NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586461 | 2m8h | 19252 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 54.346 34.301 19.396 2 H2 GLY 1 H2 GLY 1 53.959 35.722 18.699 3 H3 GLY 1 H3 GLY 1 53.215 35.247 20.082 4 HA2 GLY 1 HA2 GLY 1 55.182 35.442 21.372 5 HA3 GLY 1 HA3 GLY 1 56.086 35.838 19.908 6 H SER 2 H SER 2 54.417 37.078 22.566 7 HA SER 2 HA SER 2 53.766 39.733 21.408 8 HB2 SER 2 HB2 SER 2 52.694 38.126 23.757 9 HB3 SER 2 HB3 SER 2 52.329 39.839 23.550 10 HG SER 2 HG SER 2 50.884 38.789 22.285 11 H GLU 3 H GLU 3 55.279 38.232 24.262 12 HA GLU 3 HA GLU 3 57.124 40.526 24.587 13 HB2 GLU 3 HB2 GLU 3 55.609 39.406 26.969 14 HB3 GLU 3 HB3 GLU 3 56.873 40.628 26.953 15 HG2 GLU 3 HG2 GLU 3 55.513 42.248 25.894 16 HG3 GLU 3 HG3 GLU 3 54.259 41.078 25.460 17 H PHE 4 H PHE 4 59.161 39.852 25.483 18 HA PHE 4 HA PHE 4 59.602 36.933 25.788 19 HB2 PHE 4 HB2 PHE 4 60.737 37.968 23.833 20 HB3 PHE 4 HB3 PHE 4 61.576 39.109 24.879 21 HD1 PHE 4 HD2 PHE 4 61.208 35.608 23.837 22 HD2 PHE 4 HD1 PHE 4 63.638 38.409 26.036 23 HE1 PHE 4 HE2 PHE 4 62.836 33.816 24.327 24 HE2 PHE 4 HE1 PHE 4 65.327 36.648 26.410 25 HZ PHE 4 HZ PHE 4 65.014 34.392 25.402 26 H GLU 5 H GLU 5 60.055 40.005 27.393 27 HA GLU 5 HA GLU 5 61.760 38.744 29.444 28 HB2 GLU 5 HB2 GLU 5 61.704 41.604 28.436 29 HB3 GLU 5 HB3 GLU 5 62.804 40.934 29.690 30 HG2 GLU 5 HG2 GLU 5 63.570 39.261 28.020 31 HG3 GLU 5 HG3 GLU 5 62.599 40.102 26.789 32 H LEU 6 H LEU 6 58.821 38.768 29.651 33 HA LEU 6 HA LEU 6 58.347 40.533 32.009 34 HB2 LEU 6 HB2 LEU 6 56.757 39.703 29.586 35 HB3 LEU 6 HB3 LEU 6 55.859 39.813 31.068 36 HG LEU 6 HG LEU 6 55.567 41.838 30.019 37 HD11 LEU 6 HD11 LEU 6 57.547 42.318 32.262 38 HD12 LEU 6 HD12 LEU 6 56.102 43.261 31.863 39 HD13 LEU 6 HD13 LEU 6 55.931 41.608 32.484 40 HD21 LEU 6 HD21 LEU 6 58.541 42.522 30.083 41 HD22 LEU 6 HD22 LEU 6 57.751 41.793 28.653 42 HD23 LEU 6 HD23 LEU 6 57.221 43.363 29.266 43 H ARG 7 H ARG 7 57.189 39.999 33.809 44 HA ARG 7 HA ARG 7 57.357 37.430 34.852 45 HB2 ARG 7 HB2 ARG 7 55.625 39.842 35.544 46 HB3 ARG 7 HB3 ARG 7 55.561 38.333 36.456 47 HG2 ARG 7 HG2 ARG 7 56.922 39.845 37.612 48 HG3 ARG 7 HG3 ARG 7 57.844 38.428 37.046 49 HD2 ARG 7 HD2 ARG 7 57.954 41.076 35.576 50 HD3 ARG 7 HD3 ARG 7 58.876 40.777 37.051 51 HE ARG 7 HE ARG 7 59.446 38.542 35.494 52 HH11 ARG 7 HH11 ARG 7 59.995 42.027 35.158 53 HH12 ARG 7 HH12 ARG 7 61.237 41.747 33.962 