 210 2HB HIS 28 2HB HIS 28 -11.496 36.784 25.613 211 HD1 HIS 28 HD1 HIS 28 -9.846 39.485 25.473 212 HD2 HIS 28 HD2 HIS 28 -12.228 37.904 22.249 213 HE1 HIS 28 HE1 HIS 28 -10.602 41.334 23.991 214 HE2 HIS 28 HE2 HIS 28 -12.051 40.564 21.991 215 H TYR 29 H TYR 29 -9.812 33.822 24.189 216 HA TYR 29 HA TYR 29 -9.909 32.578 26.941 217 1HB TYR 29 1HB TYR 29 -11.370 31.756 25.078 218 2HB TYR 29 2HB TYR 29 -10.072 31.685 23.933 219 HD1 TYR 29 HD1 TYR 29 -8.338 29.835 24.008 220 HD2 TYR 29 HD2 TYR 29 -11.983 29.723 26.300 221 HE1 TYR 29 HE1 TYR 29 -8.215 27.385 24.101 222 HE2 TYR 29 HE2 TYR 29 -11.856 27.271 26.364 223 HH TYR 29 HH TYR 29 -9.180 25.512 24.792 224 H PHE 30 H PHE 30 -7.283 33.233 24.624 225 HA PHE 30 HA PHE 30 -5.313 31.464 25.963 226 1HB PHE 30 1HB PHE 30 -4.859 32.637 23.742 227 2HB PHE 30 2HB PHE 30 -4.701 34.151 24.589 228 HD1 PHE 30 HD2 PHE 30 -2.841 34.068 26.717 229 HD2 PHE 30 HD1 PHE 30 -2.910 31.408 23.352 230 HE1 PHE 30 HE2 PHE 30 -0.568 33.376 27.206 231 HE2 PHE 30 HE1 PHE 30 -0.512 30.948 23.681 232 HZ PHE 30 HZ PHE 30 0.662 31.922 25.627 233 H ARG 31 H ARG 31 -6.248 34.915 26.437 234 HA ARG 31 HA ARG 31 -4.617 35.665 28.656 235 1HB ARG 31 1HB ARG 31 -6.119 37.126 27.377 236 2HB ARG 31 2HB ARG 31 -7.547 36.364 28.069 237 1HG ARG 31 1HG ARG 31 -6.913 37.152 30.361 238 2HG ARG 31 2HG ARG 31 -5.392 37.802 29.754 239 1HD ARG 31 1HD ARG 31 -6.676 39.461 28.314 240 2HD ARG 31 2HD ARG 31 -8.190 38.785 28.879 241 HE ARG 31 HE ARG 31 -7.937 39.870 31.025 242 1HH1 ARG 31 2HH1 ARG 31 -5.038 40.449 29.046 243 2HH1 ARG 31 1HH1 ARG 31 -4.521 41.794 30.183 244 1HH2 ARG 31 1HH2 ARG 31 -7.251 41.411 32.242 245 2HH2 ARG 31 2HH2 ARG 31 -5.690 42.299 31.867 246 H ALA 32 H ALA 32 -7.730 33.886 28.776 247 HA ALA 32 HA ALA 32 -7.479 33.866 31.821 248 1HB ALA 32 2HB ALA 32 -9.618 34.854 30.512 249 2HB ALA 32 3HB ALA 32 -9.852 33.283 29.737 250 3HB ALA 32 1HB ALA 32 -10.127 33.439 31.476 251 H GLN 33 H GLN 33 -7.796 31.473 29.168 252 HA GLN 33 HA GLN 33 -7.732 29.109 31.003 253 1HB GLN 33 1HB GLN 33 -6.642 29.363 28.138 254 2HB GLN 33 2HB GLN 33 -6.617 27.887 29.061 255 1HG GLN 33 1HG GLN 33 -9.209 29.338 28.254 256 2HG GLN 33 2HG GLN 33 -8.443 28.025 27.393 257 1HE2 GLN 33 2HE2 GLN 33 -10.801 27.040 30.552 258 2HE2 GLN 33 1HE2 GLN 33 -10.518 28.776 30.027 259 H THR 34 H THR 34 -5.464 31.609 30.335 260 HA THR 34 HA THR 34 -3.613 30.200 32.266 261 HB THR 34 HB THR 34 -1.575 31.331 31.263 262 HG1 THR 34 HG1 THR 34 -1.708 31.912 29.110 263 1HG2 THR 34 2HG2 THR 34 -2.048 28.930 30.948 264 2HG2 THR 34 3HG2 THR 34 -2.860 29.295 29.400 265 3HG2 THR 34 1HG2 THR 34 -1.129 29.674 29.638 266 H VAL 35 H VAL 35 -5.794 32.567 32.528 267 HA VAL 35 HA VAL 35 -4.153 34.688 33.541 268 HB VAL 35 HB VAL 35 -5.822 35.336 35.328 269 1HG1 VAL 35 2HG1 VAL 35 -5.425 36.583 33.187 270 2HG1 VAL 35 3HG1 VAL 35 -6.879 35.799 32.525 271 3HG1 VAL 35 1HG1 VAL 35 -6.998 36.805 33.966 272 1HG2 VAL 35 1HG2 VAL 35 -7.766 33.461 33.879 273 2HG2 VAL 35 2HG2 VAL 35 -7.327 33.461 35.592 274 3HG2 VAL 35 3HG2 VAL 35 -8.242 34.813 34.926 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.593 36.263 20.188 381 HA SER 48 HA SER 48 6.514 38.480 18.475 382 1HB SER 48 1HB SER 48 5.240 36.786 17.319 383 2HB SER 48 2HB SER 48 6.901 36.241 17.499 384 HG SER 48 HG SER 48 4.697 35.510 19.139 385 H PHE 49 H PHE 49 5.593 37.492 21.660 386 HA PHE 49 HA PHE 49 2.715 38.168 21.448 387 1HB PHE 49 1HB PHE 49 4.553 38.356 23.925 388 2HB PHE 49 2HB PHE 49 2.855 38.736 23.962 389 HD1 PHE 49 HD1 PHE 49 1.123 36.786 23.117 390 HD2 PHE 49 HD2 PHE 49 5.018 36.144 24.917 391 HE1 PHE 49 HE1 PHE 49 0.611 34.486 23.482 392 HE2 PHE 49 HE2 PHE 49 4.476 33.846 25.212 393 HZ PHE 49 HZ PHE 49 2.291 32.945 24.482 394 HA PRO 50 HA PRO 50 3.536 42.703 20.760 395 1HB PRO 50 1HB PRO 50 0.752 43.019 21.991 396 2HB PRO 50 2HB PRO 50 1.434 43.795 20.547 397 1HG PRO 50 1HG PRO 50 -0.229 41.662 20.267 398 2HG PRO 50 2HG PRO 50 1.228 41.762 19.251 399 1HD PRO 50 1HD PRO 50 0.809 40.058 21.766 400 2HD PRO 50 2HD PRO 50 1.602 39.634 20.216 401 H LYS 51 H LYS 51 1.892 42.086 23.907 402 HA LYS 51 HA LYS 51 3.791 43.995 25.338 403 1HB LYS 51 2HB LYS 51 1.310 43.975 25.774 404 2HB LYS 51 1HB LYS 51 1.461 42.349 26.449 405 1HG LYS 51 2HG LYS 51 3.140 43.218 28.131 406 2HG LYS 51 1HG LYS 51 3.027 44.829 27.432 407 1HD LYS 51 2HD LYS 51 0.620 45.005 28.073 408 2HD LYS 51 1HD LYS 51 0.614 43.341 28.660 409 1HE LYS 51 2HE LYS 51 2.289 43.937 30.460 410 2HE LYS 51 1HE LYS 51 2.361 45.600 29.860 411 1HZ LYS 51 3HZ LYS 51 -0.013 45.830 30.371 412 2HZ LYS 51 1HZ LYS 51 -0.084 44.279 30.934 413 3HZ LYS 51 2HZ LYS 51 0.838 45.401 31.721 414 H ARG 52 H ARG 52 5.476 43.223 26.401 415 HA ARG 52 HA ARG 52 5.927 40.190 26.771 416 1HB ARG 52 1HB ARG 52 7.735 42.367 25.577 417 2HB ARG 52 2HB ARG 52 8.426 40.964 26.357 418 1HG ARG 52 1HG ARG 52 7.584 39.407 24.810 419 2HG ARG 52 2HG ARG 52 6.298 40.435 24.232 420 1HD ARG 52 1HD ARG 52 9.275 41.132 23.709 421 2HD ARG 52 2HD ARG 52 8.391 40.002 22.719 422 HE ARG 52 HE ARG 52 6.877 41.734 21.880 423 1HH1 ARG 52 2HH1 ARG 52 9.472 43.089 23.902 424 2HH1 ARG 52 1HH1 ARG 52 9.184 44.747 23.171 425 1HH2 ARG 52 1HH2 ARG 52 6.643 43.655 21.124 426 2HH2 ARG 52 2HH2 ARG 52 7.692 45.043 21.707 427 HA PRO 53 HA PRO 53 5.691 39.033 28.593 428 1HB PRO 53 1HB PRO 53 4.851 38.668 31.209 429 2HB PRO 53 2HB PRO 53 6.496 38.359 30.652 430 1HG PRO 53 1HG PRO 53 5.441 40.840 32.089 431 2HG PRO 53 2HG PRO 53 6.910 39.902 32.458 432 1HD PRO 53 1HD PRO 53 6.975 42.235 30.947 433 2HD PRO 53 2HD PRO 53 8.118 40.896 30.641 434 H LEU 54 H LEU 54 3.519 38.437 28.421 435 HA LEU 54 HA LEU 54 1.353 40.453 28.782 436 1HB LEU 54 1HB LEU 54 -0.386 38.677 28.570 437 2HB LEU 54 2HB LEU 54 0.502 39.168 27.158 438 HG LEU 54 HG LEU 54 0.646 36.498 28.640 439 1HD1 LEU 54 2HD1 LEU 54 -1.341 36.870 27.087 440 2HD1 LEU 54 3HD1 LEU 54 -0.224 37.236 25.753 441 3HD1 LEU 54 1HD1 LEU 54 -0.265 35.620 26.447 442 1HD2 LEU 54 1HD2 LEU 54 2.453 37.454 26.345 443 2HD2 LEU 54 2HD2 LEU 54 2.947 36.767 27.910 444 3HD2 LEU 54 3HD2 LEU 54 2.170 35.733 26.712 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.865 36.851 34.796 459 HA ARG 57 HA ARG 57 -0.089 34.167 35.783 460 1HB ARG 57 1HB ARG 57 -0.205 33.078 33.577 461 2HB ARG 57 2HB ARG 57 -1.278 34.456 33.533 462 1HG ARG 57 1HG ARG 57 0.892 35.692 32.373 463 2HG ARG 57 2HG ARG 57 1.365 34.041 32.062 464 1HD ARG 57 1HD ARG 57 0.185 34.544 30.092 465 2HD ARG 57 2HD ARG 57 -1.069 33.723 31.038 466 HE ARG 57 HE ARG 57 -0.983 36.746 31.386 467 1HH1 ARG 57 2HH1 ARG 57 -2.420 34.217 29.502 468 2HH1 ARG 57 1HH1 ARG 57 -3.750 35.344 28.956 469 1HH2 ARG 57 1HH2 ARG 57 -2.539 37.863 30.963 470 2HH2 ARG 57 2HH2 ARG 57 -3.809 37.340 29.757 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.205 19.623 903 HB THR 116 HB THR 116 -7.846 27.447 19.060 904 HG1 THR 116 HG1 THR 116 -8.706 28.278 20.917 905 1HG2 THR 116 1HG2 THR 116 -10.954 27.381 19.137 906 2HG2 THR 116 2HG2 THR 116 -9.972 28.848 18.987 907 3HG2 THR 116 3HG2 THR 116 -9.942 27.641 17.698 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.494 32.004 20.463 1268 1HN2 BDM 1 1H2 BDM 1 -5.838 28.989 22.182 1269 2HN2 BDM 1 2H2 BDM 1 -6.609 30.596 21.746 1270 1HN4 BDM 1 1H4 BDM 1 -0.595 29.362 20.685 1271 2HN4 BDM 1 2H4 BDM 1 -1.790 28.070 21.210 1272 H6 BDM 1 H6 BDM 1 -3.327 33.078 20.088 1273 1H7 BDM 1 1H7 BDM 1 -0.423 31.688 19.635 1274 2H7 BDM 1 2H7 BDM 1 -0.178 31.472 21.358 1275 H9 BDM 1 H9 BDM 1 -1.805 33.840 22.681 1276 H13 BDM 1 H13 BDM 1 0.380 33.367 19.041 1277 1H14 BDM 1 1H14 BDM 1 2.481 34.651 18.789 1278 2H14 BDM 1 2H14 BDM 1 2.761 36.222 17.983 1279 3H14 BDM 1 3H14 BDM 1 2.606 36.142 19.771 1280 1H15 BDM 1 1H15 BDM 1 -3.388 35.751 23.433 1281 2H15 BDM 1 2H15 BDM 1 -2.056 35.820 24.506 1282 1H16 BDM 1 1H16 BDM 1 -2.048 38.393 24.373 1283 2H16 BDM 1 2H16 BDM 1 -3.450 38.311 23.322 1284 1H17 BDM 1 1H17 BDM 1 -3.409 37.424 26.279 1285 2H17 BDM 1 2H17 BDM 1 -4.808 37.354 25.235 1286 H18 BDM 1 H18 BDM 1 -3.764 40.079 25.029 1287 1H19 BDM 1 1H19 BDM 1 -6.285 38.685 26.021 1288 2H19 BDM 1 2H19 BDM 1 -5.979 39.259 24.409 1289 1H20 BDM 1 1H20 BDM 1 -6.169 41.178 26.830 1290 2H20 BDM 1 2H20 BDM 1 -6.122 41.625 25.134 No H/Q in entry = 1290 Start of MODEL 9 Raw file had 1315 H/Q atoms Start of MODEL 9 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.711 24.270 25.513 24 HA LEU 4 HA LEU 4 -3.623 25.183 25.243 25 1HB LEU 4 1HB LEU 4 -2.701 26.363 27.059 26 2HB LEU 4 2HB LEU 4 -1.077 26.440 26.397 27 HG LEU 4 HG LEU 4 -1.757 28.383 24.952 28 1HD1 LEU 4 1HD1 LEU 4 -4.206 28.003 24.928 29 2HD1 LEU 4 2HD1 LEU 4 -4.315 28.413 26.659 30 3HD1 LEU 4 3HD1 LEU 4 -3.827 29.647 25.471 31 1HD2 LEU 4 2HD2 LEU 4 -0.945 28.773 27.802 32 2HD2 LEU 4 3HD2 LEU 4 -0.802 29.874 26.513 33 3HD2 LEU 4 1HD2 LEU 4 -2.163 29.994 27.445 34 H TRP 5 H TRP 5 -3.946 24.960 23.001 35 HA TRP 5 HA TRP 5 -2.345 26.761 21.267 36 1HB TRP 5 1HB TRP 5 -1.252 25.399 19.839 37 2HB TRP 5 2HB TRP 5 -1.073 24.513 21.318 38 HD1 TRP 5 HD1 TRP 5 -2.331 24.189 17.788 39 HE1 TRP 5 HE1 TRP 5 -3.133 21.740 17.256 40 HE3 TRP 5 HE3 TRP 5 -2.468 22.583 22.613 41 HZ2 TRP 5 HZ2 TRP 5 -3.589 19.450 18.878 42 HZ3 TRP 5 HZ3 TRP 5 -3.025 20.223 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.558 18.666 21.224 44 H ALA 6 H ALA 6 -2.923 26.747 18.984 45 HA ALA 6 HA ALA 6 -5.867 26.280 18.398 46 1HB ALA 6 3HB ALA 6 -4.421 29.002 18.001 47 2HB ALA 6 1HB ALA 6 -6.050 28.609 17.393 48 3HB ALA 6 2HB ALA 6 -5.742 28.655 19.139 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.222 32.468 14.082 136 1HB LEU 19 1HB LEU 19 -1.135 35.239 14.527 137 2HB LEU 19 2HB LEU 19 -2.064 33.784 14.366 138 HG LEU 19 HG LEU 19 0.030 33.980 16.651 139 1HD1 LEU 19 3HD1 LEU 19 -2.796 35.190 16.567 140 2HD1 LEU 19 1HD1 LEU 19 -2.019 34.715 18.071 141 3HD1 LEU 19 2HD1 LEU 19 -1.255 35.954 17.077 142 1HD2 LEU 19 3HD2 LEU 19 -1.193 31.722 16.171 143 2HD2 LEU 19 1HD2 LEU 19 -1.620 32.413 17.762 144 3HD2 LEU 19 2HD2 LEU 19 -2.747 32.564 16.406 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.277 34.175 19.536 193 HA ASP 26 HA ASP 26 -9.693 32.136 21.675 194 1HB ASP 26 1HB ASP 26 -9.873 31.651 19.153 195 2HB ASP 26 2HB ASP 26 -8.610 32.830 18.809 196 H LEU 27 H LEU 27 -8.351 35.111 20.637 197 HA LEU 27 HA LEU 27 -5.897 34.845 22.373 198 1HB LEU 27 1HB LEU 27 -6.940 36.924 20.337 199 2HB LEU 27 2HB LEU 27 -5.593 37.308 21.369 200 HG LEU 27 HG LEU 27 -5.547 34.638 19.824 201 1HD1 LEU 27 2HD1 LEU 27 -5.965 36.352 18.021 202 2HD1 LEU 27 3HD1 LEU 27 -4.410 37.133 18.472 203 3HD1 LEU 27 1HD1 LEU 27 -4.464 35.447 17.917 204 1HD2 LEU 27 1HD2 LEU 27 -3.383 36.547 20.894 205 2HD2 LEU 27 2HD2 LEU 27 -3.862 34.991 21.594 206 3HD2 LEU 27 3HD2 LEU 27 -3.072 35.029 20.018 207 H HIS 28 H HIS 28 -9.028 36.469 22.578 208 HA HIS 28 HA HIS 28 -8.509 37.524 25.332 209 1HB HIS 28 1HB HIS 28 -11.203 36.807 24.026 210 2HB HIS 28 2HB HIS 28 -11.007 37.624 25.562 211 HD1 HIS 28 HD1 HIS 28 -8.991 40.110 25.027 212 HD2 HIS 28 HD2 HIS 28 -11.835 38.549 22.165 213 HE1 HIS 28 HE1 HIS 28 -9.555 41.842 23.397 214 HE2 HIS 28 HE2 HIS 28 -11.272 41.117 21.598 215 H TYR 29 H TYR 29 -9.647 34.302 24.125 216 HA TYR 29 HA TYR 29 -9.917 33.226 26.935 217 1HB TYR 29 1HB TYR 29 -11.408 32.498 25.041 218 2HB TYR 29 2HB TYR 29 -10.075 32.194 23.975 219 HD1 TYR 29 HD1 TYR 29 -8.648 30.144 24.176 220 HD2 TYR 29 HD2 TYR 29 -12.280 30.670 26.433 221 HE1 TYR 29 HE1 TYR 29 -8.855 27.710 24.432 222 HE2 TYR 29 HE2 TYR 29 -12.485 28.232 26.655 223 HH TYR 29 HH TYR 29 -10.061 26.033 25.240 224 H PHE 30 H PHE 30 -7.222 33.541 24.662 225 HA PHE 30 HA PHE 30 -5.396 31.727 26.157 226 1HB PHE 30 1HB PHE 30 -4.912 32.727 23.842 227 2HB PHE 30 2HB PHE 30 -4.635 34.269 24.594 228 HD1 PHE 30 HD2 PHE 30 -2.776 34.033 26.801 229 HD2 PHE 30 HD1 PHE 30 -3.010 31.484 23.350 230 HE1 PHE 30 HE2 PHE 30 -0.532 33.261 27.213 231 HE2 PHE 30 HE1 PHE 30 -0.625 30.931 23.621 232 HZ PHE 30 HZ PHE 30 0.633 31.837 25.545 233 H ARG 31 H ARG 31 -6.175 35.228 26.378 234 HA ARG 31 HA ARG 31 -4.613 36.141 28.580 235 1HB ARG 31 1HB ARG 31 -6.087 37.407 27.065 236 2HB ARG 31 2HB ARG 31 -7.528 36.702 27.789 237 1HG ARG 31 1HG ARG 31 -7.068 37.823 29.961 238 2HG ARG 31 2HG ARG 31 -5.491 38.364 29.395 239 1HD ARG 31 1HD ARG 31 -6.662 39.749 27.572 240 2HD ARG 31 2HD ARG 31 -8.226 39.265 28.247 241 HE ARG 31 HE ARG 31 -6.748 40.417 30.444 242 1HH1 ARG 31 2HH1 ARG 31 -8.000 41.543 27.312 243 2HH1 ARG 31 1HH1 ARG 31 -8.136 43.253 27.965 244 1HH2 ARG 31 1HH2 ARG 31 -6.943 42.396 31.081 245 2HH2 ARG 31 2HH2 ARG 31 -7.577 43.700 29.956 246 H ALA 32 H ALA 32 -7.599 34.211 28.763 247 HA ALA 32 HA ALA 32 -7.460 34.361 31.833 248 1HB ALA 32 2HB ALA 32 -9.472 35.526 30.467 249 2HB ALA 32 3HB ALA 32 -9.841 33.969 29.717 250 3HB ALA 32 1HB ALA 32 -10.122 34.185 31.449 251 H GLN 33 H GLN 33 -7.849 31.952 29.225 252 HA GLN 33 HA GLN 33 -8.124 29.648 31.116 253 1HB GLN 33 1HB GLN 33 -6.847 29.709 28.322 254 2HB GLN 33 2HB GLN 33 -6.973 28.272 29.306 255 1HG GLN 33 1HG GLN 33 -9.385 29.869 28.252 256 2HG GLN 33 2HG GLN 33 -8.699 28.423 27.549 257 1HE2 GLN 33 2HE2 GLN 33 -11.367 27.925 30.559 258 2HE2 GLN 33 1HE2 GLN 33 -10.911 29.569 29.883 259 H THR 34 H THR 34 -5.526 31.706 30.040 260 HA THR 34 HA THR 34 -3.898 30.744 32.390 261 HB THR 34 HB THR 34 -1.794 31.590 31.419 262 HG1 THR 34 HG1 THR 34 -1.654 31.876 29.190 263 1HG2 THR 34 2HG2 THR 34 -2.167 29.142 31.281 264 2HG2 THR 34 3HG2 THR 34 -2.905 29.338 29.661 265 3HG2 THR 34 1HG2 THR 34 -1.197 29.760 29.927 266 H VAL 35 H VAL 35 -5.804 32.309 32.985 267 HA VAL 35 HA VAL 35 -4.192 34.778 33.636 268 HB VAL 35 HB VAL 35 -5.718 35.147 35.683 269 1HG1 VAL 35 2HG1 VAL 35 -5.399 36.765 33.834 270 2HG1 VAL 35 3HG1 VAL 35 -6.790 36.060 32.980 271 3HG1 VAL 35 1HG1 VAL 35 -7.010 36.813 34.566 272 1HG2 VAL 35 2HG2 VAL 35 -7.227 33.124 35.453 273 2HG2 VAL 35 3HG2 VAL 35 -8.081 34.676 35.530 274 3HG2 VAL 35 1HG2 VAL 35 -7.904 33.847 33.974 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.615 36.259 20.169 381 HA SER 48 HA SER 48 6.513 38.483 18.475 382 1HB SER 48 1HB SER 48 5.254 36.786 17.306 383 2HB SER 48 2HB SER 48 6.921 36.258 17.475 384 HG SER 48 HG SER 48 4.732 35.486 19.116 385 H PHE 49 H PHE 49 5.652 37.506 21.654 386 HA PHE 49 HA PHE 49 2.758 38.132 21.495 387 1HB PHE 49 1HB PHE 49 4.659 38.370 23.923 388 2HB PHE 49 2HB PHE 49 2.957 38.725 24.001 389 HD1 PHE 49 HD1 PHE 49 1.284 36.731 23.105 390 HD2 PHE 49 HD2 PHE 49 5.116 36.214 25.044 391 HE1 PHE 49 HE1 PHE 49 0.798 34.399 23.553 392 HE2 PHE 49 HE2 PHE 49 4.574 33.926 25.446 393 HZ PHE 49 HZ PHE 49 2.422 32.970 24.696 394 HA PRO 50 HA PRO 50 3.515 42.670 20.743 395 1HB PRO 50 1HB PRO 50 0.747 42.965 22.013 396 2HB PRO 50 2HB PRO 50 1.397 43.734 20.550 397 1HG PRO 50 1HG PRO 50 -0.244 41.577 20.320 398 2HG PRO 50 2HG PRO 50 1.195 41.684 19.280 399 1HD PRO 50 1HD PRO 50 0.837 40.003 21.820 400 2HD PRO 50 2HD PRO 50 1.609 39.571 20.262 401 H LYS 51 H LYS 51 1.924 42.068 23.919 402 HA LYS 51 HA LYS 51 3.820 44.011 25.307 403 1HB LYS 51 2HB LYS 51 1.342 43.956 25.774 404 2HB LYS 51 1HB LYS 51 1.529 42.338 26.460 405 1HG LYS 51 2HG LYS 51 3.222 43.255 28.107 406 2HG LYS 51 1HG LYS 51 3.051 44.859 27.407 407 1HD LYS 51 2HD LYS 51 0.658 44.977 28.091 408 2HD LYS 51 1HD LYS 51 0.696 43.310 28.669 409 1HE LYS 51 2HE LYS 51 2.371 43.924 30.454 410 2HE LYS 51 1HE LYS 51 2.420 45.590 29.859 411 1HZ LYS 51 3HZ LYS 51 0.049 45.795 30.395 412 2HZ LYS 51 1HZ LYS 51 -0.001 44.241 30.952 413 3HZ LYS 51 2HZ LYS 51 0.918 45.369 31.734 414 H ARG 52 H ARG 52 5.511 43.274 26.401 415 HA ARG 52 HA ARG 52 6.017 40.250 26.771 416 1HB ARG 52 1HB ARG 52 7.778 42.440 25.534 417 2HB ARG 52 2HB ARG 52 8.499 41.056 26.320 418 1HG ARG 52 1HG ARG 52 7.650 39.468 24.803 419 2HG ARG 52 2HG ARG 52 6.353 40.481 24.222 420 1HD ARG 52 1HD ARG 52 9.319 41.198 23.670 421 2HD ARG 52 2HD ARG 52 8.444 40.041 22.702 422 HE ARG 52 HE ARG 52 6.904 41.741 21.844 423 1HH1 ARG 52 2HH1 ARG 52 9.488 43.161 23.836 424 2HH1 ARG 52 1HH1 ARG 52 9.173 44.805 23.085 425 1HH2 ARG 52 1HH2 ARG 52 6.638 43.648 21.065 426 2HH2 ARG 52 2HH2 ARG 52 7.669 45.059 21.623 427 HA PRO 53 HA PRO 53 5.764 39.127 28.604 428 1HB PRO 53 1HB PRO 53 4.940 38.779 31.227 429 2HB PRO 53 2HB PRO 53 6.573 38.449 30.658 430 1HG PRO 53 1HG PRO 53 5.566 40.949 32.094 431 2HG PRO 53 2HG PRO 53 7.031 39.999 32.446 432 1HD PRO 53 1HD PRO 53 7.096 42.328 30.926 433 2HD PRO 53 2HD PRO 53 8.224 40.978 30.612 434 H LEU 54 H LEU 54 3.625 38.577 28.394 435 HA LEU 54 HA LEU 54 1.399 40.504 28.783 436 1HB LEU 54 1HB LEU 54 -0.240 38.545 28.737 437 2HB LEU 54 2HB LEU 54 0.517 39.076 27.269 438 HG LEU 54 HG LEU 54 1.006 36.490 28.828 439 1HD1 LEU 54 3HD1 LEU 54 -0.118 37.064 25.995 440 2HD1 LEU 54 1HD1 LEU 54 0.116 35.453 26.685 441 3HD1 LEU 54 2HD1 LEU 54 -1.055 36.557 27.414 442 1HD2 LEU 54 3HD2 LEU 54 2.560 37.537 26.372 443 2HD2 LEU 54 1HD2 LEU 54 3.238 36.956 27.909 444 3HD2 LEU 54 2HD2 LEU 54 2.481 35.814 26.812 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.869 36.850 34.806 459 HA ARG 57 HA ARG 57 -0.089 34.166 35.783 460 1HB ARG 57 1HB ARG 57 -0.202 33.086 33.545 461 2HB ARG 57 2HB ARG 57 -1.312 34.426 33.524 462 1HG ARG 57 1HG ARG 57 0.911 35.692 32.390 463 2HG ARG 57 2HG ARG 57 1.285 34.045 31.988 464 1HD ARG 57 1HD ARG 57 0.141 34.697 30.055 465 2HD ARG 57 2HD ARG 57 -1.181 33.943 30.939 466 HE ARG 57 HE ARG 57 -0.928 36.874 31.551 467 1HH1 ARG 57 2HH1 ARG 57 -2.368 34.783 29.151 468 2HH1 ARG 57 1HH1 ARG 57 -3.380 36.269 28.655 469 1HH2 ARG 57 1HH2 ARG 57 -2.219 38.205 31.124 470 2HH2 ARG 57 2HH2 ARG 57 -3.167 37.985 29.528 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.211 19.625 903 HB THR 116 HB THR 116 -7.839 27.411 19.020 904 HG1 THR 116 HG1 THR 116 -7.826 27.373 21.073 905 1HG2 THR 116 3HG2 THR 116 -10.937 27.427 19.156 906 2HG2 THR 116 1HG2 THR 116 -9.914 28.865 18.967 907 3HG2 THR 116 2HG2 THR 116 -9.944 27.638 17.694 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.534 31.816 20.547 1268 1HN2 BDM 1 1H2 BDM 1 -6.579 30.391 21.761 1269 2HN2 BDM 1 2H2 BDM 1 -5.760 28.813 22.212 1270 1HN4 BDM 1 1H4 BDM 1 -0.556 29.322 20.635 1271 2HN4 BDM 1 2H4 BDM 1 -1.705 28.006 21.196 1272 H6 BDM 1 H6 BDM 1 -3.367 32.949 20.023 1273 1H7 BDM 1 1H7 BDM 1 -0.461 31.655 19.576 1274 2H7 BDM 1 2H7 BDM 1 -0.143 31.383 21.278 1275 H9 BDM 1 H9 BDM 1 -1.509 33.708 22.847 1276 H13 BDM 1 H13 BDM 1 0.222 33.314 18.955 1277 1H14 BDM 1 1H14 BDM 1 2.445 34.604 18.840 1278 2H14 BDM 1 2H14 BDM 1 2.729 36.176 18.035 1279 3H14 BDM 1 3H14 BDM 1 2.527 36.099 19.816 1280 1H15 BDM 1 1H15 BDM 1 -3.128 35.896 23.591 1281 2H15 BDM 1 2H15 BDM 1 -1.831 35.768 24.731 1282 1H16 BDM 1 1H16 BDM 1 -1.462 38.215 24.794 1283 2H16 BDM 1 2H16 BDM 1 -2.444 38.489 23.383 1284 1H17 BDM 1 1H17 BDM 1 -3.935 37.318 25.738 1285 2H17 BDM 1 2H17 BDM 1 -4.463 38.398 24.477 1286 H18 BDM 1 H18 BDM 1 -2.663 40.142 25.661 1287 1H19 BDM 1 1H19 BDM 1 -5.439 39.215 26.163 1288 2H19 BDM 1 2H19 BDM 1 -4.896 40.753 26.922 1289 1H20 BDM 1 1H20 BDM 1 -4.743 41.701 24.577 1290 2H20 BDM 1 2H20 BDM 1 -5.248 40.154 23.914 No H/Q in entry = 1290 Start of MODEL 10 Raw file had 1315 H/Q atoms Start of MODEL 10 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.710 24.267 25.503 24 HA LEU 4 HA LEU 4 -3.622 25.166 25.203 25 1HB LEU 4 1HB LEU 4 -2.703 26.370 27.027 26 2HB LEU 4 2HB LEU 4 -1.086 26.453 26.362 27 HG LEU 4 HG LEU 4 -1.815 28.337 24.847 28 1HD1 LEU 4 2HD1 LEU 4 -4.268 27.896 24.887 29 2HD1 LEU 4 3HD1 LEU 4 -4.344 28.403 26.594 30 3HD1 LEU 4 1HD1 LEU 4 -3.898 29.571 25.326 31 1HD2 LEU 4 3HD2 LEU 4 -1.020 28.816 27.687 32 2HD2 LEU 4 1HD2 LEU 4 -0.807 29.851 26.360 33 3HD2 LEU 4 2HD2 LEU 4 -2.193 30.062 27.191 34 H TRP 5 H TRP 5 -3.968 25.047 22.965 35 HA TRP 5 HA TRP 5 -2.336 26.843 21.262 36 1HB TRP 5 1HB TRP 5 -1.272 25.470 19.789 37 2HB TRP 5 2HB TRP 5 -1.057 24.595 21.267 38 HD1 TRP 5 HD1 TRP 5 -2.345 24.234 17.767 39 HE1 TRP 5 HE1 TRP 5 -3.134 21.778 17.251 40 HE3 TRP 5 HE3 TRP 5 -2.462 22.648 22.605 41 HZ2 TRP 5 HZ2 TRP 5 -3.589 19.496 18.887 42 HZ3 TRP 5 HZ3 TRP 5 -3.031 20.292 23.074 43 HH2 TRP 5 HH2 TRP 5 -3.560 18.726 21.236 44 H ALA 6 H ALA 6 -2.931 26.832 18.967 45 HA ALA 6 HA ALA 6 -5.873 26.318 18.389 46 1HB ALA 6 3HB ALA 6 -4.451 29.046 17.945 47 2HB ALA 6 1HB ALA 6 -6.082 28.630 17.357 48 3HB ALA 6 2HB ALA 6 -5.759 28.709 19.099 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.231 32.467 14.073 136 1HB LEU 19 1HB LEU 19 -1.165 35.210 14.535 137 2HB LEU 19 2HB LEU 19 -2.069 33.734 14.368 138 HG LEU 19 HG LEU 19 0.043 33.997 16.619 139 1HD1 LEU 19 3HD1 LEU 19 -2.856 35.051 16.588 140 2HD1 LEU 19 1HD1 LEU 19 -2.014 34.624 18.072 141 3HD1 LEU 19 2HD1 LEU 19 -1.338 35.889 17.046 142 1HD2 LEU 19 2HD2 LEU 19 -0.937 31.664 16.141 143 2HD2 LEU 19 3HD2 LEU 19 -1.443 32.283 17.730 144 3HD2 LEU 19 1HD2 LEU 19 -2.578 32.321 16.368 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.315 34.183 