54 HH21 ARG 7 HH21 ARG 7 61.093 38.370 33.910 55 HH22 ARG 7 HH22 ARG 7 61.830 39.821 33.331 56 H ARG 8 H ARG 8 56.163 35.685 34.878 57 HA ARG 8 HA ARG 8 53.766 35.501 33.160 58 HB2 ARG 8 HB2 ARG 8 54.107 33.133 33.129 59 HB3 ARG 8 HB3 ARG 8 55.486 34.074 32.548 60 HG2 ARG 8 HG2 ARG 8 56.596 33.596 34.810 61 HG3 ARG 8 HG3 ARG 8 55.234 32.569 35.205 62 HD2 ARG 8 HD2 ARG 8 57.043 31.184 34.430 63 HD3 ARG 8 HD3 ARG 8 55.734 31.075 33.268 64 HE ARG 8 HE ARG 8 57.276 33.100 32.193 65 HH11 ARG 8 HH11 ARG 8 58.164 29.691 33.049 66 HH12 ARG 8 HH12 ARG 8 59.653 29.956 32.151 67 HH21 ARG 8 HH21 ARG 8 59.131 33.000 30.999 68 HH22 ARG 8 HH22 ARG 8 60.226 31.692 31.278 69 H GLN 9 H GLN 9 52.903 36.835 35.139 70 HA GLN 9 HA GLN 9 50.993 34.969 36.448 71 HB2 GLN 9 HB2 GLN 9 52.210 37.395 37.784 72 HB3 GLN 9 HB3 GLN 9 50.853 36.445 38.404 73 HG2 GLN 9 HG2 GLN 9 53.632 35.296 37.983 74 HG3 GLN 9 HG3 GLN 9 53.001 35.987 39.492 75 HE21 GLN 9 HE22 GLN 9 52.480 33.285 37.201 76 HE22 GLN 9 HE21 GLN 9 51.729 32.242 38.411 77 H GLN 10 H GLN 10 48.888 35.876 36.593 78 HA GLN 10 HA GLN 10 48.288 36.780 34.065 79 HB2 GLN 10 HB2 GLN 10 45.974 36.963 34.730 80 HB3 GLN 10 HB3 GLN 10 46.744 35.440 35.233 81 HG2 GLN 10 HG2 GLN 10 46.927 36.441 37.565 82 HG3 GLN 10 HG3 GLN 10 45.888 37.767 36.959 83 HE21 GLN 10 HE22 GLN 10 43.681 37.139 36.238 84 HE22 GLN 10 HE21 GLN 10 42.961 35.651 36.840 85 H ALA 11 H ALA 11 48.174 38.973 36.934 86 HA ALA 11 HA ALA 11 48.672 41.224 35.126 87 HB1 ALA 11 HB1 ALA 11 46.751 42.521 35.771 88 HB2 ALA 11 HB2 ALA 11 46.154 40.958 35.151 89 HB3 ALA 11 HB3 ALA 11 46.209 41.271 36.909 90 H LEU 12 H LEU 12 48.563 43.359 36.206 91 HA LEU 12 HA LEU 12 50.163 43.428 38.690 92 HB2 LEU 12 HB2 LEU 12 49.647 45.680 36.688 93 HB3 LEU 12 HB3 LEU 12 50.853 45.672 37.962 94 HG LEU 12 HG LEU 12 50.796 43.956 35.477 95 HD11 LEU 12 HD11 LEU 12 51.569 46.364 35.113 96 HD12 LEU 12 HD12 LEU 12 52.849 46.065 36.304 97 HD13 LEU 12 HD13 LEU 12 52.798 45.137 34.790 98 HD21 LEU 12 HD21 LEU 12 52.955 44.101 37.643 99 HD22 LEU 12 HD22 LEU 12 51.875 42.721 37.382 100 HD23 LEU 12 HD23 LEU 12 53.041 43.186 36.121 101 H ALA 13 H ALA 13 49.583 44.451 40.482 102 HA ALA 13 HA ALA 13 47.475 46.447 40.647 103 HB1 ALA 13 HB1 ALA 13 46.968 43.646 41.766 104 HB2 ALA 13 HB2 ALA 13 46.077 45.086 42.274 105 HB3 ALA 13 HB3 ALA 13 46.001 44.555 40.581 106 H GLU 14 H GLU 14 49.093 44.035 42.774 107 HA GLU 14 HA GLU 14 49.579 44.180 44.960 108 HB2 GLU 14 HB2 GLU 14 51.104 46.336 43.619 109 HB3 GLU 14 HB3 GLU 14 50.957 46.575 45.357 110 HG2 GLU 14 HG2 GLU 14 51.635 44.076 45.551 111 HG3 GLU 14 HG3 GLU 14 51.946 44.150 43.806 112 H ALA 15 H ALA 15 46.938 45.762 44.101 113 HA ALA 15 HA ALA 15 46.258 46.386 46.874 114 HB1 ALA 15 HB1 ALA 15 45.456 48.648 46.372 115 HB2 ALA 15 HB2 ALA 15 47.189 48.562 46.031 116 HB3 ALA 15 HB3 ALA 15 46.007 48.474 44.689 117 H ASP 16 H ASP 16 44.139 46.994 47.174 118 HA ASP 16 HA ASP 16 42.193 45.523 45.503 119 HB2 ASP 16 HB2 ASP 16 42.684 45.468 48.507 120 HB3 ASP 16 HB3 ASP 16 41.092 45.171 47.870 121 H ARG 17 H ARG 17 42.859 48.481 47.388 122 HA ARG 17 HA ARG 17 40.187 49.622 46.646 123 HB2 ARG 17 HB2 ARG 17 41.953 50.336 49.014 124 HB3 ARG 17 HB3 ARG 17 40.487 51.191 48.491 125 HG2 ARG 17 HG2 ARG 17 39.349 48.838 48.728 126 HG3 ARG 17 HG3 ARG 17 40.768 48.486 49.738 127 HD2 ARG 17 HD2 ARG 17 40.253 50.501 51.124 128 HD3 ARG 17 HD3 ARG 17 38.918 50.920 50.097 129 HE ARG 17 HE ARG 17 38.932 48.834 52.188 130 HH11 ARG 17 HH11 ARG 17 37.133 49.895 49.282 131 HH12 ARG 17 HH12 ARG 17 35.724 49.030 49.821 132 HH21 ARG 17 HH21 ARG 17 37.145 47.970 52.763 133 HH22 ARG 17 HH22 ARG 17 35.746 47.887 51.715 134 H THR 18 H THR 18 43.396 49.616 45.796 135 HA THR 18 HA THR 18 43.359 52.493 44.949 136 HB THR 18 HB THR 18 45.942 51.129 45.584 137 HG1 THR 18 HG1 THR 18 45.651 52.203 47.581 138 HG21 THR 18 HG21 THR 18 45.031 54.043 45.865 139 HG22 THR 18 HG22 THR 18 46.692 53.442 45.747 140 HG23 THR 18 HG23 THR 18 45.638 53.442 44.328 141 H LEU 19 H LEU 19 43.899 52.960 42.861 142 HA LEU 19 HA LEU 19 44.081 50.718 40.947 143 HB2 LEU 19 HB2 LEU 19 42.373 52.628 40.781 144 HB3 LEU 19 HB3 LEU 19 43.727 53.695 40.478 145 HG LEU 19 HG LEU 19 44.295 52.595 38.411 146 HD11 LEU 19 HD11 LEU 19 42.961 50.787 37.408 147 HD12 LEU 19 HD12 LEU 19 43.786 50.230 38.849 148 HD13 LEU 19 HD13 LEU 19 42.041 50.588 38.912 149 HD21 LEU 19 HD21 LEU 19 42.610 54.286 38.316 150 HD22 LEU 19 HD22 LEU 19 42.240 53.011 37.126 151 HD23 LEU 19 HD23 LEU 19 41.317 53.110 38.645 152 H PHE 20 H PHE 20 45.860 50.214 39.832 153 HA PHE 20 HA PHE 20 48.300 51.737 40.377 154 HB2 PHE 20 HB2 PHE 20 48.306 49.258 40.477 155 HB3 PHE 20 HB3 PHE 20 47.975 49.169 38.769 156 HD1 PHE 20 HD1 PHE 20 49.629 50.118 37.085 157 HD2 PHE 20 HD2 PHE 20 50.576 49.816 41.274 158 HE1 PHE 20 HE1 PHE 