19.517 193 HA ASP 26 HA ASP 26 -9.785 32.050 21.549 194 1HB ASP 26 1HB ASP 26 -9.948 31.701 19.029 195 2HB ASP 26 2HB ASP 26 -8.574 32.772 18.779 196 H LEU 27 H LEU 27 -8.320 35.058 20.721 197 HA LEU 27 HA LEU 27 -6.050 34.587 22.666 198 1HB LEU 27 1HB LEU 27 -6.723 36.913 20.765 199 2HB LEU 27 2HB LEU 27 -5.562 37.049 22.060 200 HG LEU 27 HG LEU 27 -4.449 34.843 21.114 201 1HD1 LEU 27 1HD1 LEU 27 -5.869 35.721 18.504 202 2HD1 LEU 27 2HD1 LEU 27 -4.511 34.585 18.616 203 3HD1 LEU 27 3HD1 LEU 27 -6.060 34.147 19.324 204 1HD2 LEU 27 2HD2 LEU 27 -3.469 37.074 21.200 205 2HD2 LEU 27 3HD2 LEU 27 -2.970 36.154 19.769 206 3HD2 LEU 27 1HD2 LEU 27 -4.151 37.497 19.627 207 H HIS 28 H HIS 28 -9.231 36.105 22.774 208 HA HIS 28 HA HIS 28 -8.940 37.042 25.591 209 1HB HIS 28 1HB HIS 28 -11.473 35.865 24.272 210 2HB HIS 28 2HB HIS 28 -11.416 36.759 25.774 211 HD1 HIS 28 HD1 HIS 28 -9.569 39.342 24.692 212 HD2 HIS 28 HD2 HIS 28 -12.967 37.490 22.802 213 HE1 HIS 28 HE1 HIS 28 -10.523 40.893 23.008 214 HE2 HIS 28 HE2 HIS 28 -12.627 39.954 21.780 215 H TYR 29 H TYR 29 -9.777 33.798 24.190 216 HA TYR 29 HA TYR 29 -9.748 32.491 26.908 217 1HB TYR 29 1HB TYR 29 -11.285 31.706 25.082 218 2HB TYR 29 2HB TYR 29 -10.023 31.643 23.895 219 HD1 TYR 29 HD1 TYR 29 -8.278 29.786 23.921 220 HD2 TYR 29 HD2 TYR 29 -11.877 29.660 26.285 221 HE1 TYR 29 HE1 TYR 29 -8.143 27.336 24.011 222 HE2 TYR 29 HE2 TYR 29 -11.741 27.208 26.342 223 HH TYR 29 HH TYR 29 -10.614 25.402 25.702 224 H PHE 30 H PHE 30 -7.242 33.179 24.466 225 HA PHE 30 HA PHE 30 -5.190 31.400 25.631 226 1HB PHE 30 1HB PHE 30 -4.786 32.680 23.471 227 2HB PHE 30 2HB PHE 30 -4.685 34.171 24.372 228 HD1 PHE 30 HD2 PHE 30 -2.735 34.434 26.170 229 HD2 PHE 30 HD1 PHE 30 -2.936 31.129 23.453 230 HE1 PHE 30 HE2 PHE 30 -0.438 33.770 26.764 231 HE2 PHE 30 HE1 PHE 30 -0.555 30.670 23.827 232 HZ PHE 30 HZ PHE 30 0.681 31.954 25.540 233 H ARG 31 H ARG 31 -6.098 34.819 26.279 234 HA ARG 31 HA ARG 31 -4.314 35.397 28.437 235 1HB ARG 31 1HB ARG 31 -5.788 36.971 27.187 236 2HB ARG 31 2HB ARG 31 -7.198 36.382 28.070 237 1HG ARG 31 1HG ARG 31 -6.206 37.132 30.238 238 2HG ARG 31 2HG ARG 31 -4.689 37.533 29.440 239 1HD ARG 31 1HD ARG 31 -5.935 39.302 28.056 240 2HD ARG 31 2HD ARG 31 -7.405 38.951 28.976 241 HE ARG 31 HE ARG 31 -5.538 39.533 31.020 242 1HH1 ARG 31 2HH1 ARG 31 -6.561 41.321 28.121 243 2HH1 ARG 31 1HH1 ARG 31 -6.165 42.911 28.947 244 1HH2 ARG 31 1HH2 ARG 31 -5.123 41.398 31.859 245 2HH2 ARG 31 2HH2 ARG 31 -5.406 42.949 30.920 246 H ALA 32 H ALA 32 -7.581 33.923 28.655 247 HA ALA 32 HA ALA 32 -7.255 33.862 31.681 248 1HB ALA 32 2HB ALA 32 -9.371 34.919 30.393 249 2HB ALA 32 3HB ALA 32 -9.682 33.348 29.645 250 3HB ALA 32 1HB ALA 32 -9.920 33.540 31.386 251 H GLN 33 H GLN 33 -7.620 31.445 29.076 252 HA GLN 33 HA GLN 33 -7.650 29.107 30.956 253 1HB GLN 33 1HB GLN 33 -6.504 29.305 28.108 254 2HB GLN 33 2HB GLN 33 -6.526 27.839 29.046 255 1HG GLN 33 1HG GLN 33 -9.070 29.332 28.169 256 2HG GLN 33 2HG GLN 33 -8.317 27.992 27.339 257 1HE2 GLN 33 2HE2 GLN 33 -10.757 27.102 30.465 258 2HE2 GLN 33 1HE2 GLN 33 -10.422 28.824 29.926 259 H THR 34 H THR 34 -5.399 31.585 30.423 260 HA THR 34 HA THR 34 -3.374 30.057 32.109 261 HB THR 34 HB THR 34 -1.570 31.666 31.248 262 HG1 THR 34 HG1 THR 34 -1.957 32.554 29.237 263 1HG2 THR 34 3HG2 THR 34 -2.761 29.627 29.326 264 2HG2 THR 34 1HG2 THR 34 -1.218 30.499 29.131 265 3HG2 THR 34 2HG2 THR 34 -1.445 29.404 30.517 266 H VAL 35 H VAL 35 -5.614 32.731 32.343 267 HA VAL 35 HA VAL 35 -3.963 34.612 33.508 268 HB VAL 35 HB VAL 35 -5.680 35.563 35.071 269 1HG1 VAL 35 2HG1 VAL 35 -5.022 36.544 32.870 270 2HG1 VAL 35 3HG1 VAL 35 -6.463 35.787 32.154 271 3HG1 VAL 35 1HG1 VAL 35 -6.639 36.952 33.462 272 1HG2 VAL 35 1HG2 VAL 35 -7.622 33.604 33.747 273 2HG2 VAL 35 2HG2 VAL 35 -7.376 33.944 35.462 274 3HG2 VAL 35 3HG2 VAL 35 -8.125 35.165 34.435 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.635 36.256 20.153 381 HA SER 48 HA SER 48 6.557 38.459 18.429 382 1HB SER 48 1HB SER 48 5.281 36.760 17.285 383 2HB SER 48 2HB SER 48 6.937 36.206 17.480 384 HG SER 48 HG SER 48 4.718 35.507 19.113 385 H PHE 49 H PHE 49 5.650 37.499 21.612 386 HA PHE 49 HA PHE 49 2.785 38.202 21.418 387 1HB PHE 49 1HB PHE 49 4.674 38.387 23.874 388 2HB PHE 49 2HB PHE 49 2.984 38.800 23.946 389 HD1 PHE 49 HD1 PHE 49 1.253 36.897 23.042 390 HD2 PHE 49 HD2 PHE 49 5.065 36.182 24.960 391 HE1 PHE 49 HE1 PHE 49 0.684 34.574 23.390 392 HE2 PHE 49 HE2 PHE 49 4.473 33.890 25.254 393 HZ PHE 49 HZ PHE 49 2.307 33.020 24.451 394 HA PRO 50 HA PRO 50 3.658 42.751 20.778 395 1HB PRO 50 1HB PRO 50 0.892 43.089 22.040 396 2HB PRO 50 2HB PRO 50 1.568 43.868 20.595 397 1HG PRO 50 1HG PRO 50 -0.131 41.760 20.321 398 2HG PRO 50 2HG PRO 50 1.312 41.851 19.284 399 1HD PRO 50 1HD PRO 50 0.909 40.126 21.788 400 2HD PRO 50 2HD PRO 50 1.673 39.709 20.221 401 H LYS 51 H LYS 51 2.024 42.113 23.929 402 HA LYS 51 HA LYS 51 3.933 43.999 25.371 403 1HB LYS 51 2HB LYS 51 1.454 43.979 25.806 404 2HB LYS 51 1HB LYS 51 1.599 42.346 26.465 405 1HG LYS 51 2HG LYS 51 3.274 43.192 28.159 406 2HG LYS 51 1HG LYS 51 3.167 44.812 27.480 407 1HD LYS 51 2HD LYS 51 0.766 44.994 28.121 408 2HD LYS 51 1HD LYS 51 0.742 43.320 28.677 409 1HE LYS 51 2HE LYS 51 2.402 43.859 30.500 410 2HE LYS 51 1HE LYS 51 2.518 45.528 29.926 411 1HZ LYS 51 1HZ LYS 51 0.032 44.251 30.959 412 2HZ LYS 51 2HZ LYS 51 0.975 45.337 31.771 413 3HZ LYS 51 3HZ LYS 51 0.147 45.810 30.422 414 H ARG 52 H ARG 52 5.593 43.234 26.485 415 HA ARG 52 HA ARG 52 6.070 40.202 26.828 416 1HB ARG 52 1HB ARG 52 7.865 42.376 25.606 417 2HB ARG 52 2HB ARG 52 8.551 40.947 26.344 418 1HG ARG 52 1HG ARG 52 7.618 39.431 24.792 419 2HG ARG 52 2HG ARG 52 6.368 40.519 24.244 420 1HD ARG 52 1HD ARG 52 9.363 41.108 23.703 421 2HD ARG 52 2HD ARG 52 8.427 40.031 22.701 422 HE ARG 52 HE ARG 52 6.973 41.837 21.911 423 1HH1 ARG 52 2HH1 ARG 52 9.637 43.052 23.932 424 2HH1 ARG 52 1HH1 ARG 52 9.404 44.735 23.239 425 1HH2 ARG 52 1HH2 ARG 52 6.802 43.781 21.198 426 2HH2 ARG 52 2HH2 ARG 52 7.908 45.117 21.798 427 HA PRO 53 HA PRO 53 5.812 39.087 28.671 428 1HB PRO 53 1HB PRO 53 4.997 38.760 31.300 429 2HB PRO 53 2HB PRO 53 6.624 38.406 30.725 430 1HG PRO 53 1HG PRO 53 5.657 40.927 32.153 431 2HG PRO 53 2HG PRO 53 7.110 39.960 32.503 432 1HD PRO 53 1HD PRO 53 7.200 42.279 30.973 433 2HD PRO 53 2HD PRO 53 8.309 40.913 30.660 434 H LEU 54 H LEU 54 3.659 38.601 28.414 435 HA LEU 54 HA LEU 54 1.516 40.614 28.863 436 1HB LEU 54 1HB LEU 54 -0.230 38.849 28.581 437 2HB LEU 54 2HB LEU 54 0.680 39.361 27.192 438 HG LEU 54 HG LEU 54 0.753 36.660 28.629 439 1HD1 LEU 54 2HD1 LEU 54 -0.037 37.528 25.759 440 2HD1 LEU 54 3HD1 LEU 54 -0.068 35.870 26.346 441 3HD1 LEU 54 1HD1 LEU 54 -1.167 37.065 27.052 442 1HD2 LEU 54 1HD2 LEU 54 2.639 37.591 26.377 443 2HD2 LEU 54 2HD2 LEU 54 3.091 36.922 27.962 444 3HD2 LEU 54 3HD2 LEU 54 2.327 35.879 26.766 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.802 459 HA ARG 57 HA ARG 57 -0.083 34.169 35.788 460 1HB ARG 57 1HB ARG 57 -0.162 33.087 33.537 461 2HB ARG 57 2HB ARG 57 -1.338 34.368 33.596 462 1HG ARG 57 1HG ARG 57 0.757 35.774 32.383 463 2HG ARG 57 2HG ARG 57 1.199 34.158 31.934 464 1HD ARG 57 1HD ARG 57 -0.135 34.523 30.098 465 2HD ARG 57 2HD ARG 57 -1.468 34.053 31.169 466 HE ARG 57 HE ARG 57 -0.963 36.970 31.400 467 1HH1 ARG 57 2HH1 ARG 57 -2.264 34.837 29.017 468 2HH1 ARG 57 1HH1 ARG 57 -3.133 36.354 28.343 469 1HH2 ARG 57 1HH2 ARG 57 -2.217 38.293 30.897 470 2HH2 ARG 57 2HH2 ARG 57 -3.090 38.111 29.288 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.203 19.623 903 HB THR 116 HB THR 116 -7.854 27.464 19.059 904 HG1 THR 116 HG1 THR 116 -8.708 28.282 20.914 905 1HG2 THR 116 1HG2 THR 116 -10.963 27.358 19.134 906 2HG2 THR 116 2HG2 THR 116 -10.002 28.837 18.986 907 3HG2 THR 116 3HG2 THR 116 -9.952 27.632 17.696 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.517 32.100 20.399 1268 1HN2 BDM 1 1H2 BDM 1 -5.883 29.062 22.087 1269 2HN2 BDM 1 2H2 BDM 1 -6.649 30.678 21.677 1270 1HN4 BDM 1 1H4 BDM 1 -0.610 29.454 20.745 1271 2HN4 BDM 1 2H4 BDM 1 -1.830 28.156 21.200 1272 H6 BDM 1 H6 BDM 1 -3.335 33.177 20.087 1273 1H7 BDM 1 1H7 BDM 1 -0.300 31.655 21.587 1274 2H7 BDM 1 2H7 BDM 1 -0.349 31.722 19.839 1275 H9 BDM 1 H9 BDM 1 -1.763 34.192 22.663 1276 H13 BDM 1 H13 BDM 1 0.277 33.272 19.009 1277 1H14 BDM 1 1H14 BDM 1 2.548 34.633 18.910 1278 2H14 BDM 1 2H14 BDM 1 2.812 36.018 17.805 1279 3H14 BDM 1 3H14 BDM 1 2.520 36.302 19.554 1280 1H15 BDM 1 1H15 BDM 1 -3.109 36.250 23.249 1281 2H15 BDM 1 2H15 BDM 1 -1.717 36.211 24.221 1282 1H16 BDM 1 1H16 BDM 1 -1.693 38.561 24.668 1283 2H16 BDM 1 2H16 BDM 1 -2.513 38.967 23.178 1284 1H17 BDM 1 1H17 BDM 1 -4.217 37.335 25.081 1285 2H17 BDM 1 2H17 BDM 1 -4.644 38.635 23.997 1286 H18 BDM 1 H18 BDM 1 -3.356 40.233 25.661 1287 1H19 BDM 1 1H19 BDM 1 -5.950 38.769 26.395 1288 2H19 BDM 1 2H19 BDM 1 -5.575 40.461 26.756 1289 1H20 BDM 1 1H20 BDM 1 -5.520 40.995 24.291 1290 2H20 BDM 1 2H20 BDM 1 -5.690 39.294 23.887 No H/Q in entry = 1290 Start of MODEL 11 Raw file had 1315 H/Q atoms Start of MODEL 11 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.713 24.272 25.518 24 HA LEU 4 HA LEU 4 -3.626 25.173 25.227 25 1HB LEU 4 1HB LEU 4 -2.695 26.371 27.041 26 2HB LEU 4 2HB LEU 4 -1.082 26.460 26.366 27 HG LEU 4 HG LEU 4 -1.832 28.366 24.873 28 1HD1 LEU 4 2HD1 LEU 4 -4.279 27.940 24.944 29 2HD1 LEU 4 3HD1 LEU 4 -4.331 28.390 26.668 30 3HD1 LEU 4 1HD1 LEU 4 -3.909 29.602 25.435 31 1HD2 LEU 4 3HD2 LEU 4 -0.972 28.791 27.702 32 2HD2 LEU 4 1HD2 LEU 4 -0.815 29.863 26.395 33 3HD2 LEU 4 2HD2 LEU 4 -2.167 30.034 27.313 34 H TRP 5 H TRP 5 -3.953 24.963 22.988 35 HA TRP 5 HA TRP 5 -2.347 26.760 21.263 36 1HB TRP 5 1HB TRP 5 -1.260 25.403 19.818 37 2HB TRP 5 2HB TRP 5 -1.066 24.519 21.296 38 HD1 TRP 5 HD1 TRP 5 -2.337 24.183 17.777 39 HE1 TRP 5 HE1 TRP 5 -3.139 21.733 17.253 40 HE3 TRP 5 HE3 TRP 5 -2.461 22.586 22.607 41 HZ2 TRP 5 HZ2 TRP 5 -3.592 19.447 18.880 42 HZ3 TRP 5 HZ3 TRP 5 -3.021 20.229 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.558 18.668 21.228 44 H ALA 6 H ALA 6 -2.925 26.755 18.980 45 HA ALA 6 HA ALA 6 -5.870 26.284 18.394 46 1HB ALA 6 3HB ALA 6 -4.423 29.005 17.994 47 2HB ALA 6 1HB ALA 6 -6.051 28.610 17.382 48 3HB ALA 6 2HB ALA 6 -5.748 28.660 19.128 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.221 32.468 14.084 136 1HB LEU 19 1HB LEU 19 -1.137 35.241 14.520 137 2HB LEU 19 2HB LEU 19 -2.063 33.784 14.371 138 HG LEU 19 HG LEU 19 0.038 33.991 16.647 139 1HD1 LEU 19 2HD1 LEU 19 -2.782 35.213 16.576 140 2HD1 LEU 19 3HD1 LEU 19 -1.987 34.754 18.077 141 3HD1 LEU 19 1HD1 LEU 19 -1.233 35.980 17.058 142 1HD2 LEU 19 1HD2 LEU 19 -1.209 31.739 16.192 143 2HD2 LEU 19 2HD2 LEU 19 -1.622 32.447 17.779 144 3HD2 LEU 19 3HD2 LEU 19 -2.754 32.598 16.428 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.302 34.163 19.526 193 HA ASP 26 HA ASP 26 -9.713 32.135 21.669 194 1HB ASP 26 1HB ASP 26 -9.943 31.587 19.190 195 2HB ASP 26 2HB ASP 26 -8.604 32.662 18.814 196 H LEU 27 H LEU 27 -8.368 35.088 20.629 197 HA LEU 27 HA LEU 27 -5.900 34.800 22.345 198 1HB LEU 27 1HB LEU 27 -6.963 36.909 20.349 199 2HB LEU 27 2HB LEU 27 -5.618 37.287 21.384 200 HG LEU 27 HG LEU 27 -5.552 34.642 19.797 201 1HD1 LEU 27 1HD1 LEU 27 -5.983 36.370 18.014 202 2HD1 LEU 27 2HD1 LEU 27 -4.443 37.171 18.483 203 3HD1 LEU 27 3HD1 LEU 27 -4.465 35.492 17.904 204 1HD2 LEU 27 2HD2 LEU 27 -3.404 36.558 20.891 205 2HD2 LEU 27 3HD2 LEU 27 -3.872 34.992 21.574 206 3HD2 LEU 27 1HD2 LEU 27 -3.081 35.051 20.000 207 H HIS 28 H HIS 28 -9.023 36.486 22.575 208 HA HIS 28 HA HIS 28 -8.569 37.452 25.346 209 1HB HIS 28 1HB HIS 28 -11.225 36.472 24.101 210 2HB HIS 28 2HB HIS 28 -11.065 37.421 25.563 211 HD1 HIS 28 HD1 HIS 28 -8.945 39.724 24.301 212 HD2 HIS 28 HD2 HIS 28 -12.516 38.124 22.509 213 HE1 HIS 28 HE1 HIS 28 -9.783 41.279 22.565 214 HE2 HIS 28 HE2 HIS 28 -11.991 40.520 21.428 215 H TYR 29 H TYR 29 -9.664 34.207 24.098 216 HA TYR 29 HA TYR 29 -9.934 33.113 26.901 217 1HB TYR 29 1HB TYR 29 -11.489 32.364 25.098 218 2HB TYR 29 2HB TYR 29 -10.220 32.105 23.946 219 HD1 TYR 29 HD1 TYR 29 -8.702 30.093 24.055 220 HD2 TYR 29 HD2 TYR 29 -12.246 30.465 26.482 221 HE1 TYR 29 HE1 TYR 29 -8.774 27.655 24.347 222 HE2 TYR 29 HE2 TYR 29 -12.319 28.022 26.732 223 HH TYR 29 HH TYR 29 -9.855 25.931 25.225 224 H PHE 30 H PHE 30 -7.275 33.234 24.506 225 HA PHE 30 HA PHE 30 -5.477 31.391 25.970 226 1HB PHE 30 1HB PHE 30 -4.905 32.363 23.716 227 2HB PHE 30 2HB PHE 30 -4.723 33.938 24.422 228 HD1 PHE 30 HD2 PHE 30 -2.856 33.873 26.674 229 HD2 PHE 30 HD1 PHE 30 -2.932 31.236 23.291 230 HE1 PHE 30 HE2 PHE 30 -0.542 33.302 27.063 231 HE2 PHE 30 HE1 PHE 30 -0.508 30.874 23.537 232 HZ PHE 30 HZ PHE 30 0.694 31.911 25.432 233 H ARG 31 H ARG 31 -6.121 34.931 26.256 234 HA ARG 31 HA ARG 31 -4.386 35.643 28.407 235 1HB ARG 31 1HB ARG 31 -5.713 37.183 27.054 236 2HB ARG 31 2HB ARG 31 -7.222 36.600 27.749 237 1HG ARG 31 1HG ARG 31 -6.621 37.470 29.985 238 2HG ARG 31 2HG ARG 31 -4.989 37.868 29.458 239 1HD ARG 31 1HD ARG 31 -5.869 39.635 27.889 240 2HD ARG 31 2HD ARG 31 -7.520 39.163 28.253 241 HE ARG 31 HE ARG 31 -7.471 40.317 30.350 242 1HH1 ARG 31 2HH1 ARG 31 -4.188 40.311 28.987 243 2HH1 ARG 31 1HH1 ARG 31 -3.669 41.576 30.211 244 1HH2 ARG 31 1HH2 ARG 31 -6.771 41.748 31.687 245 2HH2 ARG 31 2HH2 ARG 31 -5.033 42.332 31.634 246 H ALA 32 H ALA 32 -7.692 34.334 28.681 247 HA ALA 32 HA ALA 32 -7.377 34.329 31.722 248 1HB ALA 32 2HB ALA 32 -9.417 35.517 30.391 249 2HB ALA 32 3HB ALA 32 -9.828 33.957 29.671 250 3HB ALA 32 1HB ALA 32 -10.067 34.199 31.404 251 H GLN 33 H GLN 33 -7.696 31.901 29.184 252 HA GLN 33 HA GLN 33 -8.164 29.600 31.020 253 1HB GLN 33 1HB GLN 33 -6.612 29.771 28.371 254 2HB GLN 33 2HB GLN 33 -6.650 28.311 29.324 255 1HG GLN 33 1HG GLN 33 -9.197 29.654 28.222 256 2HG GLN 33 2HG GLN 33 -8.282 28.404 27.410 257 1HE2 GLN 33 2HE2 GLN 33 -10.898 27.227 30.292 258 2HE2 GLN 33 1HE2 GLN 33 -10.650 28.987 29.833 259 H THR 34 H THR 34 -5.249 31.415 29.971 260 HA THR 34 HA THR 34 -3.675 30.192 32.268 261 HB THR 34 HB THR 34 -1.668 31.371 31.277 262 HG1 THR 34 HG1 THR 34 -1.853 32.033 29.154 263 1HG2 THR 34 2HG2 THR 34 -2.129 28.973 30.872 264 2HG2 THR 34 3HG2 THR 34 -2.989 29.399 29.365 265 3HG2 THR 34 1HG2 THR 34 -1.254 29.791 29.573 266 H VAL 35 H VAL 35 -5.770 32.809 32.464 267 HA VAL 35 HA VAL 35 -4.023 34.737 33.570 268 HB VAL 35 HB VAL 35 -5.669 35.577 35.283 269 1HG1 VAL 35 2HG1 VAL 35 -5.023 36.785 33.235 270 2HG1 VAL 35 3HG1 VAL 35 -6.417 36.090 32.384 271 3HG1 VAL 35 1HG1 VAL 35 -6.666 37.113 33.799 272 1HG2 VAL 35 1HG2 VAL 35 -7.729 33.905 33.762 273 2HG2 VAL 35 2HG2 VAL 35 -7.368 33.871 35.492 274 3HG2 VAL 35 3HG2 VAL 35 -8.101 35.309 34.780 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.600 36.262 20.181 381 HA SER 48 HA SER 48 6.517 38.480 18.471 382 1HB SER 48 1HB SER 48 5.243 36.787 17.315 383 2HB SER 48 2HB SER 48 6.904 36.244 17.492 384 HG SER 48 HG SER 48 4.705 35.507 19.134 385 H PHE 49 H PHE 49 5.610 37.487 21.653 386 HA PHE 49 HA PHE 49 2.725 38.134 21.462 387 1HB PHE 49 1HB PHE 49 4.571 38.367 23.928 388 2HB PHE 49 2HB PHE 49 2.857 38.673 23.966 389 HD1 PHE 49 HD1 PHE 49 1.256 36.621 23.021 390 HD2 PHE 49 HD2 PHE 49 5.091 36.213 25.001 391 HE1 PHE 49 HE1 PHE 49 0.871 34.251 23.417 392 HE2 PHE 49 HE2 PHE 49 4.623 33.907 25.362 393 HZ PHE 49 HZ PHE 49 2.515 32.885 24.559 394 HA PRO 50 HA PRO 50 3.467 42.676 20.771 395 1HB PRO 50 1HB PRO 50 0.700 42.953 22.049 396 2HB PRO 50 2HB PRO 50 1.347 43.741 20.596 397 1HG PRO 50 1HG PRO 50 -0.289 41.584 20.338 398 2HG PRO 50 2HG PRO 50 1.150 41.706 19.300 399 1HD PRO 50 1HD PRO 50 0.794 39.994 21.818 400 2HD PRO 50 2HD PRO 50 1.569 39.583 20.256 401 H LYS 51 H LYS 51 1.882 42.048 23.947 402 HA LYS 51 HA LYS 51 3.781 43.985 25.339 403 1HB LYS 51 2HB LYS 51 1.310 43.954 25.805 404 2HB LYS 51 1HB LYS 51 1.473 42.330 26.483 405 1HG LYS 51 2HG LYS 51 3.156 43.203 28.151 406 2HG LYS 51 1HG LYS 51 3.046 44.813 27.448 407 1HD LYS 51 2HD LYS 51 0.650 45.009 28.104 408 2HD LYS 51 1HD LYS 51 0.628 43.343 28.685 409 1HE LYS 51 2HE LYS 51 2.314 43.914 30.483 410 2HE LYS 51 1HE LYS 51 2.403 45.579 29.888 411 1HZ LYS 51 3HZ LYS 51 0.033 45.834 30.407 412 2HZ LYS 51 1HZ LYS 51 -0.054 44.282 30.965 413 3HZ LYS 51 2HZ LYS 51 0.883 45.391 31.752 414 H ARG 52 H ARG 52 5.457 43.249 26.449 415 HA ARG 52 HA ARG 52 5.962 40.227 26.826 416 1HB ARG 52 1HB ARG 52 7.724 42.402 25.563 417 2HB ARG 52 2HB ARG 52 8.443 41.016 26.350 418 1HG ARG 52 1HG ARG 52 7.562 39.427 24.847 419 2HG ARG 52 2HG ARG 52 6.279 40.455 24.264 420 1HD ARG 52 1HD ARG 52 9.255 41.117 23.700 421 2HD ARG 52 2HD ARG 52 8.350 39.979 22.738 422 HE ARG 52 HE ARG 52 6.845 41.710 21.886 423 1HH1 ARG 52 2HH1 ARG 52 9.467 43.077 23.865 424 2HH1 ARG 52 1HH1 ARG 52 9.179 44.728 23.118 425 1HH2 ARG 52 1HH2 ARG 52 6.611 43.623 21.111 426 2HH2 ARG 52 2HH2 ARG 52 7.672 45.013 21.666 427 HA PRO 53 HA PRO 53 5.752 39.108 28.667 428 1HB PRO 53 1HB PRO 53 4.945 38.769 31.295 429 2HB PRO 53 2HB PRO 53 6.579 38.452 30.717 430 1HG PRO 53 1HG PRO 53 5.556 40.953 32.143 431 2HG PRO 53 2HG PRO 53 7.031 40.018 32.493 432 1HD PRO 53 1HD PRO 53 7.069 42.335 30.958 433 2HD PRO 53 2HD PRO 53 8.205 40.992 30.644 434 H LEU 54 H LEU 54 3.629 38.553 28.426 435 HA LEU 54 HA LEU 54 1.391 40.475 28.779 436 1HB LEU 54 1HB LEU 54 -0.238 38.545 28.603 437 2HB LEU 54 2HB LEU 54 0.611 39.074 27.182 438 HG LEU 54 HG LEU 54 1.002 36.468 28.741 439 1HD1 LEU 54 3HD1 LEU 54 -1.029 36.641 27.195 440 2HD1 LEU 54 1HD1 LEU 54 0.066 36.967 25.836 441 3HD1 LEU 54 2HD1 LEU 54 0.133 35.413 26.666 442 1HD2 LEU 54 1HD2 LEU 54 2.645 37.521 26.352 443 2HD2 LEU 54 2HD2 LEU 54 3.263 36.936 27.910 444 3HD2 LEU 54 3HD2 LEU 54 2.545 35.796 26.785 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.801 459 HA ARG 57 HA ARG 57 -0.083 34.172 35.790 460 1HB ARG 57 1HB ARG 57 -0.224 33.071 33.588 461 2HB ARG 57 2HB ARG 57 -1.313 34.430 33.561 462 1HG ARG 57 1HG ARG 57 0.881 35.650 32.357 463 2HG ARG 57 2HG ARG 57 1.253 33.990 31.994 464 1HD ARG 57 1HD ARG 57 0.020 34.489 30.083 465 2HD ARG 57 2HD ARG 57 -1.310 33.882 31.088 466 HE ARG 57 HE ARG 57 -0.890 36.829 31.442 467 1HH1 ARG 57 2HH1 ARG 57 -2.197 34.715 29.046 468 2HH1 ARG 57 1HH1 ARG 57 -3.086 36.235 28.414 469 1HH2 ARG 57 1HH2 ARG 57 -2.209 38.142 30.986 470 2HH2 ARG 57 2HH2 ARG 57 -3.075 37.949 29.371 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.209 19.624 903 HB THR 116 HB THR 116 -7.835 27.418 19.045 904 HG1 THR 116 HG1 THR 116 -8.677 28.279 20.907 905 1HG2 THR 116 1HG2 THR 116 -10.939 27.419 19.144 906 2HG2 THR 116 2HG2 THR 116 -9.923 28.863 18.974 907 3HG2 THR 116 3HG2 THR 116 -9.933 27.645 17.695 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.494 31.857 20.522 1268 1HN2 BDM 1 1H2 BDM 1 -6.548 30.425 21.735 1269 2HN2 BDM 1 2H2 BDM 1 -5.739 28.837 22.176 1270 1HN4 BDM 1 1H4 BDM 1 -1.695 27.993 21.163 1271 2HN4 BDM 1 2H4 BDM 1 -0.533 29.293 20.588 1272 H6 BDM 1 H6 BDM 1 -3.331 32.969 20.012 1273 1H7 BDM 1 1H7 BDM 1 -0.092 31.338 21.139 1274 2H7 BDM 1 2H7 BDM 1 -0.460 31.646 19.452 1275 H9 BDM 1 H9 BDM 1 -1.552 33.579 22.737 1276 H13 BDM 1 H13 BDM 1 0.326 33.363 18.915 1277 1H14 BDM 1 1H14 BDM 1 2.583 36.059 19.816 1278 2H14 BDM 1 2H14 BDM 1 2.452 34.657 18.715 1279 3H14 BDM 1 3H14 BDM 1 2.735 36.290 18.043 1280 1H15 BDM 1 1H15 BDM 1 -2.995 35.120 23.683 1281 2H15 BDM 1 2H15 BDM 1 -1.756 35.638 24.761 1282 1H16 BDM 1 1H16 BDM 1 -4.014 37.352 23.550 1283 2H16 BDM 1 2H16 BDM 1 -3.901 36.780 25.200 1284 1H17 BDM 1 1H17 BDM 1 -2.500 39.100 23.850 1285 2H17 BDM 1 2H17 BDM 1 -1.532 38.282 25.051 1286 H18 BDM 1 H18 BDM 1 -2.929 40.280 25.859 1287 1H19 BDM 1 1H19 BDM 1 -5.233 38.254 25.644 1288 2H19 BDM 1 2H19 BDM 1 -5.341 39.854 26.363 1289 1H20 BDM 1 1H20 BDM 1 -4.776 40.888 24.093 1290 2H20 BDM 1 2H20 BDM 1 -4.721 39.277 23.392 No H/Q in entry = 1290 Start of MODEL 12 Raw file had 1315 H/Q atoms Start of MODEL 12 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.712 24.271 25.515 24 HA LEU 4 HA LEU 4 -3.625 25.180 25.241 25 1HB LEU 4 1HB LEU 4 -2.702 26.360 27.059 26 2HB LEU 4 2HB LEU 4 -1.080 26.443 26.394 27 HG LEU 4 HG LEU 4 -1.776 28.381 24.945 28 1HD1 LEU 4 1HD1 LEU 4 -4.226 27.993 24.941 29 2HD1 LEU 4 2HD1 LEU 4 -4.321 28.408 26.672 30 3HD1 LEU 4 3HD1 LEU 4 -3.847 29.640 25.476 31 1HD2 LEU 4 1HD2 LEU 4 -0.949 28.772 27.789 32 2HD2 LEU 4 2HD2 LEU 4 -0.807 29.869 26.499 33 3HD2 LEU 4 3HD2 LEU 4 -2.164 29.997 27.433 34 H TRP 5 H TRP 5 -3.944 24.950 22.999 35 HA TRP 5 HA TRP 5 -2.346 26.756 21.268 36 1HB TRP 5 1HB TRP 5 -1.254 25.397 19.836 37 2HB TRP 5 2HB TRP 5 -1.071 24.510 21.314 38 HD1 TRP 5 HD1 TRP 5 -2.332 24.186 17.786 39 HE1 TRP 5 HE1 TRP 5 -3.135 21.737 17.255 40 HE3 TRP 5 HE3 TRP 5 -2.466 22.580 22.612 41 HZ2 TRP 5 HZ2 TRP 5 -3.590 19.448 18.877 42 HZ3 TRP 5 HZ3 TRP 5 -3.023 20.221 23.069 43 HH2 TRP 5 HH2 TRP 5 -3.558 18.663 21.224 44 H ALA 