20 52.016 50.548 36.577 159 HE2 PHE 20 HE2 PHE 20 52.993 50.162 40.733 160 HZ PHE 20 HZ PHE 20 53.696 50.539 38.390 161 H VAL 21 H VAL 21 49.201 53.219 39.000 162 HA VAL 21 HA VAL 21 48.368 53.205 36.129 163 HB VAL 21 HB VAL 21 49.134 55.714 37.648 164 HG11 VAL 21 HG11 VAL 21 47.477 55.365 35.136 165 HG12 VAL 21 HG12 VAL 21 48.252 56.849 35.765 166 HG13 VAL 21 HG13 VAL 21 49.230 55.558 35.052 167 HG21 VAL 21 HG21 VAL 21 47.005 54.884 38.674 168 HG22 VAL 21 HG22 VAL 21 46.703 56.298 37.670 169 HG23 VAL 21 HG23 VAL 21 46.314 54.674 37.060 170 H GLY 22 H GLY 22 50.087 52.994 34.738 171 HA2 GLY 22 HA2 GLY 22 52.880 53.591 35.623 172 HA3 GLY 22 HA3 GLY 22 52.524 52.096 34.843 173 H ASN 23 H ASN 23 54.206 53.241 33.566 174 HA ASN 23 HA ASN 23 55.006 54.061 31.614 175 HB2 ASN 23 HB2 ASN 23 52.791 52.904 30.805 176 HB3 ASN 23 HB3 ASN 23 52.190 54.536 30.646 177 HD21 ASN 23 HD21 ASN 23 51.952 54.372 28.485 178 HD22 ASN 23 HD22 ASN 23 53.248 54.072 27.329 179 H LEU 24 H LEU 24 54.286 55.793 33.912 180 HA LEU 24 HA LEU 24 53.078 58.294 33.087 181 HB2 LEU 24 HB2 LEU 24 54.842 57.591 35.441 182 HB3 LEU 24 HB3 LEU 24 54.159 59.171 35.137 183 HG LEU 24 HG LEU 24 53.156 57.419 36.855 184 HD11 LEU 24 HD11 LEU 24 51.679 59.459 35.252 185 HD12 LEU 24 HD12 LEU 24 50.799 58.418 36.413 186 HD13 LEU 24 HD13 LEU 24 52.106 59.424 36.984 187 HD21 LEU 24 HD21 LEU 24 52.755 55.718 35.165 188 HD22 LEU 24 HD22 LEU 24 51.280 56.144 36.067 189 HD23 LEU 24 HD23 LEU 24 51.498 56.723 34.404 190 H GLU 25 H GLU 25 53.852 60.163 32.572 191 HA GLU 25 HA GLU 25 56.274 60.338 31.290 192 HB2 GLU 25 HB2 GLU 25 54.078 62.082 32.304 193 HB3 GLU 25 HB3 GLU 25 55.535 62.998 31.805 194 HG2 GLU 25 HG2 GLU 25 55.305 62.405 29.620 195 HG3 GLU 25 HG3 GLU 25 54.475 60.892 29.925 196 H THR 26 H THR 26 57.985 61.975 31.592 197 HA THR 26 HA THR 26 59.373 61.377 34.038 198 HB THR 26 HB THR 26 61.292 62.114 33.007 199 HG1 THR 26 HG1 THR 26 59.809 63.696 31.226 200 HG21 THR 26 HG21 THR 26 61.352 61.230 30.853 201 HG22 THR 26 HG22 THR 26 60.086 60.321 31.707 202 HG23 THR 26 HG23 THR 26 59.623 61.577 30.540 203 H LYS 27 H LYS 27 57.746 64.264 32.824 204 HA LYS 27 HA LYS 27 58.283 65.725 35.347 205 HB2 LYS 27 HB2 LYS 27 58.780 66.797 33.111 206 HB3 LYS 27 HB3 LYS 27 57.028 66.802 32.794 207 HG2 LYS 27 HG2 LYS 27 58.068 68.946 33.560 208 HG3 LYS 27 HG3 LYS 27 56.615 68.388 34.411 209 HD2 LYS 27 HD2 LYS 27 58.231 69.367 35.896 210 HD3 LYS 27 HD3 LYS 27 57.989 67.640 36.282 211 HE2 LYS 27 HE2 LYS 27 60.139 67.055 35.380 212 HE3 LYS 27 HE3 LYS 27 60.224 68.564 34.458 213 HZ1 LYS 27 HZ1 LYS 27 61.661 68.692 36.338 214 HZ2 LYS 27 HZ2 LYS 27 60.474 69.755 36.527 215 HZ3 LYS 27 HZ3 LYS 27 60.449 68.372 37.395 216 H VAL 28 H VAL 28 56.179 63.386 34.850 217 HA VAL 28 HA VAL 28 53.713 64.634 35.275 218 HB VAL 28 HB VAL 28 54.143 62.229 34.618 219 HG11 VAL 28 HG11 VAL 28 54.418 61.904 37.651 220 HG12 VAL 28 HG12 VAL 28 53.753 60.637 36.628 221 HG13 VAL 28 HG13 VAL 28 55.426 61.225 36.361 222 HG21 VAL 28 HG21 VAL 28 51.877 63.335 35.209 223 HG22 VAL 28 HG22 VAL 28 51.951 61.580 35.272 224 HG23 VAL 28 HG23 VAL 28 52.022 62.515 36.776 225 H THR 29 H THR 29 52.256 64.438 37.151 226 HA THR 29 HA THR 29 53.282 64.697 39.842 227 HB THR 29 HB THR 29 52.309 66.915 40.242 228 HG1 THR 29 HG1 THR 29 52.383 67.206 37.496 229 HG21 THR 29 HG21 THR 29 54.551 67.126 38.191 230 HG22 THR 29 HG22 THR 29 54.246 68.144 39.633 231 HG23 THR 29 HG23 THR 29 54.783 66.441 39.806 232 H GLU 30 H GLU 30 51.537 65.094 41.366 233 HA GLU 30 HA GLU 30 49.265 63.514 40.958 234 HB2 GLU 30 HB2 GLU 30 49.764 65.800 42.911 235 HB3 GLU 30 HB3 GLU 30 48.498 64.586 43.111 236 HG2 GLU 30 HG2 GLU 30 50.453 62.829 42.997 237 HG3 GLU 30 HG3 GLU 30 51.518 64.216 43.248 238 H GLU 31 H GLU 31 49.689 66.979 40.392 239 HA GLU 31 HA GLU 31 46.957 67.703 39.962 240 HB2 GLU 31 HB2 GLU 31 49.646 68.704 38.975 241 HB3 GLU 31 HB3 GLU 31 48.122 69.633 38.823 242 HG2 GLU 31 HG2 GLU 31 47.850 69.368 41.319 243 HG3 GLU 31 HG3 GLU 31 49.498 68.709 41.379 244 H LEU 32 H LEU 32 49.410 66.257 37.827 245 HA LEU 32 HA LEU 32 47.872 66.781 35.416 246 HB2 LEU 32 HB2 LEU 32 50.354 66.590 35.297 247 HB3 LEU 32 HB3 LEU 32 50.272 64.936 35.880 248 HG LEU 32 HG LEU 32 49.161 64.178 33.866 249 HD11 LEU 32 HD11 LEU 32 48.730 65.916 31.966 250 HD12 LEU 32 HD12 LEU 32 47.639 66.029 33.344 251 HD13 LEU 32 HD13 LEU 32 48.994 67.161 33.194 252 HD21 LEU 32 HD21 LEU 32 51.728 64.767 33.632 253 HD22 LEU 32 HD22 LEU 32 50.736 64.460 32.204 254 HD23 LEU 32 HD23 LEU 32 51.128 66.128 32.648 255 H LEU 33 H LEU 33 48.428 64.134 37.644 256 HA LEU 33 HA LEU 33 46.691 62.175 36.440 257 HB2 LEU 33 HB2 LEU 33 47.611 62.622 39.284 258 HB3 LEU 33 HB3 LEU 33 46.833 61.143 38.748 259 HG LEU 33 HG LEU 33 49.543 62.237 37.852 260 HD11 LEU 33 HD11 LEU 33 48.880 59.685 39.320 