6 H ALA 6 -2.924 26.747 18.986 45 HA ALA 6 HA ALA 6 -5.867 26.275 18.399 46 1HB ALA 6 3HB ALA 6 -4.429 29.001 17.999 47 2HB ALA 6 1HB ALA 6 -6.059 28.601 17.395 48 3HB ALA 6 2HB ALA 6 -5.747 28.651 19.140 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.220 32.468 14.084 136 1HB LEU 19 1HB LEU 19 -1.138 35.241 14.517 137 2HB LEU 19 2HB LEU 19 -2.066 33.786 14.356 138 HG LEU 19 HG LEU 19 0.022 33.984 16.643 139 1HD1 LEU 19 1HD1 LEU 19 -2.798 35.206 16.548 140 2HD1 LEU 19 2HD1 LEU 19 -2.027 34.732 18.057 141 3HD1 LEU 19 3HD1 LEU 19 -1.254 35.964 17.060 142 1HD2 LEU 19 2HD2 LEU 19 -1.206 31.729 16.170 143 2HD2 LEU 19 3HD2 LEU 19 -1.636 32.426 17.757 144 3HD2 LEU 19 1HD2 LEU 19 -2.759 32.576 16.398 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.280 34.179 19.535 193 HA ASP 26 HA ASP 26 -9.702 32.158 21.686 194 1HB ASP 26 1HB ASP 26 -9.929 31.609 19.200 195 2HB ASP 26 2HB ASP 26 -8.586 32.679 18.830 196 H LEU 27 H LEU 27 -8.341 35.103 20.627 197 HA LEU 27 HA LEU 27 -5.875 34.808 22.337 198 1HB LEU 27 1HB LEU 27 -6.928 36.917 20.341 199 2HB LEU 27 2HB LEU 27 -5.582 37.296 21.377 200 HG LEU 27 HG LEU 27 -5.526 34.641 19.807 201 1HD1 LEU 27 3HD1 LEU 27 -5.958 36.372 18.023 202 2HD1 LEU 27 1HD1 LEU 27 -4.403 37.152 18.475 203 3HD1 LEU 27 2HD1 LEU 27 -4.456 35.471 17.903 204 1HD2 LEU 27 1HD2 LEU 27 -3.362 36.549 20.887 205 2HD2 LEU 27 2HD2 LEU 27 -3.839 34.989 21.580 206 3HD2 LEU 27 3HD2 LEU 27 -3.054 35.034 20.004 207 H HIS 28 H HIS 28 -8.959 36.557 22.545 208 HA HIS 28 HA HIS 28 -8.505 37.536 25.320 209 1HB HIS 28 1HB HIS 28 -11.144 36.776 23.897 210 2HB HIS 28 2HB HIS 28 -11.048 37.530 25.474 211 HD1 HIS 28 HD1 HIS 28 -8.922 39.865 25.078 212 HD2 HIS 28 HD2 HIS 28 -11.707 38.640 22.064 213 HE1 HIS 28 HE1 HIS 28 -9.206 41.678 23.435 214 HE2 HIS 28 HE2 HIS 28 -10.911 41.152 21.564 215 H TYR 29 H TYR 29 -9.623 34.312 24.091 216 HA TYR 29 HA TYR 29 -9.869 33.219 26.898 217 1HB TYR 29 1HB TYR 29 -11.378 32.500 25.020 218 2HB TYR 29 2HB TYR 29 -10.056 32.193 23.942 219 HD1 TYR 29 HD1 TYR 29 -8.650 30.135 24.110 220 HD2 TYR 29 HD2 TYR 29 -12.215 30.683 26.466 221 HE1 TYR 29 HE1 TYR 29 -8.859 27.704 24.378 222 HE2 TYR 29 HE2 TYR 29 -12.420 28.246 26.706 223 HH TYR 29 HH TYR 29 -11.557 26.262 26.207 224 H PHE 30 H PHE 30 -7.176 33.571 24.628 225 HA PHE 30 HA PHE 30 -5.370 31.704 26.086 226 1HB PHE 30 1HB PHE 30 -4.861 32.706 23.787 227 2HB PHE 30 2HB PHE 30 -4.575 34.245 24.543 228 HD1 PHE 30 HD2 PHE 30 -2.723 34.013 26.746 229 HD2 PHE 30 HD1 PHE 30 -2.970 31.434 23.321 230 HE1 PHE 30 HE2 PHE 30 -0.484 33.235 27.166 231 HE2 PHE 30 HE1 PHE 30 -0.583 30.883 23.587 232 HZ PHE 30 HZ PHE 30 0.680 31.803 25.503 233 H ARG 31 H ARG 31 -6.101 35.216 26.360 234 HA ARG 31 HA ARG 31 -4.534 36.085 28.576 235 1HB ARG 31 1HB ARG 31 -5.926 37.496 27.217 236 2HB ARG 31 2HB ARG 31 -7.398 36.643 27.656 237 1HG ARG 31 1HG ARG 31 -7.351 37.514 29.947 238 2HG ARG 31 2HG ARG 31 -5.731 38.173 29.745 239 1HD ARG 31 1HD ARG 31 -6.547 39.874 28.099 240 2HD ARG 31 2HD ARG 31 -8.131 39.124 28.054 241 HE ARG 31 HE ARG 31 -8.783 40.254 30.031 242 1HH1 ARG 31 2HH1 ARG 31 -5.245 40.512 29.785 243 2HH1 ARG 31 1HH1 ARG 31 -5.232 41.736 31.152 244 1HH2 ARG 31 1HH2 ARG 31 -8.645 41.647 31.568 245 2HH2 ARG 31 2HH2 ARG 31 -7.026 42.332 32.091 246 H ALA 32 H ALA 32 -7.580 34.244 28.731 247 HA ALA 32 HA ALA 32 -7.375 34.254 31.794 248 1HB ALA 32 2HB ALA 32 -9.444 35.376 30.496 249 2HB ALA 32 3HB ALA 32 -9.768 33.829 29.704 250 3HB ALA 32 1HB ALA 32 -10.028 33.983 31.447 251 H GLN 33 H GLN 33 -7.724 31.900 29.121 252 HA GLN 33 HA GLN 33 -7.867 29.528 30.937 253 1HB GLN 33 1HB GLN 33 -6.644 29.758 28.125 254 2HB GLN 33 2HB GLN 33 -6.635 28.283 29.053 255 1HG GLN 33 1HG GLN 33 -9.204 29.720 28.155 256 2HG GLN 33 2HG GLN 33 -8.418 28.382 27.347 257 1HE2 GLN 33 2HE2 GLN 33 -10.902 27.474 30.420 258 2HE2 GLN 33 1HE2 GLN 33 -10.618 29.190 29.837 259 H THR 34 H THR 34 -5.356 31.780 30.012 260 HA THR 34 HA THR 34 -3.754 30.683 32.334 261 HB THR 34 HB THR 34 -1.613 31.527 31.376 262 HG1 THR 34 HG1 THR 34 -1.499 31.830 29.147 263 1HG2 THR 34 2HG2 THR 34 -2.077 29.097 31.244 264 2HG2 THR 34 3HG2 THR 34 -2.810 29.316 29.626 265 3HG2 THR 34 1HG2 THR 34 -1.088 29.678 29.891 266 H VAL 35 H VAL 35 -5.712 32.346 32.879 267 HA VAL 35 HA VAL 35 -4.150 34.790 33.652 268 HB VAL 35 HB VAL 35 -5.767 35.166 35.594 269 1HG1 VAL 35 2HG1 VAL 35 -5.391 36.753 33.743 270 2HG1 VAL 35 3HG1 VAL 35 -6.721 36.015 32.828 271 3HG1 VAL 35 1HG1 VAL 35 -7.038 36.786 34.388 272 1HG2 VAL 35 2HG2 VAL 35 -7.236 33.134 35.391 273 2HG2 VAL 35 3HG2 VAL 35 -8.120 34.667 35.342 274 3HG2 VAL 35 1HG2 VAL 35 -7.853 33.758 33.847 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.617 36.259 20.166 381 HA SER 48 HA SER 48 6.524 38.479 18.463 382 1HB SER 48 1HB SER 48 5.261 36.781 17.300 383 2HB SER 48 2HB SER 48 6.925 36.247 17.476 384 HG SER 48 HG SER 48 4.728 35.493 19.114 385 H PHE 49 H PHE 49 5.648 37.507 21.642 386 HA PHE 49 HA PHE 49 2.757 38.134 21.475 387 1HB PHE 49 1HB PHE 49 4.652 38.374 23.908 388 2HB PHE 49 2HB PHE 49 2.947 38.716 23.982 389 HD1 PHE 49 HD1 PHE 49 1.295 36.714 23.071 390 HD2 PHE 49 HD2 PHE 49 5.127 36.214 25.012 391 HE1 PHE 49 HE1 PHE 49 0.816 34.381 23.527 392 HE2 PHE 49 HE2 PHE 49 4.601 33.921 25.402 393 HZ PHE 49 HZ PHE 49 2.449 32.957 24.659 394 HA PRO 50 HA PRO 50 3.498 42.675 20.736 395 1HB PRO 50 1HB PRO 50 0.727 42.957 22.001 396 2HB PRO 50 2HB PRO 50 1.376 43.731 20.542 397 1HG PRO 50 1HG PRO 50 -0.256 41.569 20.302 398 2HG PRO 50 2HG PRO 50 1.185 41.683 19.266 399 1HD PRO 50 1HD PRO 50 0.828 39.996 21.802 400 2HD PRO 50 2HD PRO 50 1.605 39.569 20.244 401 H LYS 51 H LYS 51 1.900 42.063 23.908 402 HA LYS 51 HA LYS 51 3.786 44.011 25.302 403 1HB LYS 51 2HB LYS 51 1.308 43.952 25.762 404 2HB LYS 51 1HB LYS 51 1.494 42.334 26.447 405 1HG LYS 51 2HG LYS 51 3.177 43.248 28.104 406 2HG LYS 51 1HG LYS 51 3.017 44.853 27.401 407 1HD LYS 51 2HD LYS 51 0.618 44.978 28.070 408 2HD LYS 51 1HD LYS 51 0.651 43.314 28.656 409 1HE LYS 51 2HE LYS 51 2.323 43.937 30.444 410 2HE LYS 51 1HE LYS 51 2.371 45.601 29.842 411 1HZ LYS 51 3HZ LYS 51 -0.003 45.803 30.369 412 2HZ LYS 51 1HZ LYS 51 -0.051 44.251 30.934 413 3HZ LYS 51 2HZ LYS 51 0.863 45.386 31.713 414 H ARG 52 H ARG 52 5.475 43.282 26.401 415 HA ARG 52 HA ARG 52 5.987 40.261 26.784 416 1HB ARG 52 1HB ARG 52 7.745 42.445 25.533 417 2HB ARG 52 2HB ARG 52 8.468 41.066 26.327 418 1HG ARG 52 1HG ARG 52 7.613 39.468 24.821 419 2HG ARG 52 2HG ARG 52 6.322 40.483 24.230 420 1HD ARG 52 1HD ARG 52 9.294 41.180 23.681 421 2HD ARG 52 2HD ARG 52 8.413 40.024 22.717 422 HE ARG 52 HE ARG 52 6.887 41.730 21.848 423 1HH1 ARG 52 2HH1 ARG 52 9.474 43.143 23.840 424 2HH1 ARG 52 1HH1 ARG 52 9.168 44.786 23.084 425 1HH2 ARG 52 1HH2 ARG 52 6.631 43.635 21.062 426 2HH2 ARG 52 2HH2 ARG 52 7.668 45.044 21.619 427 HA PRO 53 HA PRO 53 5.750 39.145 28.620 428 1HB PRO 53 1HB PRO 53 4.932 38.796 31.243 429 2HB PRO 53 2HB PRO 53 6.568 38.478 30.670 430 1HG PRO 53 1HG PRO 53 5.544 40.974 32.103 431 2HG PRO 53 2HG PRO 53 7.016 40.036 32.455 432 1HD PRO 53 1HD PRO 53 7.062 42.360 30.930 433 2HD PRO 53 2HD PRO 53 8.199 41.017 30.616 434 H LEU 54 H LEU 54 3.627 38.583 28.398 435 HA LEU 54 HA LEU 54 1.367 40.471 28.767 436 1HB LEU 54 1HB LEU 54 -0.225 38.450 28.735 437 2HB LEU 54 2HB LEU 54 0.505 39.022 27.271 438 HG LEU 54 HG LEU 54 1.069 36.436 28.795 439 1HD1 LEU 54 2HD1 LEU 54 -0.965 36.468 27.337 440 2HD1 LEU 54 3HD1 LEU 54 -0.012 37.013 25.944 441 3HD1 LEU 54 1HD1 LEU 54 0.247 35.401 26.624 442 1HD2 LEU 54 3HD2 LEU 54 2.629 37.543 26.367 443 2HD2 LEU 54 1HD2 LEU 54 3.304 36.984 27.912 444 3HD2 LEU 54 2HD2 LEU 54 2.597 35.818 26.813 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.870 36.849 34.811 459 HA ARG 57 HA ARG 57 -0.097 34.160 35.775 460 1HB ARG 57 1HB ARG 57 -0.214 33.100 33.529 461 2HB ARG 57 2HB ARG 57 -1.278 34.475 33.480 462 1HG ARG 57 1HG ARG 57 0.990 35.682 32.408 463 2HG ARG 57 2HG ARG 57 1.363 34.028 32.029 464 1HD ARG 57 1HD ARG 57 0.334 34.760 30.048 465 2HD ARG 57 2HD ARG 57 -0.998 33.924 30.820 466 HE ARG 57 HE ARG 57 -0.855 36.838 31.562 467 1HH1 ARG 57 2HH1 ARG 57 -2.196 34.836 29.049 468 2HH1 ARG 57 1HH1 ARG 57 -3.487 36.155 28.839 469 1HH2 ARG 57 1HH2 ARG 57 -2.341 37.990 31.419 470 2HH2 ARG 57 2HH2 ARG 57 -3.374 37.848 29.864 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.210 19.624 903 HB THR 116 HB THR 116 -7.836 27.413 19.038 904 HG1 THR 116 HG1 THR 116 -8.673 28.281 20.903 905 1HG2 THR 116 3HG2 THR 116 -10.939 27.422 19.146 906 2HG2 THR 116 1HG2 THR 116 -9.921 28.864 18.969 907 3HG2 THR 116 2HG2 THR 116 -9.936 27.641 17.694 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.525 31.839 20.528 1268 1HN2 BDM 1 1H2 BDM 1 -6.582 30.429 21.760 1269 2HN2 BDM 1 2H2 BDM 1 -5.775 28.846 22.219 1270 1HN4 BDM 1 1H4 BDM 1 -0.567 29.295 20.632 1271 2HN4 BDM 1 2H4 BDM 1 -1.726 27.994 21.209 1272 H6 BDM 1 H6 BDM 1 -3.356 32.948 20.002 1273 1H7 BDM 1 1H7 BDM 1 -0.476 31.625 19.515 1274 2H7 BDM 1 2H7 BDM 1 -0.130 31.344 21.211 1275 H9 BDM 1 H9 BDM 1 -1.470 33.651 22.812 1276 H13 BDM 1 H13 BDM 1 0.225 33.299 18.901 1277 1H14 BDM 1 1H14 BDM 1 2.727 36.186 18.012 1278 2H14 BDM 1 2H14 BDM 1 2.519 36.112 19.792 1279 3H14 BDM 1 3H14 BDM 1 2.458 34.613 18.820 1280 1H15 BDM 1 1H15 BDM 1 -3.074 35.787 23.630 1281 2H15 BDM 1 2H15 BDM 1 -1.741 35.634 24.715 1282 1H16 BDM 1 1H16 BDM 1 -1.449 38.228 24.609 1283 2H16 BDM 1 2H16 BDM 1 -2.926 38.318 23.677 1284 1H17 BDM 1 1H17 BDM 1 -2.873 37.092 26.495 1285 2H17 BDM 1 2H17 BDM 1 -4.290 37.597 25.612 1286 H18 BDM 1 H18 BDM 1 -2.122 39.645 26.367 1287 1H19 BDM 1 1H19 BDM 1 -4.447 41.038 26.453 1288 2H19 BDM 1 2H19 BDM 1 -3.557 40.794 24.976 1289 1H20 BDM 1 1H20 BDM 1 -5.099 39.380 24.016 1290 2H20 BDM 1 2H20 BDM 1 -5.483 38.548 25.484 No H/Q in entry = 1290 Start of MODEL 13 Raw file had 1315 H/Q atoms Start of MODEL 13 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.712 24.270 25.511 24 HA LEU 4 HA LEU 4 -3.627 25.168 25.228 25 1HB LEU 4 1HB LEU 4 -2.687 26.347 27.048 26 2HB LEU 4 2HB LEU 4 -1.079 26.455 26.361 27 HG LEU 4 HG LEU 4 -1.869 28.366 24.889 28 1HD1 LEU 4 2HD1 LEU 4 -4.311 27.920 25.001 29 2HD1 LEU 4 3HD1 LEU 4 -4.334 28.353 26.730 30 3HD1 LEU 4 1HD1 LEU 4 -3.945 29.580 25.500 31 1HD2 LEU 4 1HD2 LEU 4 -0.992 28.780 27.729 32 2HD2 LEU 4 2HD2 LEU 4 -0.805 29.830 26.412 33 3HD2 LEU 4 3HD2 LEU 4 -2.160 30.045 27.294 34 H TRP 5 H TRP 5 -3.943 24.931 22.988 35 HA TRP 5 HA TRP 5 -2.345 26.735 21.258 36 1HB TRP 5 1HB TRP 5 -1.258 25.384 19.818 37 2HB TRP 5 2HB TRP 5 -1.066 24.498 21.296 38 HD1 TRP 5 HD1 TRP 5 -2.338 24.168 17.775 39 HE1 TRP 5 HE1 TRP 5 -3.145 21.719 17.251 40 HE3 TRP 5 HE3 TRP 5 -2.459 22.571 22.604 41 HZ2 TRP 5 HZ2 TRP 5 -3.593 19.433 18.878 42 HZ3 TRP 5 HZ3 TRP 5 -3.017 20.214 23.068 43 HH2 TRP 5 HH2 TRP 5 -3.557 18.653 21.226 44 H ALA 6 H ALA 6 -2.924 26.742 18.981 45 HA ALA 6 HA ALA 6 -5.870 26.278 18.395 46 1HB ALA 6 3HB ALA 6 -4.423 29.000 18.005 47 2HB ALA 6 1HB ALA 6 -6.052 28.608 17.396 48 3HB ALA 6 2HB ALA 6 -5.745 28.652 19.142 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.223 32.468 14.082 136 1HB LEU 19 1HB LEU 19 -1.130 35.240 14.537 137 2HB LEU 19 2HB LEU 19 -2.061 33.787 14.373 138 HG LEU 19 HG LEU 19 0.037 33.969 16.659 139 1HD1 LEU 19 3HD1 LEU 19 -2.779 35.199 16.579 140 2HD1 LEU 19 1HD1 LEU 19 -2.011 34.706 18.080 141 3HD1 LEU 19 2HD1 LEU 19 -1.232 35.947 17.102 142 1HD2 LEU 19 2HD2 LEU 19 -1.209 31.721 16.172 143 2HD2 LEU 19 3HD2 LEU 19 -1.621 32.411 17.767 144 3HD2 LEU 19 1HD2 LEU 19 -2.753 32.578 16.418 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.316 34.157 19.519 193 HA ASP 26 HA ASP 26 -9.741 32.107 21.641 194 1HB ASP 26 1HB ASP 26 -9.959 31.567 19.168 195 2HB ASP 26 2HB ASP 26 -8.623 32.646 18.797 196 H LEU 27 H LEU 27 -8.351 35.048 20.617 197 HA LEU 27 HA LEU 27 -5.897 34.719 22.339 198 1HB LEU 27 1HB LEU 27 -6.934 36.875 20.387 199 2HB LEU 27 2HB LEU 27 -5.587 37.213 21.436 200 HG LEU 27 HG LEU 27 -5.552 34.607 19.782 201 1HD1 LEU 27 3HD1 LEU 27 -5.953 36.388 18.048 202 2HD1 LEU 27 1HD1 LEU 27 -4.395 37.145 18.535 203 3HD1 LEU 27 2HD1 LEU 27 -4.454 35.483 17.914 204 1HD2 LEU 27 1HD2 LEU 27 -3.393 36.445 20.972 205 2HD2 LEU 27 2HD2 LEU 27 -3.867 34.827 21.533 206 3HD2 LEU 27 3HD2 LEU 27 -3.057 35.006 19.982 207 H HIS 28 H HIS 28 -8.989 36.483 22.530 208 HA HIS 28 HA HIS 28 -8.663 37.417 25.312 209 1HB HIS 28 1HB HIS 28 -11.266 36.391 24.036 210 2HB HIS 28 2HB HIS 28 -11.135 37.361 25.486 211 HD1 HIS 28 HD1 HIS 28 -9.504 40.027 24.626 212 HD2 HIS 28 HD2 HIS 28 -12.616 37.953 22.479 213 HE1 HIS 28 HE1 HIS 28 -10.611 41.578 23.064 214 HE2 HIS 28 HE2 HIS 28 -12.548 40.514 21.705 215 H TYR 29 H TYR 29 -9.688 34.164 24.063 216 HA TYR 29 HA TYR 29 -9.924 33.057 26.864 217 1HB TYR 29 1HB TYR 29 -11.461 32.315 25.033 218 2HB TYR 29 2HB TYR 29 -10.167 32.027 23.914 219 HD1 TYR 29 HD1 TYR 29 -8.687 29.997 24.085 220 HD2 TYR 29 HD2 TYR 29 -12.246 30.467 26.470 221 HE1 TYR 29 HE1 TYR 29 -8.800 27.566 24.417 222 HE2 TYR 29 HE2 TYR 29 -12.358 28.031 26.766 223 HH TYR 29 HH TYR 29 -9.915 25.875 25.314 224 H PHE 30 H PHE 30 -7.273 33.276 24.465 225 HA PHE 30 HA PHE 30 -5.434 31.384 25.768 226 1HB PHE 30 1HB PHE 30 -4.889 32.570 23.595 227 2HB PHE 30 2HB PHE 30 -4.698 34.072 24.447 228 HD1 PHE 30 HD2 PHE 30 -2.790 34.071 26.464 229 HD2 PHE 30 HD1 PHE 30 -3.042 31.121 23.374 230 HE1 PHE 30 HE2 PHE 30 -0.485 33.388 26.905 231 HE2 PHE 30 HE1 PHE 30 -0.637 30.650 23.626 232 HZ PHE 30 HZ PHE 30 0.642 31.784 25.405 233 H ARG 31 H ARG 31 -6.158 34.845 26.392 234 HA ARG 31 HA ARG 31 -4.415 35.317 28.660 235 1HB ARG 31 1HB ARG 31 -5.794 36.964 27.263 236 2HB ARG 31 2HB ARG 31 -7.211 36.496 28.208 237 1HG ARG 31 1HG ARG 31 -5.936 37.137 30.335 238 2HG ARG 31 2HG ARG 31 -4.561 37.611 29.340 239 1HD ARG 31 1HD ARG 31 -6.076 39.350 28.186 240 2HD ARG 31 2HD ARG 31 -7.374 38.913 29.306 241 HE ARG 31 HE ARG 31 -4.988 39.611 30.860 242 1HH1 ARG 31 2HH1 ARG 31 -7.424 41.212 28.823 243 2HH1 ARG 31 1HH1 ARG 31 -7.141 42.794 29.709 244 1HH2 ARG 31 1HH2 ARG 31 -4.749 41.460 31.795 245 2HH2 ARG 31 2HH2 ARG 31 -5.729 42.922 31.277 246 H ALA 32 H ALA 32 -7.955 34.561 28.729 247 HA ALA 32 HA ALA 32 -7.643 34.247 31.709 248 1HB ALA 32 2HB ALA 32 -9.716 35.400 30.395 249 2HB ALA 32 3HB ALA 32 -10.072 33.846 29.630 250 3HB ALA 32 1HB ALA 32 -10.338 34.038 31.367 251 H GLN 33 H GLN 33 -7.636 31.864 29.191 252 HA GLN 33 HA GLN 33 -8.165 29.532 31.000 253 1HB GLN 33 1HB GLN 33 -6.518 29.742 28.413 254 2HB GLN 33 2HB GLN 33 -6.560 28.285 29.372 255 1HG GLN 33 1HG GLN 33 -9.078 29.567 28.136 256 2HG GLN 33 2HG GLN 33 -8.112 28.314 27.393 257 1HE2 GLN 33 2HE2 GLN 33 -10.844 27.170 30.185 258 2HE2 GLN 33 1HE2 GLN 33 -10.583 28.924 29.715 259 H THR 34 H THR 34 -5.240 31.381 30.009 260 HA THR 34 HA THR 34 -3.659 30.147 32.285 261 HB THR 34 HB THR 34 -1.686 31.399 31.339 262 HG1 THR 34 HG1 THR 34 -1.908 32.211 29.272 263 1HG2 THR 34 2HG2 THR 34 -2.070 29.039 30.754 264 2HG2 THR 34 3HG2 THR 34 -3.013 29.544 29.322 265 3HG2 THR 34 1HG2 THR 34 -1.288 29.992 29.484 266 H VAL 35 H VAL 35 -5.797 32.681 32.565 267 HA VAL 35 HA VAL 35 -4.132 34.716 33.533 268 HB VAL 35 HB VAL 35 -5.875 35.595 35.166 269 1HG1 VAL 35 2HG1 VAL 35 -5.221 36.780 33.203 270 2HG1 VAL 35 3HG1 VAL 35 -6.222 35.773 32.153 271 3HG1 VAL 35 1HG1 VAL 35 -6.985 36.843 33.348 272 1HG2 VAL 35 1HG2 VAL 35 -7.670 33.572 33.754 273 2HG2 VAL 35 2HG2 VAL 35 -7.530 33.929 35.476 274 3HG2 VAL 35 3HG2 VAL 35 -8.285 35.110 34.405 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.617 36.259 20.170 381 HA SER 48 HA SER 48 6.491 38.493 18.497 382 1HB SER 48 1HB SER 48 5.251 36.796 17.308 383 2HB SER 48 2HB SER 48 6.926 36.290 17.462 384 HG SER 48 HG SER 48 4.756 35.462 19.102 385 H PHE 49 H PHE 49 5.669 37.497 21.669 386 HA PHE 49 HA PHE 49 2.761 38.081 21.543 387 1HB PHE 49 1HB PHE 49 4.691 38.336 23.940 388 2HB PHE 49 2HB PHE 49 2.990 38.688 24.040 389 HD1 PHE 49 HD1 PHE 49 1.337 36.635 23.073 390 HD2 PHE 49 HD2 PHE 49 5.092 36.248 25.198 391 HE1 PHE 49 HE1 PHE 49 0.825 34.361 23.637 392 HE2 PHE 49 HE2 PHE 49 4.499 34.005 25.751 393 HZ PHE 49 HZ PHE 49 2.399 33.003 24.949 394 HA PRO 50 HA PRO 50 3.455 42.612 20.728 395 1HB PRO 50 1HB PRO 50 0.692 42.884 22.015 396 2HB PRO 50 2HB PRO 50 1.321 43.646 20.539 397 1HG PRO 50 1HG PRO 50 -0.291 41.465 20.342 398 2HG PRO 50 2HG PRO 50 1.142 41.578 19.293 399 1HD PRO 50 1HD PRO 50 0.820 39.925 21.856 400 2HD PRO 50 2HD PRO 50 1.587 39.482 20.298 401 H LYS 51 H LYS 51 1.896 42.027 23.921 402 HA LYS 51 HA LYS 51 3.809 43.980 25.277 403 1HB LYS 51 2HB LYS 51 1.333 43.945 25.768 404 2HB LYS 51 1HB LYS 51 1.517 42.331 26.463 405 1HG LYS 51 2HG LYS 51 3.238 43.254 28.084 406 2HG LYS 51 1HG LYS 51 3.054 44.855 27.379 407 1HD LYS 51 2HD LYS 51 0.672 44.974 28.094 408 2HD LYS 51 1HD LYS 51 0.715 43.307 28.672 409 1HE LYS 51 2HE LYS 51 2.409 43.920 30.439 410 2HE LYS 51 1HE LYS 51 2.455 45.586 29.843 411 1HZ LYS 51 1HZ LYS 51 0.042 44.242 30.960 412 2HZ LYS 51 2HZ LYS 51 0.972 45.366 31.734 413 3HZ LYS 51 3HZ LYS 51 0.092 45.797 30.405 414 H ARG 52 H ARG 52 5.510 43.231 26.347 415 HA ARG 52 HA ARG 52 5.995 40.201 26.711 416 1HB ARG 52 1HB ARG 52 7.772 42.408 25.526 417 2HB ARG 52 2HB ARG 52 8.485 41.018 26.308 418 1HG ARG 52 1HG ARG 52 7.691 39.447 24.757 419 2HG ARG 52 2HG ARG 52 6.372 40.435 24.186 420 1HD ARG 52 1HD ARG 52 9.318 41.243 23.654 421 2HD ARG 52 2HD ARG 52 8.490 40.065 22.672 422 HE ARG 52 HE ARG 52 6.900 41.719 21.815 423 1HH1 ARG 52 2HH1 ARG 52 9.423 43.208 23.834 424 2HH1 ARG 52 1HH1 ARG 52 9.065 44.845 23.085 425 1HH2 ARG 52 1HH2 ARG 52 6.585 43.620 21.038 426 2HH2 ARG 52 2HH2 ARG 52 7.568 45.059 21.611 427 HA PRO 53 HA PRO 53 5.715 39.050 28.531 428 1HB PRO 53 1HB PRO 53 4.872 38.685 31.148 429 2HB PRO 53 2HB PRO 53 6.512 38.358 30.593 430 1HG PRO 53 1HG PRO 53 5.485 40.845 32.037 431 2HG PRO 53 2HG PRO 53 6.946 39.892 32.400 432 1HD PRO 53 1HD PRO 53 7.027 42.232 30.898 433 2HD PRO 53 2HD PRO 53 8.162 40.887 30.591 434 H LEU 54 H LEU 54 3.527 38.476 28.381 435 HA LEU 54 HA LEU 54 1.389 40.512 28.798 436 1HB LEU 54 1HB LEU 54 -0.380 38.760 28.664 437 2HB LEU 54 2HB LEU 54 0.463 39.203 27.211 438 HG LEU 54 HG LEU 54 0.690 36.567 28.759 439 1HD1 LEU 54 1HD1 LEU 54 -1.428 36.887 27.397 440 2HD1 LEU 54 2HD1 LEU 54 -0.450 37.251 25.958 441 3HD1 LEU 54 3HD1 LEU 54 -0.402 35.639 26.676 442 1HD2 LEU 54 2HD2 LEU 54 2.273 37.458 26.293 443 2HD2 LEU 54 3HD2 LEU 54 2.914 36.838 27.837 444 3HD2 LEU 54 1HD2 LEU 54 2.033 35.754 26.763 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.866 36.850 34.800 459 HA ARG 57 HA ARG 57 -0.081 34.173 35.792 460 1HB ARG 57 1HB ARG 57 -0.202 33.056 33.603 461 2HB ARG 57 2HB ARG 57 -1.303 34.406 33.568 462 1HG ARG 57 1HG ARG 57 0.892 35.645 32.372 463 2HG ARG 57 2HG ARG 57 1.278 33.985 32.012 464 1HD ARG 57 1HD ARG 57 0.032 34.553 30.102 465 2HD ARG 57 2HD ARG 57 -1.223 33.800 31.103 466 HE ARG 57 HE ARG 57 -0.950 36.806 31.473 467 1HH1 ARG 57 2HH1 ARG 57 -2.636 34.392 29.639 468 2HH1 ARG 57 1HH1 ARG 57 -3.891 35.619 29.138 469 1HH2 ARG 57 1HH2 ARG 57 -2.433 38.015 31.132 470 2HH2 ARG 57 2HH2 ARG 57 -3.778 37.611 29.956 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.209 19.624 903 HB THR 116 HB THR 116 -7.841 27.411 19.034 904 HG1 THR 116 HG1 THR 116 -8.675 28.282 20.901 905 1HG2 THR 116 3HG2 THR 116 -10.944 27.413 19.145 906 2HG2 THR 116 1HG2 THR 116 -9.932 28.860 18.975 907 3HG2 THR 116 2HG2 THR 116 -9.941 27.642 17.694 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.527 31.810 20.559 1268 1HN2 BDM 1 1H2 BDM 1 -5.770 28.808 22.243 1269 2HN2 BDM 1 2H2 BDM 1 -6.579 30.390 21.785 1270 1HN4 BDM 1 1H4 BDM 1 -0.568 29.269 20.628 1271 2HN4 BDM 1 2H4 BDM 1 -1.717 27.964 21.217 1272 H6 BDM 1 H6 BDM 1 -3.365 32.907 20.009 1273 1H7 BDM 1 1H7 BDM 1 -0.518 31.645 19.478 1274 2H7 BDM 1 2H7 BDM 1 -0.112 31.287 21.148 1275 H9 BDM 1 H9 BDM 1 -1.433 33.496 22.915 1276 H13 BDM 1 H13 BDM 1 0.191 33.373 18.954 1277 1H14 BDM 1 1H14 BDM 1 2.692 36.280 18.197 1278 2H14 BDM 1 2H14 BDM 1 2.548 35.923 19.947 1279 3H14 BDM 1 3H14 BDM 1 2.357 34.614 18.748 1280 1H15 BDM 1 1H15 BDM 1 -3.157 35.662 23.412 1281 2H15 BDM 1 2H15 BDM 1 -2.325 35.895 24.878 1282 1H16 BDM 1 1H16 BDM 1 -1.934 38.305 24.466 1283 2H16 BDM 1 2H16 BDM 1 -2.673 38.210 22.875 1284 1H17 BDM 1 1H17 BDM 1 -4.357 37.294 25.270 1285 2H17 BDM 1 2H17 BDM 1 -4.869 37.936 23.721 1286 H18 BDM 1 H18 BDM 1 -3.975 40.229 24.451 1287 1H19 BDM 1 1H19 BDM 1 -6.317 39.343 24.373 1288 2H19 BDM 1 2H19 BDM 1 -6.167 38.748 26.006 1289 1H20 BDM 1 1H20 BDM 1 -5.768 41.252 26.734 1290 2H20 BDM 1 2H20 BDM 1 -6.214 41.701 25.096 No H/Q in entry = 1290 Start of MODEL 14 Raw file had 1315 H/Q atoms Start of MODEL 14 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.709 24.266 25.506 24 HA LEU 4 HA LEU 4 -3.622 25.166 25.211 25 1HB LEU 4 1HB LEU 4 -2.694 26.365 27.031 26 2HB LEU 4 2HB LEU 