261 HD12 LEU 33 HD12 LEU 33 50.501 60.373 38.975 262 HD13 LEU 33 HD13 LEU 33 49.414 61.208 40.083 263 HD21 LEU 33 HD21 LEU 33 48.305 61.032 35.934 264 HD22 LEU 33 HD22 LEU 33 49.914 60.536 36.339 265 HD23 LEU 33 HD23 LEU 33 48.538 59.546 36.884 266 H PHE 34 H PHE 34 45.961 64.467 39.213 267 HA PHE 34 HA PHE 34 43.372 63.472 39.547 268 HB2 PHE 34 HB2 PHE 34 44.712 65.048 41.101 269 HB3 PHE 34 HB3 PHE 34 44.289 66.359 40.034 270 HD1 PHE 34 HD2 PHE 34 43.019 64.026 42.628 271 HD2 PHE 34 HD1 PHE 34 42.146 67.455 40.211 272 HE1 PHE 34 HE2 PHE 34 40.773 64.162 43.655 273 HE2 PHE 34 HE1 PHE 34 39.934 67.679 41.358 274 HZ PHE 34 HZ PHE 34 39.131 65.853 42.843 275 H GLU 35 H GLU 35 44.561 65.922 37.316 276 HA GLU 35 HA GLU 35 41.937 66.553 36.269 277 HB2 GLU 35 HB2 GLU 35 42.843 67.969 34.816 278 HB3 GLU 35 HB3 GLU 35 43.862 68.135 36.255 279 HG2 GLU 35 HG2 GLU 35 45.711 67.044 35.146 280 HG3 GLU 35 HG3 GLU 35 44.705 66.653 33.741 281 H LEU 36 H LEU 36 44.418 64.233 35.045 282 HA LEU 36 HA LEU 36 42.926 63.520 32.688 283 HB2 LEU 36 HB2 LEU 36 45.198 63.240 32.791 284 HB3 LEU 36 HB3 LEU 36 45.192 62.397 34.328 285 HG LEU 36 HG LEU 36 43.773 61.126 31.984 286 HD11 LEU 36 HD11 LEU 36 46.758 61.314 32.459 287 HD12 LEU 36 HD12 LEU 36 45.964 60.051 31.440 288 HD13 LEU 36 HD13 LEU 36 45.899 61.781 30.994 289 HD21 LEU 36 HD21 LEU 36 43.804 60.031 34.264 290 HD22 LEU 36 HD22 LEU 36 44.734 59.068 33.096 291 HD23 LEU 36 HD23 LEU 36 45.577 60.109 34.251 292 H PHE 37 H PHE 37 42.970 62.165 36.038 293 HA PHE 37 HA PHE 37 40.938 60.231 35.282 294 HB2 PHE 37 HB2 PHE 37 42.217 60.716 37.966 295 HB3 PHE 37 HB3 PHE 37 41.147 59.371 37.512 296 HD1 PHE 37 HD2 PHE 37 41.758 58.051 35.370 297 HD2 PHE 37 HD1 PHE 37 44.542 60.276 37.777 298 HE1 PHE 37 HE2 PHE 37 43.619 56.556 34.605 299 HE2 PHE 37 HE1 PHE 37 46.380 58.769 37.050 300 HZ PHE 37 HZ PHE 37 45.888 56.860 35.521 301 H HIS 38 H HIS 38 40.638 63.479 36.362 302 HA HIS 38 HA HIS 38 38.089 63.705 37.555 303 HB2 HIS 38 HB2 HIS 38 39.691 65.571 36.769 304 HB3 HIS 38 HB3 HIS 38 39.186 65.179 35.123 305 HD2 HIS 38 HD2 HIS 38 37.793 66.727 38.361 306 HE1 HIS 38 HE1 HIS 38 35.104 67.628 35.175 307 HE2 HIS 38 HE2 HIS 38 35.638 68.059 37.623 308 H GLN 39 H GLN 39 38.891 62.861 34.236 309 HA GLN 39 HA GLN 39 36.172 62.782 33.205 310 HB2 GLN 39 HB2 GLN 39 38.715 61.464 32.258 311 HB3 GLN 39 HB3 GLN 39 37.276 61.760 31.281 312 HG2 GLN 39 