4 -1.079 26.452 26.361 27 HG LEU 4 HG LEU 4 -1.820 28.339 24.853 28 1HD1 LEU 4 3HD1 LEU 4 -4.272 27.877 24.912 29 2HD1 LEU 4 1HD1 LEU 4 -4.339 28.397 26.616 30 3HD1 LEU 4 2HD1 LEU 4 -3.905 29.554 25.334 31 1HD2 LEU 4 2HD2 LEU 4 -1.011 28.815 27.692 32 2HD2 LEU 4 3HD2 LEU 4 -0.812 29.855 26.364 33 3HD2 LEU 4 1HD2 LEU 4 -2.193 30.054 27.212 34 H TRP 5 H TRP 5 -3.960 25.004 22.973 35 HA TRP 5 HA TRP 5 -2.340 26.800 21.259 36 1HB TRP 5 1HB TRP 5 -1.268 25.436 19.797 37 2HB TRP 5 2HB TRP 5 -1.060 24.557 21.275 38 HD1 TRP 5 HD1 TRP 5 -2.345 24.207 17.769 39 HE1 TRP 5 HE1 TRP 5 -3.141 21.753 17.251 40 HE3 TRP 5 HE3 TRP 5 -2.459 22.617 22.604 41 HZ2 TRP 5 HZ2 TRP 5 -3.592 19.470 18.884 42 HZ3 TRP 5 HZ3 TRP 5 -3.024 20.260 23.071 43 HH2 TRP 5 HH2 TRP 5 -3.559 18.697 21.232 44 H ALA 6 H ALA 6 -2.929 26.801 18.973 45 HA ALA 6 HA ALA 6 -5.873 26.305 18.391 46 1HB ALA 6 3HB ALA 6 -4.439 29.029 17.961 47 2HB ALA 6 1HB ALA 6 -6.072 28.622 17.371 48 3HB ALA 6 2HB ALA 6 -5.749 28.692 19.114 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.234 32.467 14.071 136 1HB LEU 19 1HB LEU 19 -1.158 35.209 14.556 137 2HB LEU 19 2HB LEU 19 -2.059 33.730 14.404 138 HG LEU 19 HG LEU 19 0.081 34.023 16.636 139 1HD1 LEU 19 1HD1 LEU 19 -2.832 35.027 16.634 140 2HD1 LEU 19 2HD1 LEU 19 -1.982 34.598 18.109 141 3HD1 LEU 19 3HD1 LEU 19 -1.324 35.883 17.096 142 1HD2 LEU 19 2HD2 LEU 19 -0.865 31.671 16.166 143 2HD2 LEU 19 3HD2 LEU 19 -1.366 32.283 17.759 144 3HD2 LEU 19 1HD2 LEU 19 -2.514 32.301 16.407 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.321 34.166 19.513 193 HA ASP 26 HA ASP 26 -9.853 31.965 21.496 194 1HB ASP 26 1HB ASP 26 -9.907 31.607 19.010 195 2HB ASP 26 2HB ASP 26 -8.699 32.856 18.738 196 H LEU 27 H LEU 27 -8.262 34.927 20.714 197 HA LEU 27 HA LEU 27 -6.037 34.381 22.667 198 1HB LEU 27 1HB LEU 27 -6.725 36.775 20.854 199 2HB LEU 27 2HB LEU 27 -5.568 36.876 22.155 200 HG LEU 27 HG LEU 27 -4.466 34.679 21.134 201 1HD1 LEU 27 2HD1 LEU 27 -5.834 35.691 18.547 202 2HD1 LEU 27 3HD1 LEU 27 -4.495 34.530 18.635 203 3HD1 LEU 27 1HD1 LEU 27 -6.063 34.086 19.297 204 1HD2 LEU 27 2HD2 LEU 27 -3.464 36.868 21.356 205 2HD2 LEU 27 3HD2 LEU 27 -2.958 36.025 19.884 206 3HD2 LEU 27 1HD2 LEU 27 -4.110 37.405 19.809 207 H HIS 28 H HIS 28 -9.192 35.965 22.806 208 HA HIS 28 HA HIS 28 -8.883 36.856 25.646 209 1HB HIS 28 1HB HIS 28 -11.431 35.973 24.122 210 2HB HIS 28 2HB HIS 28 -11.419 36.662 25.728 211 HD1 HIS 28 HD1 HIS 28 -9.586 39.215 25.537 212 HD2 HIS 28 HD2 HIS 28 -12.029 37.857 22.308 213 HE1 HIS 28 HE1 HIS 28 -9.996 41.068 23.983 214 HE2 HIS 28 HE2 HIS 28 -11.509 40.453 21.981 215 H TYR 29 H TYR 29 -9.795 33.666 24.195 216 HA TYR 29 HA TYR 29 -9.888 32.339 26.910 217 1HB TYR 29 1HB TYR 29 -11.342 31.554 25.024 218 2HB TYR 29 2HB TYR 29 -10.031 31.492 23.892 219 HD1 TYR 29 HD1 TYR 29 -8.323 29.628 23.944 220 HD2 TYR 29 HD2 TYR 29 -11.923 29.532 26.306 221 HE1 TYR 29 HE1 TYR 29 -8.182 27.180 24.076 222 HE2 TYR 29 HE2 TYR 29 -11.779 27.082 26.410 223 HH TYR 29 HH TYR 29 -10.648 25.269 25.799 224 H PHE 30 H PHE 30 -7.305 32.930 24.476 225 HA PHE 30 HA PHE 30 -5.264 31.254 25.791 226 1HB PHE 30 1HB PHE 30 -4.853 32.464 23.578 227 2HB PHE 30 2HB PHE 30 -4.758 33.976 24.437 228 HD1 PHE 30 HD2 PHE 30 -2.837 34.201 26.346 229 HD2 PHE 30 HD1 PHE 30 -2.933 31.073 23.425 230 HE1 PHE 30 HE2 PHE 30 -0.480 33.678 26.802 231 HE2 PHE 30 HE1 PHE 30 -0.518 30.719 23.716 232 HZ PHE 30 HZ PHE 30 0.691 31.975 25.467 233 H ARG 31 H ARG 31 -6.388 34.606 26.332 234 HA ARG 31 HA ARG 31 -4.755 35.502 28.504 235 1HB ARG 31 1HB ARG 31 -6.364 36.872 27.321 236 2HB ARG 31 2HB ARG 31 -7.721 35.878 27.835 237 1HG ARG 31 1HG ARG 31 -7.466 36.588 30.183 238 2HG ARG 31 2HG ARG 31 -5.950 37.416 29.832 239 1HD ARG 31 1HD ARG 31 -7.178 39.093 28.377 240 2HD ARG 31 2HD ARG 31 -8.672 38.207 28.600 241 HE ARG 31 HE ARG 31 -9.018 39.236 30.708 242 1HH1 ARG 31 2HH1 ARG 31 -5.612 39.758 29.830 243 2HH1 ARG 31 1HH1 ARG 31 -5.421 40.924 31.234 244 1HH2 ARG 31 1HH2 ARG 31 -8.684 40.573 32.265 245 2HH2 ARG 31 2HH2 ARG 31 -7.042 41.352 32.516 246 H ALA 32 H ALA 32 -7.866 33.770 28.756 247 HA ALA 32 HA ALA 32 -7.415 33.638 31.750 248 1HB ALA 32 2HB ALA 32 -9.631 34.562 30.505 249 2HB ALA 32 3HB ALA 32 -9.858 32.976 29.761 250 3HB ALA 32 1HB ALA 32 -10.078 33.152 31.505 251 H GLN 33 H GLN 33 -7.703 31.219 29.149 252 HA GLN 33 HA GLN 33 -7.537 28.869 31.005 253 1HB GLN 33 1HB GLN 33 -6.498 29.151 28.122 254 2HB GLN 33 2HB GLN 33 -6.459 27.672 29.044 255 1HG GLN 33 1HG GLN 33 -9.037 29.113 28.183 256 2HG GLN 33 2HG GLN 33 -8.283 27.750 27.394 257 1HE2 GLN 33 2HE2 GLN 33 -10.706 26.964 30.562 258 2HE2 GLN 33 1HE2 GLN 33 -10.373 28.667 29.966 259 H THR 34 H THR 34 -5.473 31.489 30.536 260 HA THR 34 HA THR 34 -3.362 30.024 32.151 261 HB THR 34 HB THR 34 -1.584 31.646 31.289 262 HG1 THR 34 HG1 THR 34 -1.973 32.537 29.285 263 1HG2 THR 34 3HG2 THR 34 -2.756 29.590 29.365 264 2HG2 THR 34 1HG2 THR 34 -1.214 30.462 29.176 265 3HG2 THR 34 2HG2 THR 34 -1.453 29.375 30.567 266 H VAL 35 H VAL 35 -5.666 32.622 32.391 267 HA VAL 35 HA VAL 35 -4.067 34.569 33.487 268 HB VAL 35 HB VAL 35 -5.788 35.524 35.030 269 1HG1 VAL 35 2HG1 VAL 35 -5.186 36.449 32.798 270 2HG1 VAL 35 3HG1 VAL 35 -6.576 35.588 32.106 271 3HG1 VAL 35 1HG1 VAL 35 -6.828 36.801 33.358 272 1HG2 VAL 35 1HG2 VAL 35 -7.653 33.416 33.837 273 2HG2 VAL 35 2HG2 VAL 35 -7.441 33.909 35.519 274 3HG2 VAL 35 3HG2 VAL 35 -8.234 35.005 34.389 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.597 36.262 20.185 381 HA SER 48 HA SER 48 6.510 38.481 18.478 382 1HB SER 48 1HB SER 48 5.238 36.788 17.321 383 2HB SER 48 2HB SER 48 6.899 36.246 17.496 384 HG SER 48 HG SER 48 4.701 35.505 19.139 385 H PHE 49 H PHE 49 5.610 37.501 21.665 386 HA PHE 49 HA PHE 49 2.729 38.172 21.464 387 1HB PHE 49 1HB PHE 49 4.575 38.378 23.938 388 2HB PHE 49 2HB PHE 49 2.873 38.746 23.975 389 HD1 PHE 49 HD1 PHE 49 1.170 36.772 23.104 390 HD2 PHE 49 HD2 PHE 49 5.038 36.183 24.980 391 HE1 PHE 49 HE1 PHE 49 0.694 34.442 23.448 392 HE2 PHE 49 HE2 PHE 49 4.520 33.877 25.266 393 HZ PHE 49 HZ PHE 49 2.379 32.941 24.475 394 HA PRO 50 HA PRO 50 3.550 42.708 20.768 395 1HB PRO 50 1HB PRO 50 0.781 43.028 22.028 396 2HB PRO 50 2HB PRO 50 1.448 43.804 20.578 397 1HG PRO 50 1HG PRO 50 -0.221 41.673 20.314 398 2HG PRO 50 2HG PRO 50 1.226 41.772 19.283 399 1HD PRO 50 1HD PRO 50 0.830 40.066 21.801 400 2HD PRO 50 2HD PRO 50 1.608 39.643 20.243 401 H LYS 51 H LYS 51 1.943 42.090 23.933 402 HA LYS 51 HA LYS 51 3.857 43.999 25.344 403 1HB LYS 51 2HB LYS 51 1.379 43.978 25.803 404 2HB LYS 51 1HB LYS 51 1.537 42.351 26.475 405 1HG LYS 51 2HG LYS 51 3.234 43.221 28.139 406 2HG LYS 51 1HG LYS 51 3.104 44.834 27.449 407 1HD LYS 51 2HD LYS 51 0.711 45.002 28.121 408 2HD LYS 51 1HD LYS 51 0.706 43.330 28.686 409 1HE LYS 51 2HE LYS 51 2.388 43.893 30.485 410 2HE LYS 51 1HE LYS 51 2.475 45.563 29.903 411 1HZ LYS 51 3HZ LYS 51 0.106 45.813 30.429 412 2HZ LYS 51 1HZ LYS 51 0.020 44.256 30.974 413 3HZ LYS 51 2HZ LYS 51 0.959 45.359 31.769 414 H ARG 52 H ARG 52 5.537 43.231 26.428 415 HA ARG 52 HA ARG 52 6.005 40.197 26.773 416 1HB ARG 52 1HB ARG 52 7.796 42.384 25.570 417 2HB ARG 52 2HB ARG 52 8.496 40.977 26.335 418 1HG ARG 52 1HG ARG 52 7.636 39.428 24.787 419 2HG ARG 52 2HG ARG 52 6.348 40.461 24.226 420 1HD ARG 52 1HD ARG 52 9.319 41.162 23.684 421 2HD ARG 52 2HD ARG 52 8.434 40.031 22.696 422 HE ARG 52 HE ARG 52 6.909 41.760 21.869 423 1HH1 ARG 52 2HH1 ARG 52 9.508 43.120 23.883 424 2HH1 ARG 52 1HH1 ARG 52 9.212 44.779 23.157 425 1HH2 ARG 52 1HH2 ARG 52 6.666 43.682 21.119 426 2HH2 ARG 52 2HH2 ARG 52 7.712 45.072 21.699 427 HA PRO 53 HA PRO 53 5.749 39.052 28.600 428 1HB PRO 53 1HB PRO 53 4.918 38.700 31.222 429 2HB PRO 53 2HB PRO 53 6.553 38.362 30.656 430 1HG PRO 53 1HG PRO 53 5.552 40.861 32.100 431 2HG PRO 53 2HG PRO 53 7.010 39.901 32.453 432 1HD PRO 53 1HD PRO 53 7.092 42.236 30.944 433 2HD PRO 53 2HD PRO 53 8.216 40.883 30.630 434 H LEU 54 H LEU 54 3.574 38.511 28.401 435 HA LEU 54 HA LEU 54 1.439 40.544 28.825 436 1HB LEU 54 1HB LEU 54 -0.330 38.804 28.600 437 2HB LEU 54 2HB LEU 54 0.563 39.279 27.186 438 HG LEU 54 HG LEU 54 0.658 36.605 28.672 439 1HD1 LEU 54 3HD1 LEU 54 -0.331 37.469 25.860 440 2HD1 LEU 54 1HD1 LEU 54 -0.225 35.794 26.387 441 3HD1 LEU 54 2HD1 LEU 54 -1.320 36.898 27.225 442 1HD2 LEU 54 2HD2 LEU 54 2.460 37.515 26.346 443 2HD2 LEU 54 3HD2 LEU 54 2.965 36.835 27.911 444 3HD2 LEU 54 1HD2 LEU 54 2.154 35.801 26.734 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.802 459 HA ARG 57 HA ARG 57 -0.077 34.175 35.794 460 1HB ARG 57 1HB ARG 57 -0.183 33.065 33.573 461 2HB ARG 57 2HB ARG 57 -1.346 34.356 33.613 462 1HG ARG 57 1HG ARG 57 0.783 35.702 32.360 463 2HG ARG 57 2HG ARG 57 1.154 34.065 31.921 464 1HD ARG 57 1HD ARG 57 -0.196 34.540 30.093 465 2HD ARG 57 2HD ARG 57 -1.487 33.996 31.183 466 HE ARG 57 HE ARG 57 -0.975 36.928 31.470 467 1HH1 ARG 57 2HH1 ARG 57 -2.606 34.834 29.202 468 2HH1 ARG 57 1HH1 ARG 57 -3.699 36.326 28.891 469 1HH2 ARG 57 1HH2 ARG 57 -2.398 38.188 31.309 470 2HH2 ARG 57 2HH2 ARG 57 -3.575 37.972 29.874 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.206 19.624 903 HB THR 116 HB THR 116 -7.850 27.445 19.042 904 HG1 THR 116 HG1 THR 116 -7.863 27.573 21.046 905 1HG2 THR 116 3HG2 THR 116 -10.956 27.378 19.144 906 2HG2 THR 116 1HG2 THR 116 -9.977 28.846 18.987 907 3HG2 THR 116 2HG2 THR 116 -9.953 27.637 17.698 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.504 31.976 20.484 1268 1HN2 BDM 1 1H2 BDM 1 -6.597 30.546 21.742 1269 2HN2 BDM 1 2H2 BDM 1 -5.808 28.946 22.172 1270 1HN4 BDM 1 1H4 BDM 1 -0.577 29.375 20.649 1271 2HN4 BDM 1 2H4 BDM 1 -1.755 28.071 21.181 1272 H6 BDM 1 H6 BDM 1 -3.344 33.065 20.072 1273 1H7 BDM 1 1H7 BDM 1 -0.433 31.695 19.602 1274 2H7 BDM 1 2H7 BDM 1 -0.173 31.484 21.323 1275 H9 BDM 1 H9 BDM 1 -1.748 33.848 22.679 1276 H13 BDM 1 H13 BDM 1 0.352 33.364 18.994 1277 1H14 BDM 1 1H14 BDM 1 2.480 34.649 18.789 1278 2H14 BDM 1 2H14 BDM 1 2.774 36.221 17.987 1279 3H14 BDM 1 3H14 BDM 1 2.578 36.141 19.771 1280 1H15 BDM 1 1H15 BDM 1 -3.290 35.760 23.439 1281 2H15 BDM 1 2H15 BDM 1 -1.949 35.794 24.487 1282 1H16 BDM 1 1H16 BDM 1 -1.977 38.377 24.463 1283 2H16 BDM 1 2H16 BDM 1 -3.459 38.324 23.530 1284 1H17 BDM 1 1H17 BDM 1 -3.282 36.930 26.257 1285 2H17 BDM 1 2H17 BDM 1 -4.733 37.398 25.415 1286 H18 BDM 1 H18 BDM 1 -2.752 39.562 26.338 1287 1H19 BDM 1 1H19 BDM 1 -5.069 40.801 26.521 1288 2H19 BDM 1 2H19 BDM 1 -4.381 40.527 24.941 1289 1H20 BDM 1 1H20 BDM 1 -6.009 39.058 24.247 1290 2H20 BDM 1 2H20 BDM 1 -6.109 38.229 25.764 No H/Q in entry = 1290 Start of MODEL 15 Raw file had 1315 H/Q atoms Start of MODEL 15 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.714 24.273 25.518 24 HA LEU 4 HA LEU 4 -3.628 25.171 25.222 25 1HB LEU 4 1HB LEU 4 -2.712 26.368 27.045 26 2HB LEU 4 2HB LEU 4 -1.094 26.456 26.378 27 HG LEU 4 HG LEU 4 -1.821 28.360 24.894 28 1HD1 LEU 4 2HD1 LEU 4 -4.273 27.957 24.933 29 2HD1 LEU 4 3HD1 LEU 4 -4.341 28.421 26.652 30 3HD1 LEU 4 1HD1 LEU 4 -3.887 29.618 25.413 31 1HD2 LEU 4 1HD2 LEU 4 -0.966 28.789 27.702 32 2HD2 LEU 4 2HD2 LEU 4 -0.817 29.862 26.396 33 3HD2 LEU 4 3HD2 LEU 4 -2.164 30.035 27.321 34 H TRP 5 H TRP 5 -3.952 24.980 22.982 35 HA TRP 5 HA TRP 5 -2.338 26.786 21.266 36 1HB TRP 5 1HB TRP 5 -1.262 25.425 19.811 37 2HB TRP 5 2HB TRP 5 -1.062 24.542 21.289 38 HD1 TRP 5 HD1 TRP 5 -2.341 24.203 17.776 39 HE1 TRP 5 HE1 TRP 5 -3.139 21.751 17.252 40 HE3 TRP 5 HE3 TRP 5 -2.461 22.605 22.607 41 HZ2 TRP 5 HZ2 TRP 5 -3.592 19.465 18.880 42 HZ3 TRP 5 HZ3 TRP 5 -3.024 20.247 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.559 18.687 21.228 44 H ALA 6 H ALA 6 -2.927 26.788 18.980 45 HA ALA 6 HA ALA 6 -5.869 26.290 18.397 46 1HB ALA 6 3HB ALA 6 -4.451 29.022 17.967 47 2HB ALA 6 1HB ALA 6 -6.086 28.607 17.391 48 3HB ALA 6 2HB ALA 6 -5.749 28.677 19.131 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.235 32.467 14.070 136 1HB LEU 19 1HB LEU 19 -1.158 35.208 14.560 137 2HB LEU 19 2HB LEU 19 -2.059 33.730 14.401 138 HG LEU 19 HG LEU 19 0.079 34.013 16.634 139 1HD1 LEU 19 3HD1 LEU 19 -2.837 35.011 16.637 140 2HD1 LEU 19 1HD1 LEU 19 -1.981 34.580 18.110 141 3HD1 LEU 19 2HD1 LEU 19 -1.331 35.870 17.099 142 1HD2 LEU 19 2HD2 LEU 19 -0.859 31.663 16.152 143 2HD2 LEU 19 3HD2 LEU 19 -1.365 32.264 17.747 144 3HD2 LEU 19 1HD2 LEU 19 -2.510 32.286 16.393 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.286 34.186 19.528 193 HA ASP 26 HA ASP 26 -9.819 32.048 21.576 194 1HB ASP 26 1HB ASP 26 -9.940 31.634 19.076 195 2HB ASP 26 2HB ASP 26 -8.587 32.725 18.804 196 H LEU 27 H LEU 27 -8.227 34.973 20.684 197 HA LEU 27 HA LEU 27 -6.021 34.515 22.695 198 1HB LEU 27 1HB LEU 27 -6.676 36.827 20.761 199 2HB LEU 27 2HB LEU 27 -5.524 36.969 22.062 200 HG LEU 27 HG LEU 27 -4.483 34.681 21.109 201 1HD1 LEU 27 1HD1 LEU 27 -5.742 35.750 18.492 202 2HD1 LEU 27 2HD1 LEU 27 -4.469 34.519 18.616 203 3HD1 LEU 27 3HD1 LEU 27 -6.075 34.165 19.243 204 1HD2 LEU 27 2HD2 LEU 27 -3.381 36.818 21.359 205 2HD2 LEU 27 3HD2 LEU 27 -2.892 35.956 19.890 206 3HD2 LEU 27 1HD2 LEU 27 -3.973 37.390 19.800 207 H HIS 28 H HIS 28 -9.150 36.195 22.644 208 HA HIS 28 HA HIS 28 -8.980 37.193 25.426 209 1HB HIS 28 1HB HIS 28 -11.443 36.141 23.883 210 2HB HIS 28 2HB HIS 28 -11.517 36.869 25.470 211 HD1 HIS 28 HD1 HIS 28 -9.629 39.489 25.126 212 HD2 HIS 28 HD2 HIS 28 -12.368 37.991 22.182 213 HE1 HIS 28 HE1 HIS 28 -10.278 41.308 23.592 214 HE2 HIS 28 HE2 HIS 28 -11.969 40.600 21.763 215 H TYR 29 H TYR 29 -9.801 33.911 24.178 216 HA TYR 29 HA TYR 29 -9.829 32.746 26.970 217 1HB TYR 29 1HB TYR 29 -11.383 31.914 25.185 218 2HB TYR 29 2HB TYR 29 -10.141 31.805 23.983 219 HD1 TYR 29 HD1 TYR 29 -8.395 29.941 24.052 220 HD2 TYR 29 HD2 TYR 29 -12.028 29.886 26.366 221 HE1 TYR 29 HE1 TYR 29 -8.316 27.489 24.133 222 HE2 TYR 29 HE2 TYR 29 -11.947 27.431 26.416 223 HH TYR 29 HH TYR 29 -9.309 25.632 24.825 224 H PHE 30 H PHE 30 -7.259 33.411 24.631 225 HA PHE 30 HA PHE 30 -5.311 31.532 25.858 226 1HB PHE 30 1HB PHE 30 -4.822 32.725 23.675 227 2HB PHE 30 2HB PHE 30 -4.634 34.227 24.539 228 HD1 PHE 30 HD2 PHE 30 -2.762 34.134 26.629 229 HD2 PHE 30 HD1 PHE 30 -2.928 31.382 23.348 230 HE1 PHE 30 HE2 PHE 30 -0.501 33.395 27.120 231 HE2 PHE 30 HE1 PHE 30 -0.538 30.871 23.665 232 HZ PHE 30 HZ PHE 30 0.679 31.872 25.569 233 H ARG 31 H ARG 31 -6.050 35.047 26.432 234 HA ARG 31 HA ARG 31 -4.271 35.473 28.639 235 1HB ARG 31 1HB ARG 31 -5.527 37.268 27.483 236 2HB ARG 31 2HB ARG 31 -7.027 36.763 28.264 237 1HG ARG 31 1HG ARG 31 -6.038 37.225 30.527 238 2HG ARG 31 2HG ARG 31 -4.478 37.583 29.803 239 1HD ARG 31 1HD ARG 31 -5.541 39.589 28.612 240 2HD ARG 31 2HD ARG 31 -7.072 39.231 29.423 241 HE ARG 31 HE ARG 31 -5.143 39.468 31.548 242 1HH1 ARG 31 2HH1 ARG 31 -6.387 41.603 28.990 243 2HH1 ARG 31 1HH1 ARG 31 -6.051 43.074 30.034 244 1HH2 ARG 31 1HH2 ARG 31 -4.803 41.215 32.648 245 2HH2 ARG 31 2HH2 ARG 31 -5.215 42.866 31.963 246 H ALA 32 H ALA 32 -7.579 34.074 28.749 247 HA ALA 32 HA ALA 32 -7.353 34.027 31.787 248 1HB ALA 32 2HB ALA 32 -9.419 35.131 30.472 249 2HB ALA 32 3HB ALA 32 -9.738 33.575 29.695 250 3HB ALA 32 1HB ALA 32 -10.009 33.748 31.433 251 H GLN 33 H GLN 33 -7.728 31.641 29.143 252 HA GLN 33 HA GLN 33 -7.850 29.293 30.999 253 1HB GLN 33 1HB GLN 33 -6.666 29.472 28.166 254 2HB GLN 33 2HB GLN 33 -6.697 28.007 29.104 255 1HG GLN 33 1HG GLN 33 -9.242 29.511 28.250 256 2HG GLN 33 2HG GLN 33 -8.491 28.181 27.399 257 1HE2 GLN 33 2HE2 GLN 33 -10.923 27.239 30.508 258 2HE2 GLN 33 1HE2 GLN 33 -10.614 28.966 29.971 259 H THR 34 H THR 34 -5.420 31.653 30.320 260 HA THR 34 HA THR 34 -3.616 30.148 32.250 261 HB THR 34 HB THR 34 -1.593 31.347 31.291 262 HG1 THR 34 HG1 THR 34 -1.757 32.029 29.170 263 1HG2 THR 34 2HG2 THR 34 -2.039 28.960 30.867 264 2HG2 THR 34 3HG2 THR 34 -2.904 29.385 29.363 265 3HG2 THR 34 1HG2 THR 34 -1.173 29.783 29.567 266 H VAL 35 H VAL 35 -5.747 32.681 32.481 267 HA VAL 35 HA VAL 35 -4.048 34.679 33.560 268 HB VAL 35 HB VAL 35 -5.727 35.473 35.271 269 1HG1 VAL 35 2HG1 VAL 35 -5.179 36.644 33.137 270 2HG1 VAL 35 3HG1 VAL 35 -6.637 35.921 32.419 271 3HG1 VAL 35 1HG1 VAL 35 -6.775 36.966 33.830 272 1HG2 VAL 35 1HG2 VAL 35 -7.721 33.647 33.833 273 2HG2 VAL 35 2HG2 VAL 35 -7.357 33.731 35.560 274 3HG2 VAL 35 3HG2 VAL 35 -8.167 35.085 34.775 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.605 36.261 20.178 381 HA SER 48 HA SER 48 6.521 38.477 18.467 382 1HB SER 48 1HB SER 48 5.251 36.782 17.309 383 2HB SER 48 2HB SER 48 6.912 36.240 17.489 384 HG SER 48 HG SER 48 4.710 35.502 19.128 385 H PHE 49 H PHE 49 5.616 37.491 21.649 386 HA PHE 49 HA PHE 49 2.736 38.164 21.455 387 1HB PHE 49 1HB PHE 49 4.597 38.363 23.917 388 2HB PHE 49 2HB PHE 49 2.897 38.734 23.967 389 HD1 PHE 49 HD1 PHE 49 1.190 36.771 23.101 390 HD2 PHE 49 HD2 PHE 49 5.064 36.168 24.945 391 HE1 PHE 49 HE1 PHE 49 0.683 34.460 23.493 392 HE2 PHE 49 HE2 PHE 49 4.528 33.868 25.267 393 HZ PHE 49 HZ PHE 49 2.352 32.950 24.532 394 HA PRO 50 HA PRO 50 3.561 42.701 20.761 395 1HB PRO 50 1HB PRO 50 0.784 43.021 22.004 396 2HB PRO 50 2HB PRO 50 1.460 43.796 20.557 397 1HG PRO 50 1HG PRO 50 -0.208 41.665 20.285 398 2HG PRO 50 2HG PRO 50 1.245 41.763 19.262 399 1HD PRO 50 1HD PRO 50 0.835 40.060 21.780 400 2HD PRO 50 2HD PRO 50 1.620 39.634 20.226 401 H LYS 51 H LYS 51 1.928 42.086 23.915 402 HA LYS 51 HA LYS 51 3.828 43.999 25.339 403 1HB LYS 51 2HB LYS 51 1.347 43.970 25.780 404 2HB LYS 51 1HB LYS 51 1.506 42.345 26.456 405 1HG LYS 51 2HG LYS 51 3.187 43.223 28.132 406 2HG LYS 51 1HG LYS 51 3.060 44.834 27.436 407 1HD LYS 51 2HD LYS 51 0.658 44.996 28.086 408 2HD LYS 51 1HD LYS 51 0.659 43.329 28.665 409 1HE LYS 51 2HE LYS 51 2.330 43.921 30.467 410 2HE LYS 51 1HE LYS 51 2.404 45.586 29.873 411 1HZ LYS 51 3HZ LYS 51 0.030 45.818 30.385 412 2HZ LYS 51 1HZ LYS 51 -0.043 44.264 30.942 413 3HZ LYS 51 2HZ LYS 51 0.881 45.383 31.733 414 H ARG 52 H ARG 52 5.509 43.238 26.421 415 HA ARG 52 HA ARG 52 5.978 40.207 26.787 416 1HB ARG 52 1HB ARG 52 7.772 42.386 25.576 417 2HB ARG 52 2HB ARG 52 8.470 40.983 26.350 418 1HG ARG 52 1HG ARG 52 7.607 39.425 24.810 419 2HG ARG 52 2HG ARG 52 6.326 40.461 24.238 420 1HD ARG 52 1HD ARG 52 9.304 41.139 23.701 421 2HD ARG 52 2HD ARG 52 8.408 40.014 22.714 422 HE ARG 52 HE ARG 52 6.901 41.756 21.883 423 1HH1 ARG 52 2HH1 ARG 52 9.514 43.094 23.893 424 2HH1 ARG 52 1HH1 ARG 52 9.234 44.754 23.165 425 1HH2 ARG 52 1HH2 ARG 52 6.675 43.679 21.130 426 2HH2 ARG 52 2HH2 ARG 52 7.736 45.060 21.708 427 HA PRO 53 HA PRO 53 5.738 39.065 28.615 428 1HB PRO 53 1HB PRO 53 4.904 38.710 31.234 429 2HB PRO 53 2HB PRO 53 6.544 38.389 30.672 430 1HG PRO 53 1HG PRO 53 5.512 40.881 32.107 431 2HG PRO 53 2HG PRO 53 6.979 39.937 32.468 432 1HD PRO 53 1HD PRO 53 7.046 42.267 30.952 433 2HD PRO 53 2HD PRO 53 8.181 40.921 30.644 434 H LEU 54 H LEU 54 3.582 38.492 28.421 435 HA LEU 54 HA LEU 54 1.393 40.476 28.789 436 1HB LEU 54 1HB LEU 54 -0.302 38.604 28.651 437 2HB LEU 54 2HB LEU 54 0.514 39.147 27.217 438 HG LEU 54 HG LEU 54 0.794 36.480 28.678 439 1HD1 LEU 54 3HD1 LEU 54 -1.205 36.791 27.121 440 2HD1 LEU 54 1HD1 LEU 54 -0.103 37.212 25.795 441 3HD1 LEU 54 2HD1 LEU 54 -0.083 35.588 26.471 442 1HD2 LEU 54 1HD2 LEU 54 2.551 37.506 26.365 443 2HD2 LEU 54 2HD2 LEU 54 3.085 36.836 27.925 444 3HD2 LEU 54 3HD2 LEU 54 2.332 35.776 26.738 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.868 36.850 34.804 459 HA ARG 57 HA ARG 57 -0.085 34.171 35.789 460 1HB ARG 57 1HB ARG 57 -0.221 33.060 33.604 461 2HB ARG 57 2HB ARG 57 -1.290 34.434 33.530 462 1HG ARG 57 1HG ARG 57 0.973 35.600 32.383 463 2HG ARG 57 2HG ARG 57 1.316 33.927 32.041 464 1HD ARG 57 1HD ARG 57 0.157 34.511 30.094 465 2HD ARG 57 2HD ARG 57 -1.182 33.843 31.048 466 HE ARG 57 HE ARG 57 -0.840 36.797 31.501 467 1HH1 ARG 57 2HH1 ARG 57 -2.130 34.672 29.116 468 2HH1 ARG 57 1HH1 ARG 57 -3.064 36.177 28.528 469 1HH2 ARG 57 1HH2 ARG 57 -2.163 38.099 31.062 470 2HH2 ARG 57 2HH2 ARG 57 -3.062 37.853 29.462 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.205 19.623 903 HB THR 116 HB THR 116 -7.846 27.446 19.058 904 HG1 THR 116 HG1 THR 116 -8.705 28.279 20.916 905 1HG2 THR 116 2HG2 THR 116 -10.954 27.383 19.138 906 2HG2 THR 116 3HG2 THR 116 -9.970 28.848 18.986 907 3HG2 THR 116 1HG2 THR 116 -9.943 27.640 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.509 32.000 20.476 1268 1HN2 BDM 1 1H2 BDM 1 -5.866 29.002 22.225 1269 2HN2 BDM 1 2H2 BDM 1 -6.631 30.608 21.774 1270 1HN4 BDM 1 1H4 BDM 1 -0.625 29.331 20.713 1271 2HN4 BDM 1 2H4 BDM 1 -1.823 28.050 21.258 1272 H6 BDM 1 H6 BDM 1 -3.339 33.055 20.078 1273 1H7 BDM 1 1H7 BDM 1 -0.461 31.647 19.610 1274 2H7 BDM 1 2H7 BDM 1 -0.186 31.428 21.328 1275 H9 BDM 1 H9 BDM 1 -1.711 33.813 22.717 1276 H13 BDM 1 H13 BDM 1 0.317 33.307 18.987 1277 1H14 BDM 1 1H14 BDM 1 2.496 34.632 18.822 1278 2H14 BDM 1 2H14 BDM 1 2.752 36.185 17.970 1279 3H14 BDM 1 3H14 BDM 1 2.555 36.158 19.754 1280 1H15 BDM 1 1H15 BDM 1 -3.277 35.886 23.381 1281 2H15 BDM 1 2H15 BDM 1 -2.036 35.781 24.534 1282 1H16 BDM 1 1H16 BDM 1 -1.810 38.215 24.786 1283 2H16 BDM 1 2H16 BDM 1 -2.755 38.535 23.356 1284 1H17 BDM 1 1H17 BDM 1 -4.265 37.105 25.566 1285 2H17 BDM 1 2H17 BDM 1 -4.810 38.284 24.399 1286 H18 BDM 1 H18 BDM 1 -3.300 40.036 25.724 1287 1H19 BDM 1 1H19 BDM 1 -5.859 38.825 26.919 1288 2H19 BDM 1 2H19 BDM 1 -5.331 40.506 27.065 1289 1H20 BDM 1 1H20 BDM 1 -5.494 40.760 24.537 1290 2H20 BDM 1 2H20 BDM 1 -5.966 39.075 24.392 No H/Q in entry = 1290 Start of MODEL 16 Raw file had 1315 H/Q atoms Start of MODEL 16 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.709 24.266 25.509 24 HA LEU 4 HA LEU 4 -3.621 25.168 25.209 25 1HB LEU 4 1HB LEU 4 -2.699 26.372 27.029 26 2HB LEU 4 2HB LEU 4 -1.081 26.452 26.365 27 HG LEU 4 HG LEU 4 -1.801 28.339 24.856 28 1HD1 LEU 4 3HD1 LEU 4 -4.255 27.893 24.886 29 2HD1 LEU 4 1HD1 LEU 4 -4.338 28.410 26.591 30 3HD1 LEU 4 2HD1 LEU 4 -3.883 29.569 25.316 31 1HD2 LEU 4 3HD2 LEU 4 -1.013 28.819 27.696 32 2HD2 LEU 4 1HD2 LEU 4 -0.805 29.856 26.370 33 3HD2 LEU 4 2HD2 LEU 4 -2.190 30.061 27.205 34 H TRP 5 H TRP 5 -3.954 25.000 22.971 35 HA TRP 5 HA TRP 5 -2.331 26.798 21.257 36 1HB TRP 5 1HB TRP 5 -1.266 25.434 19.792 37 2HB TRP 5 2HB TRP 5 -1.057 24.554 21.270 38 HD1 TRP 5 HD1 TRP 5 -2.347 24.205 17.767 39 HE1 TRP 5 HE1 TRP 5 -3.144 21.752 17.250 40 HE3 TRP 5 HE3 TRP 5 -2.457 22.616 22.602 41 HZ2 TRP 5 HZ2 TRP 5 -3.593 19.469 18.883 42 HZ3 TRP 5 HZ3 TRP 5 -3.022 20.260 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.559 18.696 21.232 44 H ALA 6 H ALA 6 -2.927 26.804 18.972 45 HA ALA 6 HA ALA 6 -5.871 26.303 18.394 46 1HB ALA 6 3HB ALA 6 -4.448 29.032 17.960 47 2HB ALA 6 1HB ALA 6 -6.085 28.620 17.386 48 3HB ALA 6 2HB ALA 6 -5.745 28.691 19.126 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.234 32.467 14.070 136 1HB LEU 19 1HB LEU 19 -1.160 35.207 14.555 137 2HB LEU 19 2HB LEU 19 -2.064 33.732 14.382 138 HG LEU 19 HG LEU 19 0.057 33.998 16.628 139 1HD1 LEU 19 1HD1 LEU 19 -2.856 35.007 16.606 140 2HD1 LEU 19 2HD1 LEU 19 -2.025 34.557 18.086 141 3HD1 LEU 19 3HD1 LEU 19 -1.352 35.851 17.096 142 1HD2 LEU 19 2HD2 LEU 19 -0.869 31.651 16.128 143 2HD2 LEU 19 3HD2 LEU 19 -1.391 32.241 17.722 144 3HD2 LEU 19 1HD2 LEU 19 -2.525 32.266 16.358 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.301 34.193 19.521 193 HA ASP 26 HA ASP 26 -9.812 32.033 21.535 194 1HB ASP 26 1HB ASP 26 -9.946 31.655 19.037 195 2HB ASP 26 2HB ASP 26 -8.586 32.741 18.775 196 H LEU 27 H LEU 27 -8.224 34.988 20.662 197 HA LEU 27 HA LEU 27 -6.012 34.489 22.657 198 1HB LEU 27 1HB LEU 27 -6.635 36.844 20.773 199 2HB LEU 27 2HB LEU 27 -5.477 36.943 22.075 200 HG LEU 27 HG LEU 27 -4.411 34.723 21.109 201 1HD1 LEU 27 3HD1 LEU 27 -5.795 35.682 18.507 202 2HD1 LEU 27 1HD1 LEU 27 -4.463 34.513 18.602 203 3HD1 LEU 27 2HD1 LEU 27 -6.024 34.097 19.295 204 1HD2 LEU 27 2HD2 LEU 27 -3.354 36.928 21.229 205 2HD2 LEU 27 3HD2 LEU 27 -2.887 35.995 19.805 206 3HD2 LEU 27 1HD2 LEU 27 -4.023 37.383 19.664 207 H HIS 28 H HIS 28 -9.169 35.984 22.714 208 HA HIS 28 HA HIS 28 -8.922 36.994 25.518 209 1HB HIS 28 1HB HIS 28 -11.421 36.020 23.978 210 2HB HIS 28 2HB HIS 28 -11.461 36.642 25.608 211 HD1 HIS 28 HD1 HIS 28 -9.810 39.291 25.637 212 HD2 HIS 28 HD2 HIS 28 -11.954 37.958 22.187 213 HE1 HIS 28 HE1 HIS 28 -10.237 41.189 24.153 214 HE2 HIS 28 HE2 HIS 28 -11.575 40.594 22.028 215 H TYR 29 H TYR 29 -9.788 33.760 24.172 216 HA TYR 29 HA TYR 29 -9.818 32.480 26.900 217 1HB TYR 29 1HB TYR 29 -11.319 31.703 25.049 218 2HB TYR 29 2HB TYR 29 -10.029 31.604 23.895 219 HD1 TYR 29 HD1 TYR 29 -8.338 29.714 23.962 220 HD2 TYR 29 HD2 TYR 29 -11.947 29.696 26.313 221 HE1 TYR 29 HE1 TYR 29 -8.250 27.263 24.095 222 HE2 TYR 29 HE2 TYR 29 -11.855 27.243 26.418 223 HH TYR 29 HH TYR 29 -9.230 25.418 24.834 224 H PHE 30 H PHE 30 -7.252 33.102 24.484 225 HA PHE 30 HA PHE 30 -5.231 31.301 25.644 226 1HB PHE 30 1HB PHE 30 -4.794 32.625 23.525 227 2HB PHE 30 2HB PHE 30 -4.720 34.102 24.449 228 HD1 PHE 30 HD2 PHE 30 -2.785 34.346 26.288 229 HD2 PHE 30 HD1 PHE 30 -2.915 31.133 23.469 230 HE1 PHE 30 HE2 PHE 30 -0.468 33.736 26.842 231 HE2 PHE 30 HE1 PHE 30 -0.516 30.723 23.811 232 HZ PHE 30 HZ PHE 30 0.690 31.981 25.563 233 H ARG 31 H ARG 31 -6.170 34.665 26.384 234 HA ARG 31 HA ARG 31 -4.458 35.262 28.619 235 1HB ARG 31 1HB ARG 31 -5.876 36.798 27.330 236 2HB ARG 31 2HB ARG 31 -7.348 36.091 27.991 237 1HG ARG 31 1HG ARG 31 -6.759 36.841 30.273 238 2HG ARG 31 2HG ARG 31 -5.158 37.373 29.750 239 1HD ARG 31 1HD ARG 31 -6.238 39.147 28.272 240 2HD ARG 31 2HD ARG 31 -7.825 38.569 28.749 241 HE ARG 31 HE ARG 31 -7.639 39.621 30.900 242 1HH1 ARG 31 2HH1 ARG 31 -4.548 39.956 29.172 243 2HH1 ARG 31 1HH1 ARG 31 -4.002 41.224 30.381 244 1HH2 ARG 31 1HH2 ARG 31 -6.913 41.065 32.206 245 2HH2 ARG 31 2HH2 ARG 31 -5.250 41.807 31.980 246 H ALA 32 H ALA 32 -7.844 34.005 28.739 247 HA ALA 32 HA ALA 32 -7.454 33.748 31.718 248 1HB ALA 32 2HB ALA 32 -9.639 34.720 30.470 249 2HB ALA 32 3HB ALA 32 -9.883 33.148 29.698 250 3HB ALA 32 1HB ALA 32 -10.116 33.302 31.444 251 H GLN 33 H GLN 33 -7.674 31.347 29.101 252 HA GLN 33 HA GLN 33 -7.648 28.993 30.965 253 1HB GLN 33 1HB GLN 33 -6.511 29.245 28.116 254 2HB GLN 33 2HB GLN 33 -6.504 27.769 29.042 255 1HG GLN 33 1HG GLN 33 -9.062 29.222 28.145 256 2HG GLN 33 2HG GLN 33 -8.291 27.872 27.348 257 1HE2 GLN 33 2HE2 GLN 33 -10.764 27.027 30.460 258 2HE2 GLN 33 1HE2 GLN 33 -10.435 28.739 29.888 259 H THR 34 H THR 34 -5.470 31.539 30.522 260 HA THR 34 HA THR 34 -3.408 30.016 32.163 261 HB THR 34 HB THR 34 -1.606 31.604 31.302 262 HG1 THR 34 HG1 THR 34 -1.989 32.526 29.309 263 1HG2 THR 34 3HG2 THR 34 -2.820 29.630 29.324 264 2HG2 THR 34 1HG2 THR 34 -1.239 30.446 29.195 265 3HG2 THR 34 2HG2 THR 34 -1.551 29.330 30.545 266 H VAL 35 H VAL 35 -5.683 32.605 32.459 267 HA VAL 35 HA VAL 35 -4.040 34.570 33.476 268 HB VAL 35 HB VAL 35 -5.780 35.569 35.012 269 1HG1 VAL 35 2HG1 VAL 35 -5.116 36.526 32.868 270 2HG1 VAL 35 3HG1 VAL 35 -6.346 35.560 32.036 271 3HG1 VAL 35 1HG1 VAL 35 -6.832 36.777 33.224 272 1HG2 VAL 35 1HG2 VAL 35 -7.622 33.450 33.808 273 2HG2 VAL 35 2HG2 VAL 35 -7.471 33.997 35.478 274 3HG2 VAL 35 3HG2 VAL 35 -8.217 35.059 34.285 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.631 36.257 20.156 381 HA SER 48 HA SER 48 6.538 38.469 18.448 382 1HB SER 48 1HB SER 48 5.271 36.770 17.292 383 2HB SER 48 2HB SER 48 6.933 36.230 17.473 384 HG SER 48 HG SER 48 4.732 35.493 19.112 385 H PHE 49 H PHE 49 5.661 37.499 21.628 386 HA PHE 49 HA PHE 49 2.784 38.177 21.459 387 1HB PHE 49 1HB PHE 49 4.692 38.376 23.896 388 2HB PHE 49 2HB PHE 49 2.999 38.774 23.978 389 HD1 PHE 49 HD1 PHE 49 1.291 36.836 23.061 390 HD2 PHE 49 HD2 PHE 49 5.088 36.197 25.021 391 HE1 PHE 49 HE1 PHE 49 0.722 34.530 23.468 392 HE2 PHE 49 HE2 PHE 49 4.506 33.906 25.361 393 HZ PHE 49 HZ PHE 49 2.354 33.005 24.560 394 HA PRO 50 HA PRO 50 3.640 42.721 20.774 395 1HB PRO 50 1HB PRO 50 0.871 43.057 22.030 396 2HB PRO 50 2HB PRO 50 1.545 43.827 20.580 397 1HG PRO 50 1HG PRO 50 -0.142 41.710 20.318 398 2HG PRO 50 2HG PRO 50 1.303 41.798 19.284 399 1HD PRO 50 1HD PRO 50 0.900 40.095 21.803 400 2HD PRO 50 2HD PRO 50 1.668 39.665 20.242 401 H LYS 51 H LYS 51 2.004 42.105 23.928 402 HA LYS 51 HA LYS 51 3.916 43.997 25.361 403 1HB LYS 51 2HB LYS 51 1.436 43.980 25.798 404 2HB LYS 51 1HB LYS 51 1.582 42.349 26.464 405 1HG LYS 51 2HG LYS 51 3.264 43.205 28.149 406 2HG LYS 51 1HG LYS 51 3.147 44.822 27.466 407 1HD LYS 51 2HD LYS 51 0.747 44.994 28.114 408 2HD LYS 51 1HD LYS 51 0.734 43.321 28.675 409 1HE LYS 51 2HE LYS 51 2.397 43.876 30.491 410 2HE LYS 51 1HE LYS 51 2.499 45.545 29.912 411 1HZ LYS 51 3HZ LYS 51 0.126 45.808 30.415 412 2HZ LYS 51 1HZ LYS 51 0.027 44.251 30.958 413 3HZ LYS 51 2HZ LYS 51 0.964 45.348 31.763 414 H ARG 52 H ARG 52 5.585 43.227 26.457 415 HA ARG 52 HA ARG 52 6.048 40.193 26.807 416 1HB ARG 52 1HB ARG 52 7.853 42.370 25.605 417 2HB ARG 52 2HB ARG 52 8.536 40.944 26.351 418 1HG ARG 52 1HG ARG 52 7.634 39.424 24.792 419 2HG ARG 52 2HG ARG 52 6.372 40.494 24.240 420 1HD ARG 52 1HD ARG 52 9.361 41.120 23.705 421 2HD ARG 52 2HD ARG 52 8.439 40.033 22.701 422 HE ARG 52 HE ARG 52 6.964 41.822 21.911 423 1HH1 ARG 52 2HH1 ARG 52 9.617 43.065 23.929 424 2HH1 ARG 52 1HH1 ARG 52 9.370 44.744 23.233 425 1HH2 ARG 52 1HH2 ARG 52 6.776 43.763 21.194 426 2HH2 ARG 52 2HH2 ARG 52 7.871 45.110 21.790 427 HA PRO 53 HA PRO 53 5.782 39.064 28.640 428 1HB PRO 53 1HB PRO 53 4.955 38.721 31.263 429 2HB PRO 53 2HB PRO 53 6.587 38.377 30.696 430 1HG PRO 53 1HG PRO 53 5.598 40.884 32.134 431 2HG PRO 53 2HG PRO 53 7.053 39.920 32.487 432 1HD PRO 53 1HD PRO 53 7.141 42.250 30.971 433 2HD PRO 53 2HD PRO 53 8.260 40.891 30.660 434 H LEU 54 H LEU 54 3.619 38.549 28.412 435 HA LEU 54 HA LEU 54 1.479 40.573 28.844 436 1HB LEU 54 1HB LEU 54 -0.277 38.814 28.593 437 2HB LEU 54 2HB LEU 54 0.618 39.322 27.193 438 HG LEU 54 HG LEU 54 0.682 36.622 28.626 439 1HD1 LEU 54 1HD1 LEU 54 -0.099 37.494 25.752 440 2HD1 LEU 54 2HD1 LEU 54 -0.149 35.840 26.337 441 3HD1 LEU 54 3HD1 LEU 54 -1.241 37.043 27.038 442 1HD2 LEU 54 3HD2 LEU 54 2.576 37.547 26.383 443 2HD2 LEU 54 1HD2 LEU 54 3.017 36.864 27.966 444 3HD2 LEU 54 2HD2 LEU 54 2.247 35.835 26.760 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.866 36.850 34.800 459 HA ARG 57 HA ARG 57 -0.071 34.178 35.799 460 1HB ARG 57 1HB ARG 57 -0.172 33.061 33.572 461 2HB ARG 57 2HB ARG 57 -1.368 34.321 33.659 462 1HG ARG 57 1HG ARG 57 0.681 35.730 32.351 463 2HG ARG 57 2HG ARG 57 1.079 34.111 31.881 464 1HD ARG 57 1HD ARG 57 -0.377 34.416 30.130 465 2HD ARG 57 2HD ARG 57 -1.670 34.075 31.296 466 HE ARG 57 HE ARG 57 -0.994 36.944 31.409 467 1HH1 ARG 57 2HH1 ARG 57 -2.591 34.833 29.200 468 2HH1 ARG 57 1HH1 ARG 57 -3.355 36.328 28.420 469 1HH2 ARG 57 1HH2 ARG 57 -2.128 38.333 30.934 470 2HH2 ARG 57 2HH2 ARG 57 -3.157 38.242 29.377 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.204 19.623 903 HB THR 116 HB THR 116 -7.851 27.447 19.052 904 HG1 THR 116 HG1 THR 116 -8.706 28.283 20.910 905 1HG2 THR 116 3HG2 THR 116 -10.959 27.372 19.137 906 2HG2 THR 116 1HG2 THR 116 -9.985 28.843 18.987 907 3HG2 THR 116 2HG2 THR 116 -9.950 27.637 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.540 32.010 20.463 1268 1HN2 BDM 1 1H2 BDM 1 -5.902 29.017 22.233 1269 2HN2 BDM 1 2H2 BDM 1 -6.671 30.617 21.769 1270 1HN4 BDM 1 1H4 BDM 1 -1.846 28.086 21.296 1271 2HN4 BDM 1 2H4 BDM 1 -0.650 29.375 20.766 1272 H6 BDM 1 H6 BDM 1 -3.370 33.071 20.087 1273 1H7 BDM 1 1H7 BDM 1 -0.454 31.663 19.727 1274 2H7 BDM 1 2H7 BDM 1 -0.258 31.523 21.463 1275 H9 BDM 1 H9 BDM 1 -1.701 33.993 22.749 1276 H13 BDM 1 H13 BDM 1 0.229 33.262 18.996 1277 1H14 BDM 1 1H14 BDM 1 2.763 36.057 17.903 1278 2H14 BDM 1 2H14 BDM 1 2.509 36.224 19.672 1279 3H14 BDM 1 3H14 BDM 1 2.502 34.603 18.915 1280 1H15 BDM 1 1H15 BDM 1 -3.099 36.133 23.192 1281 2H15 BDM 1 2H15 BDM 1 -2.062 36.220 24.512 1282 1H16 BDM 1 1H16 BDM 1 -1.750 38.698 24.294 1283 2H16 BDM 1 2H16 BDM 1 -2.632 38.691 22.788 1284 1H17 BDM 1 1H17 BDM 1 -4.541 37.572 24.622 1285 2H17 BDM 1 2H17 BDM 1 -4.542 39.132 23.852 1286 H18 BDM 1 H18 BDM 1 -2.948 39.899 25.860 1287 1H19 BDM 1 1H19 BDM 1 -5.209 40.578 26.893 1288 2H19 BDM 1 2H19 BDM 1 -4.935 40.972 25.209 1289 1H20 BDM 1 1H20 BDM 1 -6.298 39.138 24.374 1290 2H20 BDM 1 2H20 BDM 1 -6.386 38.367 25.937 No H/Q in entry = 1290 Start of MODEL 17 Raw file had 1315 H/Q atoms Start of MODEL 17 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.714 24.273 25.517 24 HA LEU 4 HA LEU 4 -3.628 25.173 25.228 25 1HB LEU 4 1HB LEU 4 -2.706 26.367 27.047 26 2HB LEU 4 2HB LEU 4 -1.088 26.455 26.378 27 HG LEU 4 HG LEU 4 -1.817 28.366 24.897 28 1HD1 LEU 4 2HD1 LEU 4 -4.269 27.956 24.942 29 2HD1 LEU 4 3HD1 LEU 4 -4.334 28.415 26.663 30 3HD1 LEU 4 1HD1 LEU 4 -3.886 29.616 25.427 31 1HD2 LEU 4 3HD2 LEU 4 -0.963 28.785 27.716 32 2HD2 LEU 4 1HD2 LEU 4 -0.816 29.864 26.414 33 3HD2 LEU 4 2HD2 LEU 4 -2.165 30.026 27.344 34 H TRP 5 H TRP 5 -3.953 24.972 22.988 35 HA TRP 5 HA TRP 5 -2.344 26.774 21.266 36 1HB TRP 5 1HB TRP 5 -1.261 25.415 19.819 37 2HB TRP 5 2HB TRP 5 -1.067 24.531 21.297 38 HD1 TRP 5 HD1 TRP 5 -2.338 24.195 17.779 39 HE1 TRP 5 HE1 TRP 5 -3.138 21.744 17.253 40 HE3 TRP 5 HE3 TRP 5 -2.463 22.596 22.608 41 HZ2 TRP 5 HZ2 TRP 5 -3.591 19.457 18.880 42 HZ3 TRP 5 HZ3 TRP 5 -3.024 20.238 23.070 43 HH2 TRP 5 HH2 TRP 5 -3.559 18.677 21.227 44 H ALA 6 H ALA 6 -2.926 26.770 18.980 45 HA ALA 6 HA ALA 6 -5.870 26.289 18.396 46 1HB ALA 6 3HB ALA 6 -4.433 29.014 17.981 47 2HB ALA 6 1HB ALA 6 -6.066 28.612 17.388 48 3HB ALA 6 2HB ALA 6 -5.744 28.671 19.131 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.236 32.467 14.069 136 1HB LEU 19 1HB LEU 19 -1.155 35.206 14.569 137 2HB LEU 19 2HB LEU 19 -2.059 33.731 14.405 138 HG LEU 19 HG LEU 19 0.081 33.999 16.639 139 1HD1 LEU 19 1HD1 LEU 19 -2.834 35.001 16.652 140 2HD1 LEU 19 2HD1 LEU 19 -1.976 34.563 18.120 141 3HD1 LEU 19 3HD1 LEU 19 -1.327 35.858 17.114 142 1HD2 LEU 19 2HD2 LEU 19 -0.871 31.654 16.145 143 2HD2 LEU 19 3HD2 LEU 19 -1.369 32.251 17.745 144 3HD2 LEU 19 1HD2 LEU 19 -2.518 32.286 16.395 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.295 34.168 19.525 193 HA ASP 26 HA ASP 26 -9.832 32.037 21.583 194 1HB ASP 26 1HB ASP 26 -9.934 31.600 19.092 195 2HB ASP 26 2HB ASP 26 -8.590 32.700 18.813 196 H LEU 27 H LEU 27 -8.262 34.959 20.716 197 HA LEU 27 HA LEU 27 -6.024 34.496 22.691 198 1HB LEU 27 1HB LEU 27 -6.732 36.779 20.731 199 2HB LEU 27 2HB LEU 27 -5.573 36.968 22.013 200 HG LEU 27 HG LEU 27 -4.565 34.613 21.068 201 1HD1 LEU 27 3HD1 LEU 27 -5.711 35.784 18.451 202 2HD1 LEU 27 1HD1 LEU 27 -4.503 34.489 18.596 203 3HD1 LEU 27 2HD1 LEU 27 -6.146 34.207 19.168 204 1HD2 LEU 27 3HD2 LEU 27 -3.423 36.695 21.428 205 2HD2 LEU 27 1HD2 LEU 27 -2.907 35.872 19.944 206 3HD2 LEU 27 2HD2 LEU 27 -3.931 37.350 19.876 207 H HIS 28 H HIS 28 -9.169 36.161 22.730 208 HA HIS 28 HA HIS 28 -8.873 37.128 25.527 209 1HB HIS 28 1HB HIS 28 -11.441 36.056 24.183 210 2HB HIS 28 2HB HIS 28 -11.367 36.993 25.660 211 HD1 HIS 28 HD1 HIS 28 -9.264 39.363 24.452 212 HD2 HIS 28 HD2 HIS 28 -12.852 37.740 22.687 213 HE1 HIS 28 HE1 HIS 28 -10.127 40.922 22.697 214 HE2 HIS 28 HE2 HIS 28 -12.331 40.121 21.559 215 H TYR 29 H TYR 29 -9.779 33.871 24.201 216 HA TYR 29 HA TYR 29 -9.885 32.651 26.963 217 1HB TYR 29 1HB TYR 29 -11.370 31.849 25.105 218 2HB TYR 29 2HB TYR 29 -10.072 31.737 23.962 219 HD1 TYR 29 HD1 TYR 29 -8.384 29.848 24.056 220 HD2 TYR 29 HD2 TYR 29 -12.028 29.846 26.351 221 HE1 TYR 29 HE1 TYR 29 -8.319 27.396 24.174 222 HE2 TYR 29 HE2 TYR 29 -11.959 27.392 26.442 223 HH TYR 29 HH TYR 29 -10.868 25.549 25.844 224 H PHE 30 H PHE 30 -7.260 33.245 24.624 225 HA PHE 30 HA PHE 30 -5.311 31.467 25.994 226 1HB PHE 30 1HB PHE 30 -4.851 32.569 23.740 227 2HB PHE 30 2HB PHE 30 -4.678 34.104 24.542 228 HD1 PHE 30 HD2 PHE 30 -2.805 34.039 26.686 229 HD2 PHE 30 HD1 PHE 30 -2.906 31.338 23.355 230 HE1 PHE 30 HE2 PHE 30 -0.530 33.357 27.158 231 HE2 PHE 30 HE1 PHE 30 -0.502 30.894 23.657 232 HZ PHE 30 HZ PHE 30 0.693 31.900 25.573 233 H ARG 31 H ARG 31 -6.197 34.929 26.362 234 HA ARG 31 HA ARG 31 -4.639 35.834 28.557 235 1HB ARG 31 1HB ARG 31 -6.163 37.186 27.264 236 2HB ARG 31 2HB ARG 31 -7.568 36.256 27.766 237 1HG ARG 31 1HG ARG 31 -7.444 37.097 30.065 238 2HG ARG 31 2HG ARG 31 -5.859 37.811 29.801 239 1HD ARG 31 1HD ARG 31 -6.846 39.475 28.157 240 2HD ARG 31 2HD ARG 31 -8.419 38.716 28.327 241 HE ARG 31 HE ARG 31 -8.780 39.773 30.447 242 1HH1 ARG 31 2HH1 ARG 31 -5.419 40.359 29.447 243 2HH1 ARG 31 1HH1 ARG 31 -5.244 41.635 30.754 244 1HH2 ARG 31 1HH2 ARG 31 -8.467 41.237 31.891 245 2HH2 ARG 31 2HH2 ARG 31 -6.852 42.096 32.042 246 H ALA 32 H ALA 32 -7.682 33.981 28.748 247 HA ALA 32 HA ALA 32 -7.401 33.973 31.791 248 1HB ALA 32 2HB ALA 32 -9.528 34.997 30.495 249 2HB ALA 32 3HB ALA 32 -9.802 33.426 29.733 250 3HB ALA 32 1HB ALA 32 -10.056 33.600 31.474 251 H GLN 33 H GLN 33 -7.765 31.564 29.162 252 HA GLN 33 HA GLN 33 -7.761 29.220 31.027 253 1HB GLN 33 1HB GLN 33 -6.658 29.411 28.162 254 2HB GLN 33 2HB GLN 33 -6.656 27.950 29.107 255 1HG GLN 33 1HG GLN 33 -9.230 29.425 28.287 256 2HG GLN 33 2HG GLN 33 -8.482 28.096 27.433 257 1HE2 GLN 33 2HE2 GLN 33 -10.847 27.159 30.597 258 2HE2 GLN 33 1HE2 GLN 33 -10.556 28.885 30.049 259 H THR 34 H THR 34 -5.444 31.665 30.333 260 HA THR 34 HA THR 34 -3.624 30.247 32.290 261 HB THR 34 HB THR 34 -1.573 31.351 31.294 262 HG1 THR 34 HG1 THR 34 -1.693 31.946 29.142 263 1HG2 THR 34 2HG2 THR 34 -2.057 28.954 30.952 264 2HG2 THR 34 3HG2 THR 34 -2.875 29.339 29.411 265 3HG2 THR 34 1HG2 THR 34 -1.142 29.706 29.642 266 H VAL 35 H VAL 35 -5.793 32.624 32.538 267 HA VAL 35 HA VAL 35 -4.134 34.723 33.585 268 HB VAL 35 HB VAL 35 -5.816 35.392 35.339 269 1HG1 VAL 35 2HG1 VAL 35 -5.354 36.661 33.248 270 2HG1 VAL 35 3HG1 VAL 35 -6.759 35.877 32.492 271 3HG1 VAL 35 1HG1 VAL 35 -6.972 36.870 33.933 272 1HG2 VAL 35 1HG2 VAL 35 -7.786 33.587 33.836 273 2HG2 VAL 35 2HG2 VAL 35 -7.356 33.525 35.551 274 3HG2 VAL 35 3HG2 VAL 35 -8.229 34.920 34.919 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.601 36.261 20.182 381 HA SER 48 HA SER 48 6.509 38.484 18.480 382 1HB SER 48 1HB SER 48 5.248 36.788 17.312 383 2HB SER 48 2HB SER 48 6.913 36.255 17.487 384 HG SER 48 HG SER 48 4.717 35.494 19.123 385 H PHE 49 H PHE 49 5.618 37.500 21.661 386 HA PHE 49 HA PHE 49 2.730 38.144 21.467 387 1HB PHE 49 1HB PHE 49 4.584 38.367 23.931 388 2HB PHE 49 2HB PHE 49 2.880 38.721 23.975 389 HD1 PHE 49 HD1 PHE 49 1.194 36.733 23.114 390 HD2 PHE 49 HD2 PHE 49 5.068 36.184 24.977 391 HE1 PHE 49 HE1 PHE 49 0.729 34.401 23.495 392 HE2 PHE 49 HE2 PHE 49 4.557 33.879 25.300 393 HZ PHE 49 HZ PHE 49 2.401 32.930 24.549 394 HA PRO 50 HA PRO 50 3.523 42.680 20.743 395 1HB PRO 50 1HB PRO 50 0.745 42.989 21.988 396 2HB PRO 50 2HB PRO 50 1.414 43.761 20.535 397 1HG PRO 50 1HG PRO 50 -0.238 41.616 20.277 398 2HG PRO 50 2HG PRO 50 1.214 41.718 19.253 399 1HD PRO 50 1HD PRO 50 0.816 40.028 21.781 400 2HD PRO 50 2HD PRO 50 1.604 39.598 20.230 401 H LYS 51 H LYS 51 1.905 42.074 23.905 402 HA LYS 51 HA LYS 51 3.799 44.005 25.311 403 1HB LYS 51 2HB LYS 51 1.319 43.960 25.764 404 2HB LYS 51 1HB LYS 51 1.495 42.340 26.448 405 1HG LYS 51 2HG LYS 51 3.183 43.245 28.107 406 2HG LYS 51 1HG LYS 51 3.028 44.851 27.405 407 1HD LYS 51 2HD LYS 51 0.630 44.983 28.075 408 2HD LYS 51 1HD LYS 51 0.657 43.318 28.659 409 1HE LYS 51 2HE LYS 51 2.332 43.935 30.447 410 2HE LYS 51 1HE LYS 51 2.384 45.599 29.847 411 1HZ LYS 51 3HZ LYS 51 0.011 45.806 30.376 412 2HZ LYS 51 1HZ LYS 51 -0.041 44.254 30.938 413 3HZ LYS 51 2HZ LYS 51 0.876 45.385 31.719 414 H ARG 52 H ARG 52 5.489 43.256 26.392 415 HA ARG 52 HA ARG 52 5.976 40.228 26.760 416 1HB ARG 52 1HB ARG 52 7.752 42.417 25.544 417 2HB ARG 52 2HB ARG 52 8.465 41.029 26.331 418 1HG ARG 52 1HG ARG 52 7.631 39.448 24.803 419 2HG ARG 52 2HG ARG 52 6.333 40.458 24.221 420 1HD ARG 52 1HD ARG 52 9.298 41.186 23.681 421 2HD ARG 52 2HD ARG 52 8.430 40.030 22.706 422 HE ARG 52 HE ARG 52 6.889 41.730 21.849 423 1HH1 ARG 52 2HH1 ARG 52 9.464 43.148 23.854 424 2HH1 ARG 52 1HH1 ARG 52 9.151 44.793 23.104 425 1HH2 ARG 52 1HH2 ARG 52 6.625 43.638 21.071 426 2HH2 ARG 52 2HH2 ARG 52 7.653 45.049 21.637 427 HA PRO 53 HA PRO 53 5.726 39.088 28.586 428 1HB PRO 53 1HB PRO 53 4.893 38.726 31.204 429 2HB PRO 53 2HB PRO 53 6.533 38.408 30.641 430 1HG PRO 53 1HG PRO 53 5.501 40.896 32.082 431 2HG PRO 53 2HG PRO 53 6.968 39.952 32.440 432 1HD PRO 53 1HD PRO 53 7.032 42.286 30.929 433 2HD PRO 53 2HD PRO 53 8.169 40.943 30.618 434 H LEU 54 H LEU 54 3.574 38.511 28.401 435 HA LEU 54 HA LEU 54 1.368 40.471 28.777 436 1HB LEU 54 1HB LEU 54 -0.309 38.561 28.696 437 2HB LEU 54 2HB LEU 54 0.471 39.101 27.243 438 HG LEU 54 HG LEU 54 0.845 36.469 28.746 439 1HD1 LEU 54 1HD1 LEU 54 -0.202 37.182 25.903 440 2HD1 LEU 54 2HD1 LEU 54 0.009 35.534 26.499 441 3HD1 LEU 54 3HD1 LEU 54 -1.158 36.601 27.280 442 1HD2 LEU 54 3HD2 LEU 54 2.530 37.511 26.375 443 2HD2 LEU 54 1HD2 LEU 54 3.119 36.863 27.923 444 3HD2 LEU 54 2HD2 LEU 54 2.366 35.780 26.760 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.868 36.850 34.805 459 HA ARG 57 HA ARG 57 -0.088 34.168 35.785 460 1HB ARG 57 1HB ARG 57 -0.252 33.089 33.580 461 2HB ARG 57 2HB ARG 57 -1.301 34.482 33.553 462 1HG ARG 57 1HG ARG 57 0.914 35.630 32.333 463 2HG ARG 57 2HG ARG 57 1.228 33.960 31.963 464 1HD ARG 57 1HD ARG 57 -0.006 34.545 30.053 465 2HD ARG 57 2HD ARG 57 -1.326 33.914 31.055 466 HE ARG 57 HE ARG 57 -0.901 36.827 31.540 467 1HH1 ARG 57 2HH1 ARG 57 -2.383 34.884 29.056 468 2HH1 ARG 57 1HH1 ARG 57 -3.593 36.285 28.867 469 1HH2 ARG 57 1HH2 ARG 57 -2.333 38.060 31.413 470 2HH2 ARG 57 2HH2 ARG 57 -3.443 37.928 29.898 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.963 25.207 19.623 903 HB THR 116 HB THR 116 -7.840 27.436 19.057 904 HG1 THR 116 HG1 THR 116 -8.696 