HG2 GLN 39 37.728 64.168 31.191 313 HG3 GLN 39 HG3 GLN 39 38.915 64.054 32.483 314 HE21 GLN 39 HE22 GLN 39 40.945 64.312 31.751 315 HE22 GLN 39 HE21 GLN 39 41.546 63.680 30.212 316 H ALA 40 H ALA 40 38.225 60.503 35.001 317 HA ALA 40 HA ALA 40 36.874 58.187 33.822 318 HB1 ALA 40 HB1 ALA 40 39.346 58.209 34.044 319 HB2 ALA 40 HB2 ALA 40 39.184 58.278 35.809 320 HB3 ALA 40 HB3 ALA 40 38.565 56.868 34.915 321 H GLY 41 H GLY 41 36.190 60.142 36.308 322 HA2 GLY 41 HA2 GLY 41 33.996 59.788 37.368 323 HA3 GLY 41 HA3 GLY 41 34.472 58.128 37.702 324 HA PRO 42 HA PRO 42 35.064 60.738 41.605 325 HB2 PRO 42 HB2 PRO 42 34.442 57.923 42.555 326 HB3 PRO 42 HB3 PRO 42 34.039 59.503 43.299 327 HG2 PRO 42 HG2 PRO 42 32.160 58.286 41.786 328 HG3 PRO 42 HG3 PRO 42 32.546 60.039 41.546 329 HD2 PRO 42 HD2 PRO 42 33.634 57.624 40.025 330 HD3 PRO 42 HD3 PRO 42 32.800 59.048 39.330 331 H VAL 43 H VAL 43 37.034 61.126 42.212 332 HA VAL 43 HA VAL 43 39.009 58.927 42.525 333 HB VAL 43 HB VAL 43 39.477 61.687 41.368 334 HG11 VAL 43 HG11 VAL 43 41.115 61.587 43.073 335 HG12 VAL 43 HG12 VAL 43 41.395 59.859 42.839 336 HG13 VAL 43 HG13 VAL 43 41.927 61.033 41.595 337 HG21 VAL 43 HG21 VAL 43 40.587 60.423 39.626 338 HG22 VAL 43 HG22 VAL 43 40.387 58.891 40.522 339 HG23 VAL 43 HG23 VAL 43 38.983 59.711 39.855 340 H ILE 44 H ILE 44 39.942 58.918 44.558 341 HA ILE 44 HA ILE 44 38.530 60.617 46.552 342 HB ILE 44 HB ILE 44 39.933 57.935 46.781 343 HG12 ILE 44 HG12 ILE 44 37.001 58.689 47.132 344 HG13 ILE 44 HG13 ILE 44 37.649 57.948 45.696 345 HG21 ILE 44 HG21 ILE 44 38.579 59.557 49.002 346 HG22 ILE 44 HG22 ILE 44 39.375 57.962 49.172 347 HG23 ILE 44 HG23 ILE 44 40.311 59.396 48.843 348 HD11 ILE 44 HD11 ILE 44 37.846 56.518 48.373 349 HD12 ILE 44 HD12 ILE 44 36.597 56.257 47.142 350 HD13 ILE 44 HD13 ILE 44 38.301 55.948 46.759 351 H LYS 45 H LYS 45 41.713 59.417 45.670 352 HA LYS 45 HA LYS 45 43.060 61.885 46.202 353 HB2 LYS 45 HB2 LYS 45 44.700 61.242 47.706 354 HB3 LYS 45 HB3 LYS 45 43.138 61.024 48.486 355 HG2 LYS 45 HG2 LYS 45 44.529 58.610 47.229 356 HG3 LYS 45 HG3 LYS 45 45.233 59.338 48.661 357 HD2 LYS 45 HD2 LYS 45 42.345 58.413 48.606 358 HD3 LYS 45 HD3 LYS 45 43.715 57.429 49.147 359 HE2 LYS 45 HE2 LYS 45 43.711 60.181 50.244 360 HE3 LYS 45 HE3 LYS 45 42.289 59.241 50.724 361 HZ1 LYS 45 HZ1 LYS 45 45.138 58.741 51.254 362 HZ2 LYS 45 HZ2 LYS 45 43.897 58.861 52.288 363 HZ3 LYS 45 HZ3 