28.277 20.916 905 1HG2 THR 116 2HG2 THR 116 -10.948 27.395 19.140 906 2HG2 THR 116 3HG2 THR 116 -9.953 28.854 18.985 907 3HG2 THR 116 1HG2 THR 116 -9.937 27.644 17.697 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.485 31.938 20.514 1268 1HN2 BDM 1 1H2 BDM 1 -6.583 30.510 21.756 1269 2HN2 BDM 1 2H2 BDM 1 -5.799 28.910 22.193 1270 1HN4 BDM 1 1H4 BDM 1 -1.754 28.021 21.192 1271 2HN4 BDM 1 2H4 BDM 1 -0.568 29.318 20.663 1272 H6 BDM 1 H6 BDM 1 -3.317 33.020 20.087 1273 1H7 BDM 1 1H7 BDM 1 -0.414 31.650 19.621 1274 2H7 BDM 1 2H7 BDM 1 -0.148 31.417 21.338 1275 H9 BDM 1 H9 BDM 1 -1.660 33.741 22.765 1276 H13 BDM 1 H13 BDM 1 0.322 33.335 19.008 1277 1H14 BDM 1 1H14 BDM 1 2.735 36.167 17.982 1278 2H14 BDM 1 2H14 BDM 1 2.581 36.136 19.771 1279 3H14 BDM 1 3H14 BDM 1 2.459 34.620 18.831 1280 1H15 BDM 1 1H15 BDM 1 -3.249 35.656 23.552 1281 2H15 BDM 1 2H15 BDM 1 -1.883 35.641 24.576 1282 1H16 BDM 1 1H16 BDM 1 -1.879 38.230 24.590 1283 2H16 BDM 1 2H16 BDM 1 -3.368 38.199 23.663 1284 1H17 BDM 1 1H17 BDM 1 -3.126 36.917 26.457 1285 2H17 BDM 1 2H17 BDM 1 -4.602 37.182 25.575 1286 H18 BDM 1 H18 BDM 1 -3.059 39.735 25.946 1287 1H19 BDM 1 1H19 BDM 1 -5.921 38.838 26.609 1288 2H19 BDM 1 2H19 BDM 1 -5.375 40.507 26.494 1289 1H20 BDM 1 1H20 BDM 1 -4.933 40.218 24.028 1290 2H20 BDM 1 2H20 BDM 1 -5.326 38.509 24.135 No H/Q in entry = 1290 Start of MODEL 18 Raw file had 1315 H/Q atoms Start of MODEL 18 1 1H THR 1 1H THR 1 -1.035 19.227 34.060 2 2H THR 1 2H THR 1 -0.733 17.904 33.067 3 HA THR 1 HA THR 1 0.422 20.637 32.844 4 HB THR 1 HB THR 1 1.169 17.965 31.771 5 HG1 THR 1 HG1 THR 1 2.522 19.927 33.578 6 1HG2 THR 1 3HG2 THR 1 2.772 20.643 31.523 7 2HG2 THR 1 1HG2 THR 1 3.412 19.048 31.062 8 3HG2 THR 1 2HG2 THR 1 2.068 19.767 30.144 9 H ALA 2 H ALA 2 -0.713 21.670 31.373 10 HA ALA 2 HA ALA 2 -2.288 20.029 29.428 11 1HB ALA 2 2HB ALA 2 -3.580 21.515 30.812 12 2HB ALA 2 3HB ALA 2 -2.630 22.909 30.244 13 3HB ALA 2 1HB ALA 2 -3.667 22.015 29.106 14 H PHE 3 H PHE 3 -2.041 20.450 27.037 15 HA PHE 3 HA PHE 3 0.006 22.577 26.137 16 1HB PHE 3 1HB PHE 3 -1.552 20.214 25.012 17 2HB PHE 3 2HB PHE 3 -0.912 21.451 23.958 18 HD1 PHE 3 HD1 PHE 3 1.560 20.863 26.874 19 HD2 PHE 3 HD2 PHE 3 0.378 19.470 23.136 20 HE1 PHE 3 HE1 PHE 3 3.627 19.655 26.485 21 HE2 PHE 3 HE2 PHE 3 2.241 18.234 22.687 22 HZ PHE 3 HZ PHE 3 4.195 18.335 24.415 23 H LEU 4 H LEU 4 -0.712 24.269 25.511 24 HA LEU 4 HA LEU 4 -3.626 25.165 25.219 25 1HB LEU 4 1HB LEU 4 -2.683 26.350 27.039 26 2HB LEU 4 2HB LEU 4 -1.078 26.460 26.349 27 HG LEU 4 HG LEU 4 -1.886 28.358 24.860 28 1HD1 LEU 4 1HD1 LEU 4 -4.325 27.897 24.995 29 2HD1 LEU 4 2HD1 LEU 4 -4.337 28.342 26.722 30 3HD1 LEU 4 3HD1 LEU 4 -3.966 29.562 25.480 31 1HD2 LEU 4 3HD2 LEU 4 -1.004 28.785 27.700 32 2HD2 LEU 4 1HD2 LEU 4 -0.808 29.829 26.380 33 3HD2 LEU 4 2HD2 LEU 4 -2.166 30.053 27.249 34 H TRP 5 H TRP 5 -3.944 24.940 22.979 35 HA TRP 5 HA TRP 5 -2.343 26.748 21.258 36 1HB TRP 5 1HB TRP 5 -1.263 25.398 19.802 37 2HB TRP 5 2HB TRP 5 -1.059 24.515 21.279 38 HD1 TRP 5 HD1 TRP 5 -2.343 24.175 17.768 39 HE1 TRP 5 HE1 TRP 5 -3.148 21.724 17.249 40 HE3 TRP 5 HE3 TRP 5 -2.453 22.582 22.600 41 HZ2 TRP 5 HZ2 TRP 5 -3.596 19.441 18.880 42 HZ3 TRP 5 HZ3 TRP 5 -3.016 20.226 23.067 43 HH2 TRP 5 HH2 TRP 5 -3.558 18.664 21.228 44 H ALA 6 H ALA 6 -2.931 26.775 18.983 45 HA ALA 6 HA ALA 6 -5.870 26.272 18.395 46 1HB ALA 6 3HB ALA 6 -4.461 29.009 17.979 47 2HB ALA 6 1HB ALA 6 -6.087 28.587 17.382 48 3HB ALA 6 2HB ALA 6 -5.773 28.654 19.126 49 H GLN 7 H GLN 7 -6.147 25.507 16.198 50 HA GLN 7 HA GLN 7 -3.758 25.702 14.300 51 1HB GLN 7 1HB GLN 7 -3.675 23.389 13.917 52 2HB GLN 7 2HB GLN 7 -3.399 23.668 15.620 53 1HG GLN 7 1HG GLN 7 -5.736 22.988 16.183 54 2HG GLN 7 2HG GLN 7 -6.150 22.879 14.460 55 1HE2 GLN 7 1HE2 GLN 7 -6.415 20.872 13.922 56 2HE2 GLN 7 2HE2 GLN 7 -5.117 19.655 14.046 57 H ASP 8 H ASP 8 -4.394 25.457 12.284 58 HA ASP 8 HA ASP 8 -7.315 25.874 11.370 59 1HB ASP 8 2HB ASP 8 -6.564 26.070 9.230 60 2HB ASP 8 1HB ASP 8 -5.130 26.663 10.139 61 H ARG 9 H ARG 9 -7.786 24.377 9.522 62 HA ARG 9 HA ARG 9 -8.425 22.077 10.747 63 1HB ARG 9 1HB ARG 9 -9.806 21.420 8.816 64 2HB ARG 9 2HB ARG 9 -9.771 23.194 8.920 65 1HG ARG 9 1HG ARG 9 -8.549 23.396 6.994 66 2HG ARG 9 2HG ARG 9 -7.670 21.901 7.261 67 1HD ARG 9 1HD ARG 9 -9.575 20.517 6.197 68 2HD ARG 9 2HD ARG 9 -10.798 21.417 7.015 69 HE ARG 9 HE ARG 9 -8.860 22.814 5.589 70 1HH1 ARG 9 2HH1 ARG 9 -11.330 24.595 5.621 71 2HH1 ARG 9 1HH1 ARG 9 -11.205 25.099 3.914 72 1HH2 ARG 9 1HH2 ARG 9 -9.077 22.338 2.841 73 2HH2 ARG 9 2HH2 ARG 9 -9.931 23.823 2.340 74 H ASP 10 H ASP 10 -5.620 22.593 8.849 75 HA ASP 10 HA ASP 10 -5.015 19.678 8.422 76 1HB ASP 10 2HB ASP 10 -3.724 22.209 7.386 77 2HB ASP 10 1HB ASP 10 -3.092 20.551 7.097 78 H GLY 11 H GLY 11 -4.659 21.989 11.003 79 1HA GLY 11 1HA GLY 11 -3.314 21.370 12.871 80 2HA GLY 11 2HA GLY 11 -2.194 20.502 11.751 81 H LEU 12 H LEU 12 -2.818 23.398 10.275 82 HA LEU 12 HA LEU 12 -0.114 24.104 10.880 83 1HB LEU 12 1HB LEU 12 -1.264 24.803 8.831 84 2HB LEU 12 2HB LEU 12 -2.344 25.865 9.817 85 HG LEU 12 HG LEU 12 0.005 27.261 10.255 86 1HD1 LEU 12 3HD1 LEU 12 0.433 25.403 7.882 87 2HD1 LEU 12 1HD1 LEU 12 1.535 26.697 8.408 88 3HD1 LEU 12 2HD1 LEU 12 1.250 25.289 9.459 89 1HD2 LEU 12 1HD2 LEU 12 -1.520 27.149 7.680 90 2HD2 LEU 12 2HD2 LEU 12 -1.916 28.127 9.113 91 3HD2 LEU 12 3HD2 LEU 12 -0.418 28.443 8.206 92 H ILE 13 H ILE 13 0.868 25.598 12.499 93 HA ILE 13 HA ILE 13 -1.147 27.021 13.971 94 HB ILE 13 HB ILE 13 0.321 26.792 16.133 95 1HG1 ILE 13 1HG1 ILE 13 2.130 25.039 14.441 96 2HG1 ILE 13 2HG1 ILE 13 2.472 26.747 14.812 97 1HG2 ILE 13 2HG2 ILE 13 -1.498 25.132 15.606 98 2HG2 ILE 13 3HG2 ILE 13 -0.336 24.140 14.694 99 3HG2 ILE 13 1HG2 ILE 13 -0.148 24.339 16.453 100 1HD1 ILE 13 1HD1 ILE 13 2.032 24.526 16.893 101 2HD1 ILE 13 2HD1 ILE 13 3.606 25.233 16.457 102 3HD1 ILE 13 3HD1 ILE 13 2.374 26.233 17.264 103 H GLY 14 H GLY 14 1.638 27.441 12.021 104 1HA GLY 14 1HA GLY 14 1.686 30.275 13.083 105 2HA GLY 14 2HA GLY 14 3.182 29.376 13.315 106 H LYS 15 H LYS 15 3.259 31.739 11.787 107 HA LYS 15 HA LYS 15 4.130 30.716 9.183 108 1HB LYS 15 1HB LYS 15 1.747 31.601 8.825 109 2HB LYS 15 2HB LYS 15 2.397 33.190 9.376 110 1HG LYS 15 1HG LYS 15 3.940 33.177 7.409 111 2HG LYS 15 2HG LYS 15 3.253 31.675 6.870 112 1HD LYS 15 1HD LYS 15 1.023 32.746 6.690 113 2HD LYS 15 2HD LYS 15 1.784 34.314 7.185 114 1HE LYS 15 1HE LYS 15 1.182 34.450 4.971 115 2HE LYS 15 2HE LYS 15 2.977 34.305 5.083 116 1HZ LYS 15 1HZ LYS 15 1.111 32.162 4.144 117 2HZ LYS 15 2HZ LYS 15 2.093 33.106 3.158 118 3HZ LYS 15 3HZ LYS 15 2.784 32.028 4.248 119 H ASP 16 H ASP 16 6.212 31.645 9.292 120 HA ASP 16 HA ASP 16 7.865 33.111 9.317 121 1HB ASP 16 1HB ASP 16 5.727 35.261 8.626 122 2HB ASP 16 2HB ASP 16 7.503 35.550 8.523 123 H GLY 17 H GLY 17 6.877 32.316 11.871 124 1HA GLY 17 1HA GLY 17 7.420 32.941 14.128 125 2HA GLY 17 2HA GLY 17 7.969 34.550 13.548 126 H HIS 18 H HIS 18 4.737 33.819 12.529 127 HA HIS 18 HA HIS 18 3.737 35.203 15.002 128 1HB HIS 18 1HB HIS 18 2.321 36.743 13.544 129 2HB HIS 18 2HB HIS 18 4.084 37.139 13.613 130 HD1 HIS 18 HD1 HIS 18 1.239 36.007 11.084 131 HD2 HIS 18 HD2 HIS 18 5.319 37.390 11.172 132 HE1 HIS 18 HE1 HIS 18 2.028 36.129 8.553 133 HE2 HIS 18 HE2 HIS 18 4.406 37.149 8.459 134 H LEU 19 H LEU 19 1.129 35.231 14.375 135 HA LEU 19 HA LEU 19 0.245 32.466 14.058 136 1HB LEU 19 1HB LEU 19 -1.140 35.189 14.622 137 2HB LEU 19 2HB LEU 19 -2.047 33.717 14.433 138 HG LEU 19 HG LEU 19 0.138 33.941 16.643 139 1HD1 LEU 19 3HD1 LEU 19 -2.771 34.931 16.674 140 2HD1 LEU 19 1HD1 LEU 19 -1.964 34.349 18.120 141 3HD1 LEU 19 2HD1 LEU 19 -1.267 35.721 17.253 142 1HD2 LEU 19 3HD2 LEU 19 -0.757 31.584 16.071 143 2HD2 LEU 19 1HD2 LEU 19 -1.248 32.111 17.696 144 3HD2 LEU 19 2HD2 LEU 19 -2.417 32.162 16.362 145 HA PRO 20 HA PRO 20 -0.513 33.181 9.797 146 1HB PRO 20 1HB PRO 20 -2.761 31.043 9.927 147 2HB PRO 20 2HB PRO 20 -1.458 31.132 8.759 148 1HG PRO 20 1HG PRO 20 -1.162 29.344 10.652 149 2HG PRO 20 2HG PRO 20 0.202 30.555 10.556 150 1HD PRO 20 1HD PRO 20 -2.198 30.635 12.420 151 2HD PRO 20 2HD PRO 20 -0.517 30.422 12.852 152 H TRP 21 H TRP 21 -2.982 33.739 12.149 153 HA TRP 21 HA TRP 21 -4.959 34.840 10.322 154 1HB TRP 21 1HB TRP 21 -6.882 33.783 11.548 155 2HB TRP 21 2HB TRP 21 -5.875 32.520 10.717 156 HD1 TRP 21 HD1 TRP 21 -6.137 33.781 14.633 157 HE1 TRP 21 HE1 TRP 21 -5.002 31.920 15.926 158 HE3 TRP 21 HE3 TRP 21 -4.903 30.540 10.588 159 HZ2 TRP 21 HZ2 TRP 21 -3.727 29.487 15.500 160 HZ3 TRP 21 HZ3 TRP 21 -3.947 28.314 11.304 161 HH2 TRP 21 HH2 TRP 21 -3.508 27.795 13.644 162 H HIS 22 H HIS 22 -6.627 35.849 11.964 163 HA HIS 22 HA HIS 22 -5.542 36.856 14.594 164 1HB HIS 22 1HB HIS 22 -4.930 38.801 12.899 165 2HB HIS 22 2HB HIS 22 -6.708 38.864 12.486 166 HD1 HIS 22 HD1 HIS 22 -4.840 38.720 15.849 167 HD2 HIS 22 HD2 HIS 22 -8.017 40.619 13.804 168 HE1 HIS 22 HE1 HIS 22 -5.866 40.458 17.526 169 HE2 HIS 22 HE2 HIS 22 -7.570 41.809 16.012 170 H LEU 23 H LEU 23 -6.723 36.237 15.778 171 HA LEU 23 HA LEU 23 -9.616 36.179 15.442 172 1HB LEU 23 1HB LEU 23 -8.998 33.849 14.695 173 2HB LEU 23 2HB LEU 23 -8.279 33.574 16.331 174 HG LEU 23 HG LEU 23 -10.442 33.659 17.266 175 1HD1 LEU 23 3HD1 LEU 23 -11.348 33.977 14.408 176 2HD1 LEU 23 1HD1 LEU 23 -12.387 33.678 15.821 177 3HD1 LEU 23 2HD1 LEU 23 -11.467 35.196 15.698 178 1HD2 LEU 23 2HD2 LEU 23 -9.143 31.664 16.660 179 2HD2 LEU 23 3HD2 LEU 23 -10.886 31.380 16.438 180 3HD2 LEU 23 1HD2 LEU 23 -9.847 31.679 15.025 181 HA PRO 24 HA PRO 24 -8.698 37.958 19.310 182 1HB PRO 24 1HB PRO 24 -11.625 39.033 18.519 183 2HB PRO 24 2HB PRO 24 -10.557 39.800 19.649 184 1HG PRO 24 1HG PRO 24 -10.116 40.768 17.334 185 2HG PRO 24 2HG PRO 24 -8.722 39.830 17.805 186 1HD PRO 24 1HD PRO 24 -11.220 38.622 16.330 187 2HD PRO 24 2HD PRO 24 -9.657 38.843 15.588 188 H ASP 25 H ASP 25 -11.899 36.252 18.619 189 HA ASP 25 HA ASP 25 -12.671 36.091 21.139 190 1HB ASP 25 1HB ASP 25 -13.582 35.383 18.943 191 2HB ASP 25 2HB ASP 25 -12.596 33.933 19.046 192 H ASP 26 H ASP 26 -10.274 34.198 19.533 193 HA ASP 26 HA ASP 26 -9.802 32.079 21.608 194 1HB ASP 26 1HB ASP 26 -9.976 31.592 19.125 195 2HB ASP 26 2HB ASP 26 -8.633 32.675 18.790 196 H LEU 27 H LEU 27 -8.193 34.966 20.608 197 HA LEU 27 HA LEU 27 -5.899 34.452 22.502 198 1HB LEU 27 1HB LEU 27 -6.518 36.747 20.537 199 2HB LEU 27 2HB LEU 27 -5.294 36.861 21.779 200 HG LEU 27 HG LEU 27 -4.389 34.560 20.918 201 1HD1 LEU 27 2HD1 LEU 27 -5.831 35.387 18.302 202 2HD1 LEU 27 3HD1 LEU 27 -4.553 34.163 18.428 203 3HD1 LEU 27 1HD1 LEU 27 -6.099 33.877 19.215 204 1HD2 LEU 27 2HD2 LEU 27 -3.266 36.796 20.762 205 2HD2 LEU 27 3HD2 LEU 27 -2.794 35.558 19.621 206 3HD2 LEU 27 1HD2 LEU 27 -3.834 36.912 19.081 207 H HIS 28 H HIS 28 -8.935 36.274 22.585 208 HA HIS 28 HA HIS 28 -8.516 37.271 25.365 209 1HB HIS 28 1HB HIS 28 -11.153 36.597 23.922 210 2HB HIS 28 2HB HIS 28 -11.052 37.311 25.516 211 HD1 HIS 28 HD1 HIS 28 -9.233 39.895 25.432 212 HD2 HIS 28 HD2 HIS 28 -11.641 38.457 22.117 213 HE1 HIS 28 HE1 HIS 28 -9.749 41.755 23.902 214 HE2 HIS 28 HE2 HIS 28 -11.176 41.092 21.835 215 H TYR 29 H TYR 29 -9.674 34.082 24.115 216 HA TYR 29 HA TYR 29 -9.892 32.965 26.918 217 1HB TYR 29 1HB TYR 29 -11.431 32.216 25.091 218 2HB TYR 29 2HB TYR 29 -10.149 31.975 23.950 219 HD1 TYR 29 HD1 TYR 29 -8.608 29.979 24.081 220 HD2 TYR 29 HD2 TYR 29 -12.203 30.308 26.433 221 HE1 TYR 29 HE1 TYR 29 -8.697 27.535 24.307 222 HE2 TYR 29 HE2 TYR 29 -12.290 27.860 26.626 223 HH TYR 29 HH TYR 29 -9.801 25.795 25.122 224 H PHE 30 H PHE 30 -7.255 33.232 24.528 225 HA PHE 30 HA PHE 30 -5.403 31.373 25.889 226 1HB PHE 30 1HB PHE 30 -4.912 32.415 23.641 227 2HB PHE 30 2HB PHE 30 -4.730 33.969 24.394 228 HD1 PHE 30 HD2 PHE 30 -2.781 34.131 26.358 229 HD2 PHE 30 HD1 PHE 30 -3.022 31.023 23.414 230 HE1 PHE 30 HE2 PHE 30 -0.471 33.483 26.822 231 HE2 PHE 30 HE1 PHE 30 -0.610 30.618 23.649 232 HZ PHE 30 HZ PHE 30 0.661 31.821 25.393 233 H ARG 31 H ARG 31 -6.077 34.881 26.316 234 HA ARG 31 HA ARG 31 -4.386 35.626 28.489 235 1HB ARG 31 1HB ARG 31 -5.876 37.110 27.229 236 2HB ARG 31 2HB ARG 31 -7.311 36.328 27.877 237 1HG ARG 31 1HG ARG 31 -6.802 37.128 30.172 238 2HG ARG 31 2HG ARG 31 -5.239 37.760 29.660 239 1HD ARG 31 1HD ARG 31 -6.397 39.445 28.158 240 2HD ARG 31 2HD ARG 31 -7.957 38.776 28.590 241 HE ARG 31 HE ARG 31 -7.903 39.882 30.724 242 1HH1 ARG 31 2HH1 ARG 31 -4.760 40.319 29.117 243 2HH1 ARG 31 1HH1 ARG 31 -4.321 41.635 30.318 244 1HH2 ARG 31 1HH2 ARG 31 -7.296 41.386 32.026 245 2HH2 ARG 31 2HH2 ARG 31 -5.659 42.196 31.851 246 H ALA 32 H ALA 32 -7.637 34.155 28.721 247 HA ALA 32 HA ALA 32 -7.299 34.089 31.744 248 1HB ALA 32 2HB ALA 32 -9.376 35.216 30.456 249 2HB ALA 32 3HB ALA 32 -9.748 33.654 29.717 250 3HB ALA 32 1HB ALA 32 -9.975 33.866 31.457 251 H GLN 33 H GLN 33 -7.763 31.678 29.159 252 HA GLN 33 HA GLN 33 -7.907 29.338 31.010 253 1HB GLN 33 1HB GLN 33 -6.700 29.554 28.186 254 2HB GLN 33 2HB GLN 33 -6.717 28.073 29.104 255 1HG GLN 33 1HG GLN 33 -9.268 29.563 28.243 256 2HG GLN 33 2HG GLN 33 -8.503 28.236 27.400 257 1HE2 GLN 33 2HE2 GLN 33 -10.965 27.289 30.483 258 2HE2 GLN 33 1HE2 GLN 33 -10.661 29.015 29.941 259 H THR 34 H THR 34 -5.433 31.669 30.337 260 HA THR 34 HA THR 34 -3.593 30.115 32.211 261 HB THR 34 HB THR 34 -1.629 31.428 31.305 262 HG1 THR 34 HG1 THR 34 -1.855 32.275 29.253 263 1HG2 THR 34 2HG2 THR 34 -1.930 29.088 30.674 264 2HG2 THR 34 3HG2 THR 34 -2.953 29.570 29.288 265 3HG2 THR 34 1HG2 THR 34 -1.245 30.087 29.381 266 H VAL 35 H VAL 35 -5.713 32.783 32.433 267 HA VAL 35 HA VAL 35 -3.984 34.674 33.556 268 HB VAL 35 HB VAL 35 -5.652 35.620 35.170 269 1HG1 VAL 35 2HG1 VAL 35 -4.990 36.681 33.037 270 2HG1 VAL 35 3HG1 VAL 35 -6.399 35.945 32.246 271 3HG1 VAL 35 1HG1 VAL 35 -6.626 37.064 33.589 272 1HG2 VAL 35 1HG2 VAL 35 -7.674 33.779 33.798 273 2HG2 VAL 35 2HG2 VAL 35 -7.374 34.009 35.522 274 3HG2 VAL 35 3HG2 VAL 35 -8.104 35.312 34.586 275 H GLY 36 H GLY 36 -2.697 34.287 35.853 276 1HA GLY 36 1HA GLY 36 -2.462 33.261 37.890 277 2HA GLY 36 2HA GLY 36 -3.952 32.300 37.526 278 H LYS 37 H LYS 37 -1.836 31.454 35.074 279 HA LYS 37 HA LYS 37 -1.129 28.924 36.772 280 1HB LYS 37 1HB LYS 37 -1.743 29.585 33.772 281 2HB LYS 37 2HB LYS 37 -1.253 27.993 34.346 282 1HG LYS 37 1HG LYS 37 -3.106 28.196 36.098 283 2HG LYS 37 2HG LYS 37 -3.660 29.620 35.237 284 1HD LYS 37 1HD LYS 37 -4.085 28.405 33.290 285 2HD LYS 37 2HD LYS 37 -3.260 26.957 33.961 286 1HE LYS 37 1HE LYS 37 -5.626 26.631 33.880 287 2HE LYS 37 2HE LYS 37 -5.009 26.698 35.599 288 1HZ LYS 37 1HZ LYS 37 -6.753 28.510 34.289 289 2HZ LYS 37 2HZ LYS 37 -7.147 27.286 35.372 290 3HZ LYS 37 3HZ LYS 37 -6.186 28.572 35.871 291 H ILE 38 H ILE 38 0.870 27.906 35.786 292 HA ILE 38 HA ILE 38 2.989 29.884 35.152 293 HB ILE 38 HB ILE 38 3.056 26.827 35.702 294 1HG1 ILE 38 1HG1 ILE 38 3.908 29.157 37.514 295 2HG1 ILE 38 2HG1 ILE 38 2.309 28.431 37.589 296 1HG2 ILE 38 3HG2 ILE 38 5.316 28.815 35.184 297 2HG2 ILE 38 1HG2 ILE 38 5.513 27.114 35.668 298 3HG2 ILE 38 2HG2 ILE 38 4.801 27.512 34.087 299 1HD1 ILE 38 1HD1 ILE 38 4.943 26.917 37.655 300 2HD1 ILE 38 2HD1 ILE 38 3.891 27.225 39.056 301 3HD1 ILE 38 3HD1 ILE 38 3.324 26.182 37.730 302 H MET 39 H MET 39 3.031 30.459 33.113 303 HA MET 39 HA MET 39 1.923 28.758 31.211 304 1HB MET 39 1HB MET 39 0.958 30.938 31.312 305 2HB MET 39 2HB MET 39 2.521 31.706 31.022 306 1HG MET 39 1HG MET 39 2.550 30.343 28.627 307 2HG MET 39 2HG MET 39 0.778 30.124 28.906 308 1HE MET 39 1HE MET 39 3.608 32.893 28.253 309 2HE MET 39 2HE MET 39 2.604 34.352 28.425 310 3HE MET 39 3HE MET 39 2.996 33.367 29.855 311 H VAL 40 H VAL 40 3.695 27.480 29.881 312 HA VAL 40 HA VAL 40 6.408 28.673 29.729 313 HB VAL 40 HB VAL 40 5.360 25.955 29.089 314 1HG1 VAL 40 2HG1 VAL 40 7.492 26.391 28.088 315 2HG1 VAL 40 3HG1 VAL 40 8.153 26.841 29.678 316 3HG1 VAL 40 1HG1 VAL 40 7.605 25.174 29.382 317 1HG2 VAL 40 2HG2 VAL 40 5.016 26.584 31.588 318 2HG2 VAL 40 3HG2 VAL 40 6.207 25.272 31.422 319 3HG2 VAL 40 1HG2 VAL 40 6.755 26.939 31.717 320 H VAL 41 H VAL 41 7.115 29.542 28.025 321 HA VAL 41 HA VAL 41 6.029 28.604 25.382 322 HB VAL 41 HB VAL 41 6.253 31.131 24.500 323 1HG1 VAL 41 3HG1 VAL 41 4.266 30.451 26.696 324 2HG1 VAL 41 1HG1 VAL 41 4.091 31.736 25.477 325 3HG1 VAL 41 2HG1 VAL 41 4.118 30.029 24.973 326 1HG2 VAL 41 1HG2 VAL 41 6.263 31.560 27.577 327 2HG2 VAL 41 2HG2 VAL 41 7.634 31.979 26.523 328 3HG2 VAL 41 3HG2 VAL 41 6.088 32.845 26.358 329 H GLY 42 H GLY 42 7.548 28.615 23.775 330 1HA GLY 42 1HA GLY 42 10.457 28.661 24.300 331 2HA GLY 42 2HA GLY 42 9.644 28.558 22.677 332 H ARG 43 H ARG 43 11.962 30.023 23.406 333 HA ARG 43 HA ARG 43 11.515 32.647 24.164 334 1HB ARG 43 1HB ARG 43 13.662 31.612 24.142 335 2HB ARG 43 2HB ARG 43 13.638 31.507 22.380 336 1HG ARG 43 1HG ARG 43 13.166 34.171 23.658 337 2HG ARG 43 2HG ARG 43 14.848 33.501 23.660 338 1HD ARG 43 1HD ARG 43 13.181 34.531 21.461 339 2HD ARG 43 2HD ARG 43 14.712 35.105 22.050 340 HE ARG 43 HE ARG 43 15.411 32.491 21.208 341 1HH1 ARG 43 2HH1 ARG 43 13.691 35.205 19.684 342 2HH1 ARG 43 1HH1 ARG 43 13.784 34.553 18.026 343 1HH2 ARG 43 1HH2 ARG 43 15.935 31.787 19.135 344 2HH2 ARG 43 2HH2 ARG 43 15.145 32.479 17.693 345 H ARG 44 H ARG 44 11.522 31.113 20.764 346 HA ARG 44 HA ARG 44 11.067 33.750 19.419 347 1HB ARG 44 1HB ARG 44 11.908 31.451 18.837 348 2HB ARG 44 2HB ARG 44 10.186 30.904 18.843 349 1HG ARG 44 1HG ARG 44 9.753 32.051 16.768 350 2HG ARG 44 2HG ARG 44 11.233 32.966 16.853 351 1HD ARG 44 1HD ARG 44 11.738 30.253 17.602 352 2HD ARG 44 2HD ARG 44 10.839 30.310 16.000 353 HE ARG 44 HE ARG 44 13.290 31.436 15.865 354 1HH1 ARG 44 2HH1 ARG 44 11.381 28.259 15.331 355 2HH1 ARG 44 1HH1 ARG 44 12.858 27.434 14.765 356 1HH2 ARG 44 1HH2 ARG 44 15.075 30.376 15.627 357 2HH2 ARG 44 2HH2 ARG 44 15.099 28.726 14.948 358 H THR 45 H THR 45 8.586 31.439 20.632 359 HA THR 45 HA THR 45 6.214 33.133 19.854 360 HB THR 45 HB THR 45 6.513 31.018 22.167 361 HG1 THR 45 HG1 THR 45 5.534 30.950 19.424 362 1HG2 THR 45 3HG2 THR 45 3.992 32.296 21.066 363 2HG2 THR 45 1HG2 THR 45 4.068 30.902 22.170 364 3HG2 THR 45 2HG2 THR 45 4.640 32.498 22.711 365 H TYR 46 H TYR 46 8.314 32.953 23.051 366 HA TYR 46 HA TYR 46 6.628 34.940 24.157 367 1HB TYR 46 1HB TYR 46 8.571 33.703 25.244 368 2HB TYR 46 2HB TYR 46 9.702 34.731 24.292 369 HD1 TYR 46 HD1 TYR 46 6.862 34.911 26.697 370 HD2 TYR 46 HD2 TYR 46 10.654 36.748 25.313 371 HE1 TYR 46 HE1 TYR 46 6.857 36.447 28.717 372 HE2 TYR 46 HE2 TYR 46 10.319 38.464 27.204 373 HH TYR 46 HH TYR 46 9.186 39.243 28.867 374 H GLU 47 H GLU 47 9.500 35.580 21.930 375 HA GLU 47 HA GLU 47 9.468 38.421 22.192 376 1HB GLU 47 1HB GLU 47 10.547 36.454 20.083 377 2HB GLU 47 2HB GLU 47 10.710 38.176 19.839 378 1HG GLU 47 1HG GLU 47 11.518 38.395 22.328 379 2HG GLU 47 2HG GLU 47 11.506 36.635 22.434 380 H SER 48 H SER 48 7.573 36.267 20.204 381 HA SER 48 HA SER 48 6.494 38.490 18.495 382 1HB SER 48 1HB SER 48 5.211 36.801 17.342 383 2HB SER 48 2HB SER 48 6.871 36.254 17.511 384 HG SER 48 HG SER 48 4.677 35.520 19.162 385 H PHE 49 H PHE 49 5.573 37.489 21.685 386 HA PHE 49 HA PHE 49 2.688 38.141 21.481 387 1HB PHE 49 1HB PHE 49 4.516 38.355 23.954 388 2HB PHE 49 2HB PHE 49 2.810 38.696 23.982 389 HD1 PHE 49 HD1 PHE 49 1.091 36.688 23.184 390 HD2 PHE 49 HD2 PHE 49 5.061 36.150 24.873 391 HE1 PHE 49 HE1 PHE 49 0.615 34.448 23.626 392 HE2 PHE 49 HE2 PHE 49 4.559 33.844 25.209 393 HZ PHE 49 HZ PHE 49 2.357 32.916 24.581 394 HA PRO 50 HA PRO 50 3.380 42.680 20.788 395 1HB PRO 50 1HB PRO 50 0.632 42.933 22.110 396 2HB PRO 50 2HB PRO 50 1.249 43.730 20.648 397 1HG PRO 50 1HG PRO 50 -0.373 41.560 20.412 398 2HG PRO 50 2HG PRO 50 1.050 41.695 19.352 399 1HD PRO 50 1HD PRO 50 0.745 39.976 21.873 400 2HD PRO 50 2HD PRO 50 1.500 39.573 20.298 401 H LYS 51 H LYS 51 1.853 42.038 23.988 402 HA LYS 51 HA LYS 51 3.776 43.976 25.350 403 1HB LYS 51 2HB LYS 51 1.313 43.969 25.849 404 2HB LYS 51 1HB LYS 51 1.466 42.342 26.521 405 1HG LYS 51 2HG LYS 51 3.171 43.189 28.176 406 2HG LYS 51 1HG LYS 51 3.079 44.802 27.477 407 1HD LYS 51 2HD LYS 51 0.697 45.038 28.156 408 2HD LYS 51 1HD LYS 51 0.644 43.369 28.721 409 1HE LYS 51 2HE LYS 51 2.351 43.889 30.515 410 2HE LYS 51 1HE LYS 51 2.469 45.557 29.937 411 1HZ LYS 51 3HZ LYS 51 0.106 45.851 30.471 412 2HZ LYS 51 1HZ LYS 51 -0.007 44.294 31.013 413 3HZ LYS 51 2HZ LYS 51 0.955 45.378 31.807 414 H ARG 52 H ARG 52 5.453 43.233 26.459 415 HA ARG 52 HA ARG 52 5.952 40.206 26.817 416 1HB ARG 52 1HB ARG 52 7.709 42.386 25.554 417 2HB ARG 52 2HB ARG 52 8.432 40.997 26.331 418 1HG ARG 52 1HG ARG 52 7.546 39.414 24.828 419 2HG ARG 52 2HG ARG 52 6.257 40.441 24.256 420 1HD ARG 52 1HD ARG 52 9.227 41.125 23.680 421 2HD ARG 52 2HD ARG 52 8.333 39.974 22.724 422 HE ARG 52 HE ARG 52 6.809 41.685 21.867 423 1HH1 ARG 52 2HH1 ARG 52 9.409 43.089 23.848 424 2HH1 ARG 52 1HH1 ARG 52 9.098 44.736 23.100 425 1HH2 ARG 52 1HH2 ARG 52 6.548 43.594 21.091 426 2HH2 ARG 52 2HH2 ARG 52 7.588 44.999 21.647 427 HA PRO 53 HA PRO 53 5.756 39.073 28.657 428 1HB PRO 53 1HB PRO 53 4.956 38.740 31.291 429 2HB PRO 53 2HB PRO 53 6.585 38.410 30.707 430 1HG PRO 53 1HG PRO 53 5.586 40.917 32.138 431 2HG PRO 53 2HG PRO 53 7.057 39.974 32.479 432 1HD PRO 53 1HD PRO 53 7.101 42.292 30.946 433 2HD PRO 53 2HD PRO 53 8.227 40.942 30.625 434 H LEU 54 H LEU 54 3.612 38.531 28.424 435 HA LEU 54 HA LEU 54 1.428 40.512 28.812 436 1HB LEU 54 1HB LEU 54 -0.277 38.689 28.564 437 2HB LEU 54 2HB LEU 54 0.621 39.214 27.172 438 HG LEU 54 HG LEU 54 0.772 36.535 28.637 439 1HD1 LEU 54 3HD1 LEU 54 -0.084 37.375 25.760 440 2HD1 LEU 54 1HD1 LEU 54 -0.013 35.702 26.297 441 3HD1 LEU 54 2HD1 LEU 54 -1.126 36.818 27.089 442 1HD2 LEU 54 2HD2 LEU 54 2.643 37.528 26.389 443 2HD2 LEU 54 3HD2 LEU 54 3.107 36.857 27.967 444 3HD2 LEU 54 1HD2 LEU 54 2.384 35.803 26.757 445 HA PRO 55 HA PRO 55 1.400 40.083 33.158 446 1HB PRO 55 1HB PRO 55 -0.929 41.465 33.829 447 2HB PRO 55 2HB PRO 55 0.279 42.289 32.854 448 1HG PRO 55 1HG PRO 55 -1.998 40.538 31.645 449 2HG PRO 55 2HG PRO 55 -1.972 42.271 31.589 450 1HD PRO 55 1HD PRO 55 -0.586 41.274 29.650 451 2HD PRO 55 2HD PRO 55 0.438 42.213 30.716 452 H GLU 56 H GLU 56 0.265 39.579 35.257 453 HA GLU 56 HA GLU 56 -0.984 38.545 36.575 454 1HB GLU 56 1HB GLU 56 -3.089 38.591 34.453 455 2HB GLU 56 2HB GLU 56 -3.399 37.693 35.976 456 1HG GLU 56 1HG GLU 56 -3.288 39.871 37.347 457 2HG GLU 56 2HG GLU 56 -2.774 40.808 35.874 458 H ARG 57 H ARG 57 0.867 36.850 34.802 459 HA ARG 57 HA ARG 57 -0.080 34.171 35.790 460 1HB ARG 57 1HB ARG 57 -0.179 33.083 33.547 461 2HB ARG 57 2HB ARG 57 -1.347 34.371 33.613 462 1HG ARG 57 1HG ARG 57 0.759 35.748 32.372 463 2HG ARG 57 2HG ARG 57 1.149 34.124 31.908 464 1HD ARG 57 1HD ARG 57 -0.220 34.515 30.105 465 2HD ARG 57 2HD ARG 57 -1.546 34.091 31.200 466 HE ARG 57 HE ARG 57 -0.934 36.981 31.439 467 1HH1 ARG 57 2HH1 ARG 57 -2.420 34.873 29.128 468 2HH1 ARG 57 1HH1 ARG 57 -3.255 36.401 28.440 469 1HH2 ARG 57 1HH2 ARG 57 -2.102 38.361 30.937 470 2HH2 ARG 57 2HH2 ARG 57 -3.071 38.295 29.376 471 H THR 58 H THR 58 1.908 32.789 35.541 472 HA THR 58 HA THR 58 4.361 34.382 35.670 473 HB THR 58 HB THR 58 4.216 31.209 36.280 474 HG1 THR 58 HG1 THR 58 3.818 33.763 37.600 475 1HG2 THR 58 3HG2 THR 58 6.195 33.347 36.708 476 2HG2 THR 58 1HG2 THR 58 6.182 31.723 37.436 477 3HG2 THR 58 2HG2 THR 58 6.363 31.907 35.676 478 H ASN 59 H ASN 59 5.498 34.760 33.810 479 HA ASN 59 HA ASN 59 5.055 32.901 31.281 480 1HB ASN 59 1HB ASN 59 6.635 35.409 31.921 481 2HB ASN 59 2HB ASN 59 6.483 34.663 30.360 482 1HD2 ASN 59 2HD2 ASN 59 2.938 36.538 31.432 483 2HD2 ASN 59 1HD2 ASN 59 3.732 35.655 32.763 484 H VAL 60 H VAL 60 6.342 31.107 31.476 485 HA VAL 60 HA VAL 60 9.258 31.520 32.379 486 HB VAL 60 HB VAL 60 7.366 29.321 31.699 487 1HG1 VAL 60 2HG1 VAL 60 9.821 28.719 31.127 488 2HG1 VAL 60 3HG1 VAL 60 10.270 29.009 32.825 489 3HG1 VAL 60 1HG1 VAL 60 9.209 27.643 32.406 490 1HG2 VAL 60 2HG2 VAL 60 6.739 30.262 33.899 491 2HG2 VAL 60 3HG2 VAL 60 7.309 28.592 34.124 492 3HG2 VAL 60 1HG2 VAL 60 8.370 29.958 34.542 493 H VAL 61 H VAL 61 10.608 31.772 30.754 494 HA VAL 61 HA VAL 61 9.874 31.187 27.874 495 HB VAL 61 HB VAL 61 12.030 33.133 28.999 496 1HG1 VAL 61 3HG1 VAL 61 10.832 32.479 26.310 497 2HG1 VAL 61 1HG1 VAL 61 12.044 33.737 26.650 498 3HG1 VAL 61 2HG1 VAL 61 12.452 32.021 26.885 499 1HG2 VAL 61 1HG2 VAL 61 9.191 33.558 28.169 500 2HG2 VAL 61 2HG2 VAL 61 9.867 33.722 29.807 501 3HG2 VAL 61 3HG2 VAL 61 10.403 34.816 28.509 502 H LEU 62 H LEU 62 10.944 29.539 27.070 503 HA LEU 62 HA LEU 62 13.178 28.406 28.560 504 1HB LEU 62 1HB LEU 62 11.648 27.046 26.261 505 2HB LEU 62 2HB LEU 62 13.261 26.460 26.785 506 HG LEU 62 HG LEU 62 10.952 26.386 28.868 507 1HD1 LEU 62 3HD1 LEU 62 12.278 24.431 26.825 508 2HD1 LEU 62 1HD1 LEU 62 11.557 23.922 28.370 509 3HD1 LEU 62 2HD1 LEU 62 10.522 24.571 27.077 510 1HD2 LEU 62 1HD2 LEU 62 13.856 25.381 27.874 511 2HD2 LEU 62 2HD2 LEU 62 13.665 26.556 29.197 512 3HD2 LEU 62 3HD2 LEU 62 13.135 24.871 29.419 513 H THR 63 H THR 63 15.502 28.834 27.505 514 HA THR 63 HA THR 63 15.473 29.541 24.705 515 HB THR 63 HB THR 63 15.325 31.887 25.526 516 HG1 THR 63 HG1 THR 63 17.557 32.499 24.876 517 1HG2 THR 63 3HG2 THR 63 17.385 31.085 27.672 518 2HG2 THR 63 1HG2 THR 63 16.702 32.713 27.447 519 3HG2 THR 63 2HG2 THR 63 15.651 31.369 27.953 520 H HIS 64 H HIS 64 17.973 28.892 23.815 521 HA HIS 64 HA HIS 64 19.572 27.502 25.977 522 1HB HIS 64 1HB HIS 64 19.759 27.977 22.870 523 2HB HIS 64 2HB HIS 64 21.045 27.110 23.803 524 HD1 HIS 64 HD1 HIS 64 19.493 25.095 25.356 525 HD2 HIS 64 HD2 HIS 64 18.410 26.759 21.633 526 HE1 HIS 64 HE1 HIS 64 18.155 23.122 24.163 527 HE2 HIS 64 HE2 HIS 64 17.224 24.362 22.071 528 H GLN 65 H GLN 65 19.082 30.661 24.883 529 HA GLN 65 HA GLN 65 21.864 31.400 24.634 530 1HB GLN 65 1HB GLN 65 19.830 33.359 25.350 531 2HB GLN 65 2HB GLN 65 21.394 33.610 24.651 532 1HG GLN 65 1HG GLN 65 20.639 32.330 22.516 533 2HG GLN 65 2HG GLN 65 18.992 32.211 23.235 534 1HE2 GLN 65 2HE2 GLN 65 17.652 34.618 21.721 535 2HE2 GLN 65 1HE2 GLN 65 18.107 32.893 21.693 536 H GLU 66 H GLU 66 23.109 31.007 26.877 537 HA GLU 66 HA GLU 66 22.074 31.014 29.347 538 1HB GLU 66 1HB GLU 66 24.757 31.212 28.091 539 2HB GLU 66 2HB GLU 66 24.749 31.674 29.774 540 1HG GLU 66 1HG GLU 66 22.905 29.603 30.094 541 2HG GLU 66 2HG GLU 66 23.629 28.994 28.553 542 H ASP 67 H ASP 67 23.103 33.984 27.683 543 HA ASP 67 HA ASP 67 23.093 35.990 29.663 544 1HB ASP 67 1HB ASP 67 22.307 35.795 26.343 545 2HB ASP 67 2HB ASP 67 23.047 37.292 27.038 546 H TYR 68 H TYR 68 20.207 34.477 28.118 547 HA TYR 68 HA TYR 68 19.123 36.860 26.750 548 1HB TYR 68 1HB TYR 68 18.497 34.367 26.428 549 2HB TYR 68 2HB TYR 68 17.759 34.383 28.018 550 HD1 TYR 68 HD1 TYR 68 17.848 35.732 24.683 551 HD2 TYR 68 HD2 TYR 68 15.250 34.995 28.003 552 HE1 TYR 68 HE1 TYR 68 16.042 37.085 23.482 553 HE2 TYR 68 HE2 TYR 68 13.368 36.101 26.850 554 HH TYR 68 HH TYR 68 13.619 38.150 24.274 555 H GLN 69 H GLN 69 17.916 38.439 27.475 556 HA GLN 69 HA GLN 69 17.070 38.457 30.349 557 1HB GLN 69 1HB GLN 69 17.548 40.822 28.410 558 2HB GLN 69 2HB GLN 69 17.233 40.933 30.179 559 1HG GLN 69 1HG GLN 69 19.792 39.550 29.285 560 2HG GLN 69 2HG GLN 69 19.722 41.334 29.134 561 1HE2 GLN 69 2HE2 GLN 69 20.933 39.618 32.663 562 2HE2 GLN 69 1HE2 GLN 69 21.106 38.965 31.012 563 H ALA 70 H ALA 70 15.240 38.581 30.906 564 HA ALA 70 HA ALA 70 13.128 39.853 29.233 565 1HB ALA 70 3HB ALA 70 12.896 36.864 29.976 566 2HB ALA 70 1HB ALA 70 11.590 37.862 29.295 567 3HB ALA 70 2HB ALA 70 13.042 37.515 28.326 568 H GLN 71 H GLN 71 13.148 41.439 30.936 569 HA GLN 71 HA GLN 71 13.207 40.945 33.643 570 1HB GLN 71 1HB GLN 71 12.085 43.321 32.028 571 2HB GLN 71 2HB GLN 71 12.052 43.322 33.785 572 1HG GLN 71 1HG GLN 71 14.470 42.752 33.863 573 2HG GLN 71 2HG GLN 71 14.522 42.640 32.107 574 1HE2 GLN 71 2HE2 GLN 71 15.138 46.285 33.357 575 2HE2 GLN 71 1HE2 GLN 71 15.965 44.728 33.629 576 H GLY 72 H GLY 72 11.646 40.265 35.145 577 1HA GLY 72 1HA GLY 72 9.450 40.101 35.943 578 2HA GLY 72 2HA GLY 72 8.850 40.772 34.453 579 H ALA 73 H ALA 73 10.814 38.238 33.286 580 HA ALA 73 HA ALA 73 8.561 36.108 33.292 581 1HB ALA 73 3HB ALA 73 10.982 36.630 31.443 582 2HB ALA 73 1HB ALA 73 9.801 35.312 31.249 583 3HB ALA 73 2HB ALA 73 9.294 37.003 31.018 584 H VAL 74 H VAL 74 9.664 33.799 33.446 585 HA VAL 74 HA VAL 74 12.007 33.613 35.260 586 HB VAL 74 HB VAL 74 9.941 31.712 34.381 587 1HG1 VAL 74 2HG1 VAL 74 12.137 30.796 35.061 588 2HG1 VAL 74 3HG1 VAL 74 11.918 31.468 36.694 589 3HG1 VAL 74 1HG1 VAL 74 10.836 30.183 36.109 590 1HG2 VAL 74 2HG2 VAL 74 8.762 33.351 35.688 591 2HG2 VAL 74 3HG2 VAL 74 8.761 31.759 36.483 592 3HG2 VAL 74 1HG2 VAL 74 9.843 33.045 37.069 593 H VAL 75 H VAL 75 13.661 33.480 33.964 594 HA VAL 75 HA VAL 75 13.390 32.397 31.242 595 HB VAL 75 HB VAL 75 15.712 33.892 32.412 596 1HG1 VAL 75 2HG1 VAL 75 16.587 32.303 30.821 597 2HG1 VAL 75 3HG1 VAL 75 15.514 32.959 29.562 598 3HG1 VAL 75 1HG1 VAL 75 16.796 33.978 30.258 599 1HG2 VAL 75 2HG2 VAL 75 13.626 35.140 32.119 600 2HG2 VAL 75 3HG2 VAL 75 14.912 35.790 31.074 601 3HG2 VAL 75 1HG2 VAL 75 13.630 34.770 30.378 602 H VAL 76 H VAL 76 13.894 29.973 31.194 603 HA VAL 76 HA VAL 76 16.217 29.011 32.730 604 HB VAL 76 HB VAL 76 15.030 26.915 33.136 605 1HG1 VAL 76 3HG1 VAL 76 13.565 29.363 34.055 606 2HG1 VAL 76 1HG1 VAL 76 13.502 27.744 34.792 607 3HG1 VAL 76 2HG1 VAL 76 15.028 28.660 34.785 608 1HG2 VAL 76 1HG2 VAL 76 12.581 28.471 32.015 609 2HG2 VAL 76 2HG2 VAL 76 13.339 27.088 31.191 610 3HG2 VAL 76 3HG2 VAL 76 12.518 26.853 32.752 611 H HIS 77 H HIS 77 16.694 26.828 31.881 612 HA HIS 77 HA HIS 77 16.897 27.265 29.062 613 1HB HIS 77 1HB HIS 77 19.495 26.427 30.580 614 2HB HIS 77 2HB HIS 77 19.401 26.879 28.843 615 HD1 HIS 77 HD1 HIS 77 18.676 29.583 28.568 616 HD2 HIS 77 HD2 HIS 77 19.562 28.375 32.398 617 HE1 HIS 77 HE1 HIS 77 19.356 31.807 29.752 618 HE2 HIS 77 HE2 HIS 77 19.981 30.857 32.236 619 H ASP 78 H ASP 78 15.815 24.997 31.033 620 HA ASP 78 HA ASP 78 16.183 22.798 28.827 621 1HB ASP 78 1HB ASP 78 17.373 21.475 30.089 622 2HB ASP 78 2HB ASP 78 18.207 23.111 29.971 623 H VAL 79 H VAL 79 14.647 21.013 29.480 624 HA VAL 79 HA VAL 79 12.210 21.962 30.494 625 HB VAL 79 HB VAL 79 13.309 19.115 29.652 626 1HG1 VAL 79 3HG1 VAL 79 10.610 19.883 30.508 627 2HG1 VAL 79 1HG1 VAL 79 11.101 18.407 29.643 628 3HG1 VAL 79 2HG1 VAL 79 11.710 18.719 31.285 629 1HG2 VAL 79 1HG2 VAL 79 11.228 21.150 28.698 630 2HG2 VAL 79 2HG2 VAL 79 12.873 21.015 28.031 631 3HG2 VAL 79 3HG2 VAL 79 11.719 19.675 27.832 632 H ALA 80 H ALA 80 14.889 20.225 32.205 633 HA ALA 80 HA ALA 80 13.607 19.195 34.626 634 1HB ALA 80 3HB ALA 80 16.459 20.070 34.001 635 2HB ALA 80 1HB ALA 80 15.932 19.198 35.460 636 3HB ALA 80 2HB ALA 80 15.819 18.415 33.866 637 H ALA 81 H ALA 81 15.091 22.475 33.606 638 HA ALA 81 HA ALA 81 14.612 23.551 36.259 639 1HB ALA 81 2HB ALA 81 16.143 24.443 34.561 640 2HB ALA 81 3HB ALA 81 14.758 24.908 33.545 641 3HB ALA 81 1HB ALA 81 15.013 25.700 35.118 642 H VAL 82 H VAL 82 12.432 23.202 33.496 643 HA VAL 82 HA VAL 82 10.731 25.184 34.448 644 HB VAL 82 HB VAL 82 10.206 22.956 32.404 645 1HG1 VAL 82 2HG1 VAL 82 8.079 23.551 33.689 646 2HG1 VAL 82 3HG1 VAL 82 8.355 25.271 33.326 647 3HG1 VAL 82 1HG1 VAL 82 7.972 24.134 32.011 648 1HG2 VAL 82 2HG2 VAL 82 11.715 24.663 31.670 649 2HG2 VAL 82 3HG2 VAL 82 10.168 24.796 30.800 650 3HG2 VAL 82 1HG2 VAL 82 10.551 25.933 32.114 651 H PHE 83 H PHE 83 10.852 21.581 34.615 652 HA PHE 83 HA PHE 83 8.522 21.306 36.325 653 1HB PHE 83 1HB PHE 83 10.900 19.603 35.609 654 2HB PHE 83 2HB PHE 83 9.741 19.071 36.861 655 HD1 PHE 83 HD1 PHE 83 7.115 19.569 35.993 656 HD2 PHE 83 HD2 PHE 83 10.708 18.803 33.780 657 HE1 PHE 83 HE1 PHE 83 5.589 18.748 34.068 658 HE2 PHE 83 HE2 PHE 83 9.289 18.078 31.706 659 HZ PHE 83 HZ PHE 83 6.910 18.061 31.985 660 H ALA 84 H ALA 84 12.050 21.652 37.156 661 HA ALA 84 HA ALA 84 11.910 21.503 40.084 662 1HB ALA 84 3HB ALA 84 13.517 23.483 38.335 663 2HB ALA 84 1HB ALA 84 13.817 23.172 40.062 664 3HB ALA 84 2HB ALA 84 14.106 21.888 38.863 665 H TYR 85 H TYR 85 11.128 24.357 37.795 666 HA TYR 85 HA TYR 85 10.661 26.187 39.899 667 1HB TYR 85 1HB TYR 85 11.179 26.900 37.653 668 2HB TYR 85 2HB TYR 85 9.708 26.146 37.024 669 HD1 TYR 85 HD1 TYR 85 11.051 28.951 39.008 670 HD2 TYR 85 HD2 TYR 85 7.349 27.407 37.371 671 HE1 TYR 85 HE1 TYR 85 9.821 30.880 39.897 672 HE2 TYR 85 HE2 TYR 85 6.176 29.428 38.251 673 HH TYR 85 HH TYR 85 7.910 32.303 39.396 674 H ALA 86 H ALA 86 8.451 24.232 37.793 675 HA ALA 86 HA ALA 86 6.062 24.850 38.907 676 1HB ALA 86 2HB ALA 86 6.270 23.601 36.776 677 2HB ALA 86 3HB ALA 86 6.761 22.136 37.658 678 3HB ALA 86 1HB ALA 86 5.114 22.782 37.853 679 H LYS 87 H LYS 87 8.270 22.265 40.060 680 HA LYS 87 HA LYS 87 6.684 21.182 42.002 681 1HB LYS 87 1HB LYS 87 9.578 21.002 41.636 682 2HB LYS 87 2HB LYS 87 9.107 21.013 43.325 683 1HG LYS 87 1HG LYS 87 7.746 19.045 43.103 684 2HG LYS 87 2HG LYS 87 7.711 19.190 41.311 685 1HD LYS 87 1HD LYS 87 9.148 17.165 42.282 686 2HD LYS 87 2HD LYS 87 10.023 18.233 41.130 687 1HE LYS 87 1HE LYS 87 11.636 18.600 42.810 688 2HE LYS 87 2HE LYS 87 10.417 19.506 43.703 689 1HZ LYS 87 1HZ LYS 87 10.896 16.486 44.025 690 2HZ LYS 87 2HZ LYS 87 11.366 17.640 45.155 691 3HZ LYS 87 3HZ LYS 87 9.733 17.351 44.877 692 H GLN 88 H GLN 88 8.769 24.129 42.132 693 HA GLN 88 HA GLN 88 8.419 24.291 44.777 694 1HB GLN 88 1HB GLN 88 10.236 25.131 43.402 695 2HB GLN 88 2HB GLN 88 9.258 26.683 43.253 696 1HG GLN 88 1HG GLN 88 9.999 26.487 45.795 697 2HG GLN 88 2HG GLN 88 11.420 25.922 44.807 698 1HE2 GLN 88 2HE2 GLN 88 12.653 28.963 43.881 699 2HE2 GLN 88 1HE2 GLN 88 12.570 27.188 43.725 700 H HIS 89 H HIS 89 6.396 25.009 42.639 701 HA HIS 89 HA HIS 89 5.521 25.700 42.128 702 1HB HIS 89 1HB HIS 89 4.577 27.383 40.905 703 2HB HIS 89 2HB HIS 89 3.816 28.136 42.320 704 HD1 HIS 89 HD1 HIS 89 4.963 30.128 43.135 705 HD2 HIS 89 HD2 HIS 89 7.772 27.676 41.369 706 HE1 HIS 89 HE1 HIS 89 7.274 31.224 43.415 707 HE2 HIS 89 HE2 HIS 89 8.995 29.804 42.200 708 HA PRO 90 HA PRO 90 2.932 23.108 42.922 709 1HB PRO 90 1HB PRO 90 1.813 22.532 45.311 710 2HB PRO 90 2HB PRO 90 3.546 22.759 45.160 711 1HG PRO 90 2HG PRO 90 1.441 24.855 45.946 712 2HG PRO 90 1HG PRO 90 2.919 24.437 46.811 713 1HD PRO 90 2HD PRO 90 2.795 26.539 45.090 714 2HD PRO 90 1HD PRO 90 4.292 25.577 45.327 715 H ASP 91 H ASP 91 1.065 25.561 43.871 716 HA ASP 91 HA ASP 91 -1.776 24.735 43.789 717 1HB ASP 91 1HB ASP 91 -1.867 26.833 45.293 718 2HB ASP 91 2HB ASP 91 -0.596 25.801 45.936 719 H GLN 92 H GLN 92 0.916 25.975 41.614 720 HA GLN 92 HA GLN 92 -1.281 27.372 39.793 721 1HB GLN 92 1HB GLN 92 1.734 27.515 39.899 722 2HB GLN 92 2HB GLN 92 0.741 28.181 38.607 723 1HG GLN 92 1HG GLN 92 -0.699 29.434 40.497 724 2HG GLN 92 2HG GLN 92 0.517 28.938 41.660 725 1HE2 GLN 92 1HE2 GLN 92 -0.103 31.104 38.828 726 2HE2 GLN 92 2HE2 GLN 92 1.607 31.511 38.521 727 H GLU 93 H GLU 93 -1.867 26.227 38.160 728 HA GLU 93 HA GLU 93 -0.853 23.531 37.418 729 1HB GLU 93 1HB GLU 93 -2.901 25.418 36.681 730 2HB GLU 93 2HB GLU 93 -2.443 24.085 35.528 731 1HG GLU 93 1HG GLU 93 -3.532 22.447 36.859 732 2HG GLU 93 2HG GLU 93 -3.593 23.487 38.282 733 H LEU 94 H LEU 94 0.358 22.959 35.600 734 HA LEU 94 HA LEU 94 1.878 25.194 34.204 735 1HB LEU 94 1HB LEU 94 2.758 23.089 35.438 736 2HB LEU 94 2HB LEU 94 1.932 22.184 34.092 737 HG LEU 94 HG LEU 94 3.239 22.949 32.703 738 1HD1 LEU 94 2HD1 LEU 94 3.743 25.240 33.770 739 2HD1 LEU 94 3HD1 LEU 94 4.911 24.470 34.869 740 3HD1 LEU 94 1HD1 LEU 94 5.236 24.523 33.120 741 1HD2 LEU 94 2HD2 LEU 94 4.165 20.906 33.715 742 2HD2 LEU 94 3HD2 LEU 94 5.463 21.947 33.083 743 3HD2 LEU 94 1HD2 LEU 94 5.138 21.893 34.832 744 H VAL 95 H VAL 95 1.232 25.864 32.490 745 HA VAL 95 HA VAL 95 -0.146 24.222 30.367 746 HB VAL 95 HB VAL 95 -0.395 27.364 30.707 747 1HG1 VAL 95 3HG1 VAL 95 -1.771 25.117 29.159 748 2HG1 VAL 95 1HG1 VAL 95 -2.230 26.836 29.126 749 3HG1 VAL 95 2HG1 VAL 95 -0.656 26.322 28.473 750 1HG2 VAL 95 1HG2 VAL 95 -2.178 25.054 31.580 751 2HG2 VAL 95 2HG2 VAL 95 -1.385 26.208 32.679 752 3HG2 VAL 95 3HG2 VAL 95 -2.637 26.773 31.547 753 H ILE 96 H ILE 96 0.974 23.769 28.779 754 HA ILE 96 HA ILE 96 3.509 25.325 27.860 755 HB ILE 96 HB ILE 96 2.401 22.751 26.944 756 1HG1 ILE 96 1HG1 ILE 96 2.734 22.157 29.355 757 2HG1 ILE 96 2HG1 ILE 96 4.003 21.394 28.400 758 1HG2 ILE 96 2HG2 ILE 96 3.982 24.191 25.616 759 2HG2 ILE 96 3HG2 ILE 96 5.191 24.074 26.917 760 3HG2 ILE 96 1HG2 ILE 96 4.729 22.622 25.998 761 1HD1 ILE 96 1HD1 ILE 96 4.189 24.121 29.735 762 2HD1 ILE 96 2HD1 ILE 96 4.964 22.629 30.316 763 3HD1 ILE 96 3HD1 ILE 96 5.471 23.351 28.771 764 H ALA 97 H ALA 97 3.188 26.920 26.611 765 HA ALA 97 HA ALA 97 0.663 26.897 24.946 766 1HB ALA 97 2HB ALA 97 0.829 28.547 26.768 767 2HB ALA 97 3HB ALA 97 2.324 29.200 26.056 768 3HB ALA 97 1HB ALA 97 0.782 29.352 25.182 769 H GLY 98 H GLY 98 3.808 26.049 24.336 770 1HA GLY 98 1HA GLY 98 4.352 25.613 22.099 771 2HA GLY 98 2HA GLY 98 3.476 27.119 21.624 772 H GLY 99 H GLY 99 6.952 27.846 20.854 773 1HA GLY 99 1HA GLY 99 4.398 26.798 19.785 774 2HA GLY 99 2HA GLY 99 5.847 27.332 18.860 775 H ALA 100 H ALA 100 6.012 25.627 17.624 776 HA ALA 100 HA ALA 100 5.474 23.122 18.419 777 1HB ALA 100 2HB ALA 100 5.676 23.843 16.000 778 2HB ALA 100 3HB ALA 100 7.448 23.807 16.160 779 3HB ALA 100 1HB ALA 100 6.512 22.300 16.294 780 H GLN 101 H GLN 101 8.703 24.663 18.473 781 HA GLN 101 HA GLN 101 10.257 22.159 18.956 782 1HB GLN 101 1HB GLN 101 10.681 25.099 19.829 783 2HB GLN 101 2HB GLN 101 11.807 23.842 20.270 784 1HG GLN 101 1HG GLN 101 11.673 23.000 17.834 785 2HG GLN 101 2HG GLN 101 10.794 24.518 17.464 786 1HE2 GLN 101 1HE2 GLN 101 13.535 24.229 19.818 787 2HE2 GLN 101 2HE2 GLN 101 14.540 25.355 18.865 788 H ILE 102 H ILE 102 8.526 24.659 21.101 789 HA ILE 102 HA ILE 102 9.440 23.137 23.436 790 HB ILE 102 HB ILE 102 7.696 25.277 22.739 791 1HG1 ILE 102 1HG1 ILE 102 8.680 26.671 24.403 792 2HG1 ILE 102 2HG1 ILE 102 9.081 25.315 25.395 793 1HG2 ILE 102 2HG2 ILE 102 6.165 24.388 24.541 794 2HG2 ILE 102 3HG2 ILE 102 7.502 24.501 25.710 795 3HG2 ILE 102 1HG2 ILE 102 6.814 25.980 25.000 796 1HD1 ILE 102 1HD1 ILE 102 10.418 25.961 22.684 797 2HD1 ILE 102 2HD1 ILE 102 11.181 26.214 24.272 798 3HD1 ILE 102 3HD1 ILE 102 10.831 24.564 23.706 799 H PHE 103 H PHE 103 6.387 23.108 21.547 800 HA PHE 103 HA PHE 103 5.127 21.376 23.383 801 1HB PHE 103 1HB PHE 103 4.899 21.422 20.391 802 2HB PHE 103 2HB PHE 103 3.887 20.351 21.426 803 HD1 PHE 103 HD1 PHE 103 3.210 21.923 23.714 804 HD2 PHE 103 HD2 PHE 103 3.603 23.216 19.526 805 HE1 PHE 103 HE1 PHE 103 1.198 23.476 23.872 806 HE2 PHE 103 HE2 PHE 103 1.632 24.811 19.798 807 HZ PHE 103 HZ PHE 103 0.916 25.220 22.224 808 H THR 104 H THR 104 7.571 20.611 20.763 809 HA THR 104 HA THR 104 7.714 17.561 21.022 810 HB THR 104 HB THR 104 9.831 19.832 20.560 811 HG1 THR 104 HG1 THR 104 8.546 20.048 18.642 812 1HG2 THR 104 3HG2 THR 104 9.588 16.820 19.710 813 2HG2 THR 104 1HG2 THR 104 10.897 17.905 19.184 814 3HG2 THR 104 2HG2 THR 104 10.766 17.433 20.895 815 H ALA 105 H ALA 105 9.339 20.284 22.782 816 HA ALA 105 HA ALA 105 11.129 18.453 24.495 817 1HB ALA 105 3HB ALA 105 9.934 21.282 24.785 818 2HB ALA 105 1HB ALA 105 11.173 20.580 25.853 819 3HB ALA 105 2HB ALA 105 11.550 20.901 24.143 820 H PHE 106 H PHE 106 7.456 19.438 24.992 821 HA PHE 106 HA PHE 106 7.659 17.975 27.672 822 1HB PHE 106 1HB PHE 106 5.729 20.112 26.506 823 2HB PHE 106 2HB PHE 106 5.491 19.291 28.081 824 HD1 PHE 106 HD2 PHE 106 6.914 19.426 29.836 825 HD2 PHE 106 HD1 PHE 106 7.626 21.854 26.375 826 HE1 PHE 106 HE2 PHE 106 8.019 21.166 31.239 827 HE2 PHE 106 HE1 PHE 106 9.199 23.376 27.571 828 HZ PHE 106 HZ PHE 106 9.429 22.844 30.161 829 H LYS 107 H LYS 107 7.293 16.888 24.501 830 HA LYS 107 HA LYS 107 4.435 16.082 24.014 831 1HB LYS 107 1HB LYS 107 6.595 16.039 22.452 832 2HB LYS 107 2HB LYS 107 7.053 14.553 23.352 833 1HG LYS 107 1HG LYS 107 4.855 13.786 22.762 834 2HG LYS 107 2HG LYS 107 4.915 15.149 21.535 835 1HD LYS 107 1HD LYS 107 6.366 13.802 20.087 836 2HD LYS 107 2HD LYS 107 6.513 12.535 21.298 837 1HE LYS 107 1HE LYS 107 3.633 12.620 21.271 838 2HE LYS 107 2HE LYS 107 3.857 13.265 19.678 839 1HZ LYS 107 1HZ LYS 107 5.387 10.920 20.801 840 2HZ LYS 107 2HZ LYS 107 4.155 10.796 19.663 841 3HZ LYS 107 3HZ LYS 107 5.604 11.546 19.255 842 H ASP 108 H ASP 108 6.938 14.681 26.444 843 HA ASP 108 HA ASP 108 4.967 12.493 26.605 844 1HB ASP 108 1HB ASP 108 7.748 12.663 27.845 845 2HB ASP 108 2HB ASP 108 6.693 11.194 27.846 846 H ASP 109 H ASP 109 5.161 15.316 28.003 847 HA ASP 109 HA ASP 109 4.396 14.043 30.883 848 1HB ASP 109 1HB ASP 109 5.715 16.611 29.579 849 2HB ASP 109 2HB ASP 109 5.146 16.570 31.301 850 H VAL 110 H VAL 110 2.844 15.199 27.852 851 HA VAL 110 HA VAL 110 1.063 17.169 29.446 852 HB VAL 110 HB VAL 110 1.689 17.626 27.098 853 1HG1 VAL 110 2HG1 VAL 110 1.977 15.272 26.337 854 2HG1 VAL 110 3HG1 VAL 110 0.214 15.039 26.397 855 3HG1 VAL 110 1HG1 VAL 110 0.922 16.175 25.224 856 1HG2 VAL 110 2HG2 VAL 110 -0.520 18.390 27.852 857 2HG2 VAL 110 3HG2 VAL 110 -0.538 18.003 26.115 858 3HG2 VAL 110 1HG2 VAL 110 -1.246 16.866 27.287 859 H ASP 111 H ASP 111 -0.790 16.754 30.198 860 HA ASP 111 HA ASP 111 -1.951 14.090 29.695 861 1HB ASP 111 1HB ASP 111 -3.179 14.349 31.995 862 2HB ASP 111 2HB ASP 111 -1.638 13.600 31.769 863 H THR 112 H THR 112 -2.589 17.474 29.361 864 HA THR 112 HA THR 112 -5.530 16.869 28.450 865 HB THR 112 HB THR 112 -4.305 19.363 30.030 866 HG1 THR 112 HG1 THR 112 -5.834 18.372 31.808 867 1HG2 THR 112 3HG2 THR 112 -7.217 18.565 29.414 868 2HG2 THR 112 1HG2 THR 112 -6.709 19.974 30.376 869 3HG2 THR 112 2HG2 THR 112 -6.321 19.893 28.641 870 H LEU 113 H LEU 113 -6.072 17.619 26.656 871 HA LEU 113 HA LEU 113 -4.088 19.587 25.381 872 1HB LEU 113 1HB LEU 113 -6.124 17.821 23.955 873 2HB LEU 113 2HB LEU 113 -4.712 18.681 23.254 874 HG LEU 113 HG LEU 113 -4.458 16.276 25.174 875 1HD1 LEU 113 3HD1 LEU 113 -4.238 16.488 22.097 876 2HD1 LEU 113 1HD1 LEU 113 -3.853 15.035 23.050 877 3HD1 LEU 113 2HD1 LEU 113 -5.529 15.629 22.972 878 1HD2 LEU 113 1HD2 LEU 113 -2.490 17.827 23.430 879 2HD2 LEU 113 2HD2 LEU 113 -2.583 17.878 25.207 880 3HD2 LEU 113 3HD2 LEU 113 -2.104 16.374 24.384 881 H LEU 114 H LEU 114 -4.779 21.651 25.309 882 HA LEU 114 HA LEU 114 -7.759 22.218 25.296 883 1HB LEU 114 1HB LEU 114 -5.565 24.182 26.021 884 2HB LEU 114 2HB LEU 114 -7.307 24.433 26.120 885 HG LEU 114 HG LEU 114 -5.918 22.020 27.633 886 1HD1 LEU 114 3HD1 LEU 114 -6.658 24.866 28.376 887 2HD1 LEU 114 1HD1 LEU 114 -6.015 23.631 29.484 888 3HD1 LEU 114 2HD1 LEU 114 -5.007 24.241 28.151 889 1HD2 LEU 114 1HD2 LEU 114 -8.570 23.434 27.890 890 2HD2 LEU 114 2HD2 LEU 114 -8.319 21.768 27.316 891 3HD2 LEU 114 3HD2 LEU 114 -7.927 22.199 28.998 892 H VAL 115 H VAL 115 -8.131 21.914 23.000 893 HA VAL 115 HA VAL 115 -6.160 23.366 21.291 894 HB VAL 115 HB VAL 115 -5.882 21.077 20.826 895 1HG1 VAL 115 2HG1 VAL 115 -7.994 20.273 21.600 896 2HG1 VAL 115 3HG1 VAL 115 -8.783 20.971 20.166 897 3HG1 VAL 115 1HG1 VAL 115 -7.602 19.652 19.979 898 1HG2 VAL 115 2HG2 VAL 115 -5.803 22.618 18.891 899 2HG2 VAL 115 3HG2 VAL 115 -6.348 21.001 18.386 900 3HG2 VAL 115 1HG2 VAL 115 -7.528 22.320 18.573 901 H THR 116 H THR 116 -6.926 24.907 19.795 902 HA THR 116 HA THR 116 -9.962 25.205 19.623 903 HB THR 116 HB THR 116 -7.849 27.427 19.043 904 HG1 THR 116 HG1 THR 116 -8.693 28.280 20.908 905 1HG2 THR 116 3HG2 THR 116 -10.954 27.390 19.142 906 2HG2 THR 116 1HG2 THR 116 -9.962 28.850 18.981 907 3HG2 THR 116 2HG2 THR 116 -9.948 27.638 17.696 908 H ARG 117 H ARG 117 -10.567 24.401 17.756 909 HA ARG 117 HA ARG 117 -8.658 23.877 15.511 910 1HB ARG 117 1HB ARG 117 -11.078 22.610 16.506 911 2HB ARG 117 2HB ARG 117 -10.862 22.653 14.707 912 1HG ARG 117 1HG ARG 117 -9.072 21.416 14.825 913 2HG ARG 117 2HG ARG 117 -9.031 21.527 16.617 914 1HD ARG 117 1HD ARG 117 -11.433 20.300 16.442 915 2HD ARG 117 2HD ARG 117 -10.766 19.737 14.857 916 HE ARG 117 HE ARG 117 -10.149 19.081 17.477 917 1HH1 ARG 117 2HH1 ARG 117 -8.714 19.113 14.614 918 2HH1 ARG 117 1HH1 ARG 117 -7.480 17.890 15.021 919 1HH2 ARG 117 1HH2 ARG 117 -8.097 17.158 18.171 920 2HH2 ARG 117 2HH2 ARG 117 -7.241 17.049 16.609 921 H LEU 118 H LEU 118 -8.680 25.346 13.761 922 HA LEU 118 HA LEU 118 -11.145 27.143 13.384 923 1HB LEU 118 1HB LEU 118 -8.279 27.306 12.508 924 2HB LEU 118 2HB LEU 118 -9.554 28.168 11.572 925 HG LEU 118 HG LEU 118 -10.149 29.573 13.999 926 1HD1 LEU 118 3HD1 LEU 118 -7.760 27.790 14.454 927 2HD1 LEU 118 1HD1 LEU 118 -8.066 29.345 15.265 928 3HD1 LEU 118 2HD1 LEU 118 -9.151 27.963 15.550 929 1HD2 LEU 118 1HD2 LEU 118 -7.415 28.834 12.583 930 2HD2 LEU 118 2HD2 LEU 118 -8.593 29.978 11.897 931 3HD2 LEU 118 3HD2 LEU 118 -7.721 30.389 13.394 932 H ALA 119 H ALA 119 -12.510 27.080 11.547 933 HA ALA 119 HA ALA 119 -12.847 24.242 10.283 934 1HB ALA 119 3HB ALA 119 -13.985 27.078 9.920 935 2HB ALA 119 1HB ALA 119 -14.629 25.607 9.154 936 3HB ALA 119 2HB ALA 119 -14.703 25.794 10.922 937 H GLY 120 H GLY 120 -11.047 27.348 9.350 938 1HA GLY 120 1HA GLY 120 -11.019 26.336 6.650 939 2HA GLY 120 2HA GLY 120 -10.517 27.948 7.259 940 H SER 121 H SER 121 -9.110 27.413 5.499 941 HA SER 121 HA SER 121 -6.710 25.837 6.667 942 1HB SER 121 1HB SER 121 -7.746 24.566 4.981 943 2HB SER 121 2HB SER 121 -7.931 26.013 3.893 944 HG SER 121 HG SER 121 -6.055 25.933 3.390 945 H PHE 122 H PHE 122 -4.650 27.073 6.573 946 HA PHE 122 HA PHE 122 -4.762 29.804 5.399 947 1HB PHE 122 1HB PHE 122 -3.813 29.008 8.177 948 2HB PHE 122 2HB PHE 122 -3.432 30.584 7.366 949 HD1 PHE 122 HD1 PHE 122 -6.066 28.373 8.878 950 HD2 PHE 122 HD2 PHE 122 -5.081 32.289 7.028 951 HE1 PHE 122 HE1 PHE 122 -8.422 29.292 9.383 952 HE2 PHE 122 HE2 PHE 122 -7.223 33.089 7.916 953 HZ PHE 122 HZ PHE 122 -8.913 31.649 8.822 954 H GLU 123 H GLU 123 -2.469 30.564 5.018 955 HA GLU 123 HA GLU 123 -0.576 28.290 4.163 956 1HB GLU 123 1HB GLU 123 -1.684 30.263 2.789 957 2HB GLU 123 2HB GLU 123 -0.820 31.383 3.892 958 1HG GLU 123 1HG GLU 123 1.317 30.727 3.051 959 2HG GLU 123 2HG GLU 123 0.622 29.305 2.195 960 H GLY 124 H GLY 124 1.153 27.938 5.449 961 1HA GLY 124 1HA GLY 124 2.598 30.055 6.679 962 2HA GLY 124 2HA GLY 124 1.765 29.057 7.901 963 H ASP 125 H ASP 125 3.755 28.469 8.665 964 HA ASP 125 HA ASP 125 5.254 26.453 6.970 965 1HB ASP 125 1HB ASP 125 7.249 27.554 7.623 966 2HB ASP 125 2HB ASP 125 6.064 28.543 6.667 967 H THR 126 H THR 126 3.666 26.838 9.991 968 HA THR 126 HA THR 126 5.612 24.833 11.336 969 HB THR 126 HB THR 126 4.431 27.357 12.864 970 HG1 THR 126 HG1 THR 126 6.971 27.476 12.689 971 1HG2 THR 126 3HG2 THR 126 6.241 25.060 13.625 972 2HG2 THR 126 1HG2 THR 126 5.926 26.518 14.596 973 3HG2 THR 126 2HG2 THR 126 4.608 25.369 14.262 974 H LYS 127 H LYS 127 4.440 23.103 12.008 975 HA LYS 127 HA LYS 127 1.421 23.282 12.227 976 1HB LYS 127 1HB LYS 127 3.044 20.942 11.309 977 2HB LYS 127 2HB LYS 127 1.314 20.969 11.586 978 1HG LYS 127 1HG LYS 127 1.251 22.939 9.718 979 2HG LYS 127 2HG LYS 127 2.828 22.402 9.275 980 1HD LYS 127 1HD LYS 127 1.820 19.888 9.858 981 2HD LYS 127 2HD LYS 127 0.257 20.707 9.444 982 1HE LYS 127 1HE LYS 127 1.247 21.446 7.324 983 2HE LYS 127 2HE LYS 127 2.751 20.574 7.729 984 1HZ LYS 127 3HZ LYS 127 1.444 18.479 7.843 985 2HZ LYS 127 1HZ LYS 127 0.028 19.301 7.461 986 3HZ LYS 127 2HZ LYS 127 1.264 19.184 6.327 987 H MET 128 H MET 128 0.551 22.037 13.679 988 HA MET 128 HA MET 128 1.921 21.789 16.260 989 1HB MET 128 1HB MET 128 -0.437 22.027 16.246 990 2HB MET 128 2HB MET 128 -0.649 20.534 15.357 991 1HG MET 128 1HG MET 128 -1.083 20.047 17.855 992 2HG MET 128 2HG MET 128 0.407 19.231 17.393 993 1HE MET 128 3HE MET 128 -0.520 20.370 20.329 994 2HE MET 128 1HE MET 128 0.935 19.383 20.061 995 3HE MET 128 2HE MET 128 1.051 20.910 20.966 996 H ILE 129 H ILE 129 2.862 20.057 17.200 997 HA ILE 129 HA ILE 129 4.124 18.032 15.701 998 HB ILE 129 HB ILE 129 5.034 17.069 17.852 999 1HG1 ILE 129 1HG1 ILE 129 3.227 19.039 19.186 1000 2HG1 ILE 129 2HG1 ILE 129 2.711 17.412 18.804 1001 1HG2 ILE 129 3HG2 ILE 129 5.034 20.086 17.647 1002 2HG2 ILE 129 1HG2 ILE 129 6.218 19.089 18.524 1003 3HG2 ILE 129 2HG2 ILE 129 6.092 18.969 16.753 1004 1HD1 ILE 129 3HD1 ILE 129 4.637 16.472 20.137 1005 2HD1 ILE 129 1HD1 ILE 129 5.162 18.127 20.526 1006 3HD1 ILE 129 2HD1 ILE 129 3.616 17.512 21.158 1007 HA PRO 130 HA PRO 130 1.151 15.140 15.553 1008 1HB PRO 130 1HB PRO 130 2.584 12.615 15.625 1009 2HB PRO 130 2HB PRO 130 2.150 13.544 14.133 1010 1HG PRO 130 1HG PRO 130 4.572 13.344 15.658 1011 2HG PRO 130 2HG PRO 130 4.258 13.532 13.903 1012 1HD PRO 130 1HD PRO 130 5.279 15.479 15.480 1013 2HD PRO 130 2HD PRO 130 4.349 15.788 14.024 1014 H LEU 131 H LEU 131 -0.375 13.987 17.013 1015 HA LEU 131 HA LEU 131 1.083 12.947 19.659 1016 1HB LEU 131 1HB LEU 131 -1.584 14.392 19.271 1017 2HB LEU 131 2HB LEU 131 -0.845 13.835 20.829 1018 HG LEU 131 HG LEU 131 0.405 16.328 19.437 1019 1HD1 LEU 131 3HD1 LEU 131 -2.236 15.998 20.645 1020 2HD1 LEU 131 1HD1 LEU 131 -1.420 17.505 20.162 1021 3HD1 LEU 131 2HD1 LEU 131 -1.828 16.282 18.936 1022 1HD2 LEU 131 1HD2 LEU 131 0.452 14.973 21.991 1023 2HD2 LEU 131 2HD2 LEU 131 1.656 14.952 20.681 1024 3HD2 LEU 131 3HD2 LEU 131 1.268 16.479 21.509 1025 H ASN 132 H ASN 132 0.006 11.374 20.699 1026 HA ASN 132 HA ASN 132 -1.571 9.456 18.808 1027 1HB ASN 132 1HB ASN 132 0.336 8.705 20.147 1028 2HB ASN 132 2HB ASN 132 -0.556 9.041 21.615 1029 1HD2 ASN 132 2HD2 ASN 132 -1.154 5.445 20.603 1030 2HD2 ASN 132 1HD2 ASN 132 -0.168 6.583 21.560 1031 H TRP 133 H TRP 133 -3.723 10.814 18.464 1032 HA TRP 133 HA TRP 133 -5.241 12.030 20.444 1033 1HB TRP 133 1HB TRP 133 -5.847 11.100 17.646 1034 2HB TRP 133 2HB TRP 133 -7.056 11.935 18.700 1035 HD1 TRP 133 HD1 TRP 133 -3.782 12.427 16.855 1036 HE1 TRP 133 HE1 TRP 133 -3.106 14.876 16.666 1037 HE3 TRP 133 HE3 TRP 133 -7.137 14.197 20.285 1038 HZ2 TRP 133 HZ2 TRP 133 -3.904 17.272 17.853 1039 HZ3 TRP 133 HZ3 TRP 133 -7.022 16.660 20.877 1040 HH2 TRP 133 HH2 TRP 133 -5.513 18.153 19.462 1041 H ASP 134 H ASP 134 -4.830 8.812 19.417 1042 HA ASP 134 HA ASP 134 -7.366 7.804 20.299 1043 1HB ASP 134 1HB ASP 134 -4.897 6.207 19.260 1044 2HB ASP 134 2HB ASP 134 -6.248 5.331 20.016 1045 H ASP 135 H ASP 135 -4.399 8.489 22.051 1046 HA ASP 135 HA ASP 135 -5.084 6.935 24.246 1047 1HB ASP 135 1HB ASP 135 -2.840 9.009 23.996 1048 2HB ASP 135 2HB ASP 135 -3.292 8.351 25.608 1049 H PHE 136 H PHE 136 -6.625 9.531 23.244 1050 HA PHE 136 HA PHE 136 -7.001 10.834 26.000 1051 1HB PHE 136 1HB PHE 136 -6.731 12.338 23.209 1052 2HB PHE 136 2HB PHE 136 -7.285 13.135 24.722 1053 HD1 PHE 136 HD1 PHE 136 -4.301 11.498 23.144 1054 HD2 PHE 136 HD2 PHE 136 -5.864 13.755 26.326 1055 HE1 PHE 136 HE1 PHE 136 -1.956 11.941 23.808 1056 HE2 PHE 136 HE2 PHE 136 -3.540 14.446 27.021 1057 HZ PHE 136 HZ PHE 136 -1.642 13.445 25.803 1058 H THR 137 H THR 137 -9.038 11.755 26.347 1059 HA THR 137 HA THR 137 -11.057 10.798 24.284 1060 HB THR 137 HB THR 137 -11.437 11.268 27.452 1061 HG1 THR 137 HG1 THR 137 -12.244 8.953 26.329 1062 1HG2 THR 137 3HG2 THR 137 -13.588 10.520 25.427 1063 2HG2 THR 137 1HG2 THR 137 -13.726 10.384 27.197 1064 3HG2 THR 137 2HG2 THR 137 -13.567 11.986 26.437 1065 H LYS 138 H LYS 138 -12.622 12.687 23.268 1066 HA LYS 138 HA LYS 138 -11.838 15.354 24.109 1067 1HB LYS 138 1HB LYS 138 -12.465 14.515 21.780 1068 2HB LYS 138 2HB LYS 138 -14.141 14.339 22.381 1069 1HG LYS 138 1HG LYS 138 -14.180 16.737 23.012 1070 2HG LYS 138 2HG LYS 138 -12.497 16.924 22.482 1071 1HD LYS 138 1HD LYS 138 -14.014 17.727 20.803 1072 2HD LYS 138 2HD LYS 138 -13.121 16.268 20.238 1073 1HE LYS 138 1HE LYS 138 -15.321 15.008 20.858 1074 2HE LYS 138 2HE LYS 138 -16.066 16.597 20.785 1075 1HZ LYS 138 3HZ LYS 138 -14.926 16.987 18.529 1076 2HZ LYS 138 1HZ LYS 138 -14.213 15.465 18.599 1077 3HZ LYS 138 2HZ LYS 138 -15.880 15.605 18.435 1078 H VAL 139 H VAL 139 -12.564 15.915 26.157 1079 HA VAL 139 HA VAL 139 -14.928 14.698 27.266 1080 HB VAL 139 HB VAL 139 -12.774 16.654 28.342 1081 1HG1 VAL 139 3HG1 VAL 139 -15.230 15.645 29.743 1082 2HG1 VAL 139 1HG1 VAL 139 -13.815 16.396 30.518 1083 3HG1 VAL 139 2HG1 VAL 139 -14.836 17.349 29.414 1084 1HG2 VAL 139 1HG2 VAL 139 -13.941 13.867 29.113 1085 2HG2 VAL 139 2HG2 VAL 139 -12.441 14.105 28.185 1086 3HG2 VAL 139 3HG2 VAL 139 -12.526 14.618 29.887 1087 H SER 140 H SER 140 -14.034 17.895 25.781 1088 HA SER 140 HA SER 140 -16.903 19.076 26.257 1089 1HB SER 140 1HB SER 140 -14.500 20.022 27.857 1090 2HB SER 140 2HB SER 140 -14.184 20.838 26.410 1091 HG SER 140 HG SER 140 -16.040 21.842 26.964 1092 H SER 141 H SER 141 -17.539 20.081 24.488 1093 HA SER 141 HA SER 141 -15.422 21.048 22.387 1094 1HB SER 141 1HB SER 141 -16.349 18.694 21.801 1095 2HB SER 141 2HB SER 141 -17.960 19.327 21.887 1096 HG SER 141 HG SER 141 -16.112 21.231 20.747 1097 H ARG 142 H ARG 142 -16.012 23.305 21.948 1098 HA ARG 142 HA ARG 142 -19.046 24.286 22.267 1099 1HB ARG 142 1HB ARG 142 -17.372 24.861 24.256 1100 2HB ARG 142 2HB ARG 142 -16.498 25.734 23.002 1101 1HG ARG 142 1HG ARG 142 -18.445 26.979 22.378 1102 2HG ARG 142 2HG ARG 142 -19.508 25.911 23.289 1103 1HD ARG 142 1HD ARG 142 -18.732 28.085 24.378 1104 2HD ARG 142 2HD ARG 142 -18.659 26.533 25.328 1105 HE ARG 142 HE ARG 142 -16.218 26.943 25.612 1106 1HH1 ARG 142 2HH1 ARG 142 -18.446 29.263 23.379 1107 2HH1 ARG 142 1HH1 ARG 142 -17.321 30.648 23.383 1108 1HH2 ARG 142 1HH2 ARG 142 -14.891 28.678 25.627 1109 2HH2 ARG 142 2HH2 ARG 142 -15.046 30.264 24.825 1110 H THR 143 H THR 143 -19.431 24.951 20.205 1111 HA THR 143 HA THR 143 -17.157 25.811 18.610 1112 HB THR 143 HB THR 143 -20.069 25.278 17.507 1113 HG1 THR 143 HG1 THR 143 -19.277 23.156 17.573 1114 1HG2 THR 143 3HG2 THR 143 -17.515 25.699 15.901 1115 2HG2 THR 143 1HG2 THR 143 -19.072 25.117 15.266 1116 3HG2 THR 143 2HG2 THR 143 -18.937 26.769 15.913 1117 H VAL 144 H VAL 144 -16.978 27.840 17.714 1118 HA VAL 144 HA VAL 144 -19.105 29.800 18.238 1119 HB VAL 144 HB VAL 144 -16.160 30.527 18.301 1120 1HG1 VAL 144 2HG1 VAL 144 -17.390 32.449 17.440 1121 2HG1 VAL 144 3HG1 VAL 144 -18.504 32.369 18.825 1122 3HG1 VAL 144 1HG1 VAL 144 -16.785 32.749 19.087 1123 1HG2 VAL 144 2HG2 VAL 144 -17.000 29.037 19.843 1124 2HG2 VAL 144 3HG2 VAL 144 -16.535 30.588 20.581 1125 3HG2 VAL 144 1HG2 VAL 144 -18.253 30.207 20.320 1126 H GLU 145 H GLU 145 -19.926 30.867 16.503 1127 HA GLU 145 HA GLU 145 -18.538 30.153 13.817 1128 1HB GLU 145 1HB GLU 145 -21.273 31.348 14.625 1129 2HB GLU 145 2HB GLU 145 -20.681 31.544 13.003 1130 1HG GLU 145 1HG GLU 145 -20.822 28.810 12.556 1131 2HG GLU 145 2HG GLU 145 -21.214 28.522 14.235 1132 H ASP 146 H ASP 146 -17.685 31.596 12.564 1133 HA ASP 146 HA ASP 146 -17.553 34.530 13.592 1134 1HB ASP 146 1HB ASP 146 -15.509 32.888 13.468 1135 2HB ASP 146 2HB ASP 146 -15.653 33.140 11.723 1136 H THR 147 H THR 147 -17.868 36.285 11.755 1137 HA THR 147 HA THR 147 -19.473 35.432 9.546 1138 HB THR 147 HB THR 147 -19.057 37.983 8.887 1139 HG1 THR 147 HG1 THR 147 -17.068 38.361 9.737 1140 1HG2 THR 147 3HG2 THR 147 -19.945 37.115 11.763 1141 2HG2 THR 147 1HG2 THR 147 -20.453 38.622 10.964 1142 3HG2 THR 147 2HG2 THR 147 -20.990 37.051 10.324 1143 H ASN 148 H ASN 148 -15.887 35.789 9.943 1144 HA ASN 148 HA ASN 148 -15.565 34.943 6.950 1145 1HB ASN 148 1HB ASN 148 -13.723 36.315 7.718 1146 2HB ASN 148 2HB ASN 148 -13.510 35.263 9.138 1147 1HD2 ASN 148 2HD2 ASN 148 -10.961 34.407 7.160 1148 2HD2 ASN 148 1HD2 ASN 148 -11.682 35.686 8.174 1149 HA PRO 149 HA PRO 149 -16.710 31.397 8.743 1150 1HB PRO 149 1HB PRO 149 -16.883 29.288 6.717 1151 2HB PRO 149 2HB PRO 149 -18.192 30.381 6.938 1152 1HG PRO 149 1HG PRO 149 -15.605 30.861 5.580 1153 2HG PRO 149 2HG PRO 149 -17.253 30.806 4.847 1154 1HD PRO 149 1HD PRO 149 -16.168 33.261 5.063 1155 2HD PRO 149 2HD PRO 149 -17.742 33.134 5.745 1156 H ALA 150 H ALA 150 -13.725 31.514 7.044 1157 HA ALA 150 HA ALA 150 -12.441 28.958 7.472 1158 1HB ALA 150 3HB ALA 150 -11.380 31.780 7.039 1159 2HB ALA 150 1HB ALA 150 -10.436 30.277 6.912 1160 3HB ALA 150 2HB ALA 150 -11.762 30.594 5.769 1161 H LEU 151 H LEU 151 -13.482 31.561 9.584 1162 HA LEU 151 HA LEU 151 -11.475 31.104 11.313 1163 1HB LEU 151 1HB LEU 151 -13.082 33.563 11.245 1164 2HB LEU 151 2HB LEU 151 -12.115 33.158 12.703 1165 HG LEU 151 HG LEU 151 -10.901 33.507 9.850 1166 1HD1 LEU 151 3HD1 LEU 151 -11.127 35.302 12.301 1167 2HD1 LEU 151 1HD1 LEU 151 -10.254 35.684 10.798 1168 3HD1 LEU 151 2HD1 LEU 151 -12.023 35.492 10.775 1169 1HD2 LEU 151 1HD2 LEU 151 -9.642 32.834 12.536 1170 2HD2 LEU 151 2HD2 LEU 151 -9.777 31.752 11.130 1171 3HD2 LEU 151 3HD2 LEU 151 -8.769 33.215 11.033 1172 H THR 152 H THR 152 -14.666 30.402 10.993 1173 HA THR 152 HA THR 152 -15.879 30.131 13.532 1174 HB THR 152 HB THR 152 -16.124 28.297 11.019 1175 HG1 THR 152 HG1 THR 152 -16.913 30.719 11.522 1176 1HG2 THR 152 3HG2 THR 152 -17.705 28.230 13.685 1177 2HG2 THR 152 1HG2 THR 152 -18.122 27.296 12.228 1178 3HG2 THR 152 2HG2 THR 152 -16.618 26.942 13.111 1179 H HIS 153 H HIS 153 -15.453 28.880 15.184 1180 HA HIS 153 HA HIS 153 -13.270 26.759 14.918 1181 1HB HIS 153 1HB HIS 153 -11.998 27.916 16.832 1182 2HB HIS 153 2HB HIS 153 -12.031 28.785 15.256 1183 HD1 HIS 153 HD1 HIS 153 -13.789 30.931 15.142 1184 HD2 HIS 153 HD2 HIS 153 -13.025 29.428 18.937 1185 HE1 HIS 153 HE1 HIS 153 -14.478 32.623 16.879 1186 HE2 HIS 153 HE2 HIS 153 -13.763 31.847 19.163 1187 H THR 154 H THR 154 -12.838 25.493 16.689 1188 HA THR 154 HA THR 154 -15.261 25.126 18.570 1189 HB THR 154 HB THR 154 -13.618 22.860 17.074 1190 HG1 THR 154 HG1 THR 154 -15.652 24.577 16.305 1191 1HG2 THR 154 3HG2 THR 154 -16.087 22.912 18.952 1192 2HG2 THR 154 1HG2 THR 154 -15.525 21.483 18.053 1193 3HG2 THR 154 2HG2 THR 154 -14.522 22.167 19.354 1194 H TYR 155 H TYR 155 -14.585 25.372 20.589 1195 HA TYR 155 HA TYR 155 -11.685 24.974 21.398 1196 1HB TYR 155 1HB TYR 155 -14.087 25.632 22.946 1197 2HB TYR 155 2HB TYR 155 -12.367 25.649 23.496 1198 HD1 TYR 155 HD1 TYR 155 -10.788 26.939 22.214 1199 HD2 TYR 155 HD2 TYR 155 -15.038 27.737 21.950 1200 HE1 TYR 155 HE1 TYR 155 -10.340 29.380 21.510 1201 HE2 TYR 155 HE2 TYR 155 -14.638 30.143 21.703 1202 HH TYR 155 HH TYR 155 -11.181 31.389 21.549 1203 H GLU 156 H GLU 156 -11.005 22.872 21.829 1204 HA GLU 156 HA GLU 156 -13.018 20.920 22.920 1205 1HB GLU 156 1HB GLU 156 -10.518 20.290 21.348 1206 2HB GLU 156 2HB GLU 156 -11.771 19.158 21.884 1207 1HG GLU 156 1HG GLU 156 -13.498 20.286 20.342 1208 2HG GLU 156 2HG GLU 156 -12.323 21.517 19.878 1209 H VAL 157 H VAL 157 -12.509 19.782 24.642 1210 HA VAL 157 HA VAL 157 -9.823 20.330 25.864 1211 HB VAL 157 HB VAL 157 -12.287 19.704 27.512 1212 1HG1 VAL 157 2HG1 VAL 157 -10.350 18.452 28.320 1213 2HG1 VAL 157 3HG1 VAL 157 -9.405 19.957 28.417 1214 3HG1 VAL 157 1HG1 VAL 157 -10.822 19.727 29.468 1215 1HG2 VAL 157 2HG2 VAL 157 -12.220 21.915 26.554 1216 2HG2 VAL 157 3HG2 VAL 157 -12.034 21.969 28.324 1217 3HG2 VAL 157 1HG2 VAL 157 -10.616 22.199 27.272 1218 H TRP 158 H TRP 158 -8.459 18.408 25.886 1219 HA TRP 158 HA TRP 158 -10.113 15.960 25.748 1220 1HB TRP 158 1HB TRP 158 -7.257 16.323 24.542 1221 2HB TRP 158 2HB TRP 158 -8.148 14.766 24.596 1222 HD1 TRP 158 HD1 TRP 158 -8.692 18.437 23.122 1223 HE1 TRP 158 HE1 TRP 158 -10.019 18.260 20.846 1224 HE3 TRP 158 HE3 TRP 158 -8.980 13.312 23.113 1225 HZ2 TRP 158 HZ2 TRP 158 -10.577 16.193 19.224 1226 HZ3 TRP 158 HZ3 TRP 158 -9.654 12.151 20.917 1227 HH2 TRP 158 HH2 TRP 158 -10.767 13.650 19.061 1228 H GLN 159 H GLN 159 -9.423 14.212 27.138 1229 HA GLN 159 HA GLN 159 -7.016 14.881 29.007 1230 1HB GLN 159 1HB GLN 159 -9.904 14.099 29.601 1231 2HB GLN 159 2HB GLN 159 -8.556 13.539 30.668 1232 1HG GLN 159 1HG GLN 159 -7.976 15.977 31.323 1233 2HG GLN 159 2HG GLN 159 -8.867 16.653 29.996 1234 1HE2 GLN 159 1HE2 GLN 159 -10.356 17.709 31.501 1235 2HE2 GLN 159 2HE2 GLN 159 -11.456 16.753 32.530 1236 H LYS 160 H LYS 160 -5.818 13.310 29.458 1237 HA LYS 160 HA LYS 160 -5.408 11.196 27.600 1238 1HB LYS 160 1HB LYS 160 -3.672 12.488 29.067 1239 2HB LYS 160 2HB LYS 160 -4.086 11.295 30.338 1240 1HG LYS 160 1HG LYS 160 -3.371 9.482 28.839 1241 2HG LYS 160 2HG LYS 160 -2.913 10.694 27.610 1242 1HD LYS 160 1HD LYS 160 -1.274 11.710 29.263 1243 2HD LYS 160 2HD LYS 160 -1.706 10.485 30.445 1244 1HE LYS 160 1HE LYS 160 -1.256 8.675 28.491 1245 2HE LYS 160 2HE LYS 160 -0.336 10.033 27.693 1246 1HZ LYS 160 1HZ LYS 160 0.044 9.020 30.416 1247 2HZ LYS 160 2HZ LYS 160 1.017 8.705 29.080 1248 3HZ LYS 160 3HZ LYS 160 0.893 10.272 29.680 1249 H LYS 161 H LYS 161 -6.284 9.082 27.608 1250 HA LYS 161 HA LYS 161 -8.145 8.130 29.541 1251 1HB LYS 161 1HB LYS 161 -6.444 6.839 27.407 1252 2HB LYS 161 2HB LYS 161 -7.809 6.008 28.234 1253 1HG LYS 161 1HG LYS 161 -9.426 7.573 27.166 1254 2HG LYS 161 2HG LYS 161 -8.148 8.520 26.481 1255 1HD LYS 161 1HD LYS 161 -7.136 6.407 25.242 1256 2HD LYS 161 2HD LYS 161 -8.111 5.321 26.163 1257 1HE LYS 161 1HE LYS 161 -9.969 6.234 25.633 1258 2HE LYS 161 2HE LYS 161 -9.108 7.780 25.092 1259 1HZ LYS 161 3HZ LYS 161 -9.133 6.946 22.958 1260 2HZ LYS 161 1HZ LYS 161 -9.916 5.541 23.450 1261 3HZ LYS 161 2HZ LYS 161 -10.683 7.029 23.607 1262 H ALA 162 H ALA 162 -7.816 6.320 31.665 1263 HA ALA 162 HA ALA 162 -5.379 6.107 33.092 1264 1HB ALA 162 3HB ALA 162 -7.269 3.838 32.242 1265 2HB ALA 162 1HB ALA 162 -6.083 3.734 33.564 1266 3HB ALA 162 2HB ALA 162 -7.482 4.824 33.708 1267 HN1 BDM 1 H1 BDM 1 -5.546 31.895 20.537 1268 1HN2 BDM 1 1H2 BDM 1 -5.822 28.844 22.214 1269 2HN2 BDM 1 2H2 BDM 1 -6.619 30.444 21.802 1270 1HN4 BDM 1 1H4 BDM 1 -0.607 29.294 20.596 1271 2HN4 BDM 1 2H4 BDM 1 -1.754 27.981 21.172 1272 H6 BDM 1 H6 BDM 1 -3.402 32.968 20.080 1273 1H7 BDM 1 1H7 BDM 1 -0.165 31.321 21.077 1274 2H7 BDM 1 2H7 BDM 1 -0.595 31.706 19.417 1275 H9 BDM 1 H9 BDM 1 -1.864 33.526 22.757 1276 H13 BDM 1 H13 BDM 1 0.302 33.471 19.055 1277 1H14 BDM 1 1H14 BDM 1 2.758 36.395 18.429 1278 2H14 BDM 1 2H14 BDM 1 2.627 35.662 20.060 1279 3H14 BDM 1 3H14 BDM 1 2.284 34.680 18.608 1280 1H15 BDM 1 1H15 BDM 1 -2.902 36.953 22.709 1281 2H15 BDM 1 2H15 BDM 1 -3.374 35.713 23.838 1282 1H16 BDM 1 1H16 BDM 1 -2.377 37.072 25.560 1283 2H16 BDM 1 2H16 BDM 1 -1.684 38.262 24.438 1284 1H17 BDM 1 1H17 BDM 1 -4.687 37.714 24.877 1285 2H17 BDM 1 2H17 BDM 1 -4.036 38.954 23.817 1286 H18 BDM 1 H18 BDM 1 -3.212 40.243 25.753 1287 1H19 BDM 1 1H19 BDM 1 -5.488 39.825 24.574 1288 2H19 BDM 1 2H19 BDM 1 -6.033 39.020 26.008 1289 1H20 BDM 1 1H20 BDM 1 -5.662 41.339 27.243 1290 2H20 BDM 1 2H20 BDM 1 -5.329 42.014 25.657 No H/Q in entry = 1290 No H/Q in entry = 1290
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