LYS 45 44.051 57.517 51.383 364 H VAL 46 H VAL 46 45.150 61.904 45.280 365 HA VAL 46 HA VAL 46 45.884 59.623 43.530 366 HB VAL 46 HB VAL 46 46.707 62.574 43.574 367 HG11 VAL 46 HG11 VAL 46 47.282 60.534 41.438 368 HG12 VAL 46 HG12 VAL 46 47.596 62.311 41.420 369 HG13 VAL 46 HG13 VAL 46 48.490 61.284 42.526 370 HG21 VAL 46 HG21 VAL 46 44.838 61.043 41.679 371 HG22 VAL 46 HG22 VAL 46 44.322 62.186 42.927 372 HG23 VAL 46 HG23 VAL 46 45.279 62.764 41.560 373 H LYS 47 H LYS 47 48.080 59.056 43.355 374 HA LYS 47 HA LYS 47 49.977 59.984 45.414 375 HB2 LYS 47 HB2 LYS 47 49.164 57.855 46.283 376 HB3 LYS 47 HB3 LYS 47 49.197 57.119 44.697 377 HG2 LYS 47 HG2 LYS 47 50.960 56.218 46.089 378 HG3 LYS 47 HG3 LYS 47 51.611 57.008 44.667 379 HD2 LYS 47 HD2 LYS 47 52.154 59.041 46.113 380 HD3 LYS 47 HD3 LYS 47 51.579 58.101 47.504 381 HE2 LYS 47 HE2 LYS 47 53.234 56.275 46.681 382 HE3 LYS 47 HE3 LYS 47 53.920 57.494 45.605 383 HZ1 LYS 47 HZ1 LYS 47 53.793 57.807 48.509 384 HZ2 LYS 47 HZ2 LYS 47 55.044 57.198 47.723 385 HZ3 LYS 47 HZ3 LYS 47 54.589 58.781 47.473 386 H ILE 48 H ILE 48 51.673 60.839 44.593 387 HA ILE 48 HA ILE 48 52.964 59.687 42.172 388 HB ILE 48 HB ILE 48 52.958 62.419 43.398 389 HG12 ILE 48 HG12 ILE 48 51.493 61.626 41.468 390 HG13 ILE 48 HG13 ILE 48 52.477 63.090 41.178 391 HG21 ILE 48 HG21 ILE 48 55.240 61.236 41.824 392 HG22 ILE 48 HG22 ILE 48 54.861 62.968 41.686 393 HG23 ILE 48 HG23 ILE 48 55.335 62.301 43.243 394 HD11 ILE 48 HD11 ILE 48 53.217 60.316 40.151 395 HD12 ILE 48 HD12 ILE 48 52.380 61.592 39.235 396 HD13 ILE 48 HD13 ILE 48 54.034 61.859 39.821 397 HA PRO 49 HA PRO 49 56.238 58.397 45.111 398 HB2 PRO 49 HB2 PRO 49 57.563 56.852 43.234 399 HB3 PRO 49 HB3 PRO 49 56.201 56.240 44.232 400 HG2 PRO 49 HG2 PRO 49 56.219 57.255 41.394 401 HG3 PRO 49 HG3 PRO 49 55.322 55.851 42.070 402 HD2 PRO 49 HD2 PRO 49 54.155 58.240 41.579 403 HD3 PRO 49 HD3 PRO 49 53.662 57.270 43.002 404 H LYS 50 H LYS 50 58.573 58.455 44.908 405 HA LYS 50 HA LYS 50 59.827 60.138 42.906 406 HB2 LYS 50 HB2 LYS 50 58.891 61.144 45.569 407 HB3 LYS 50 HB3 LYS 50 60.441 61.743 45.019 408 HG2 LYS 50 HG2 LYS 50 58.683 61.870 42.743 409 HG3 LYS 50 HG3 LYS 50 57.745 62.495 44.102 410 HD2 LYS 50 HD2 LYS 50 59.285 64.280 44.431 411 HD3 LYS 50 HD3 LYS 50 60.493 63.527 43.355 412 HE2 LYS 50 HE2 LYS 50 58.734 63.636 41.501 413 HE3 LYS 50 HE3 LYS 50 57.763 64.633 42.574 414 HZ1 LYS 50 HZ1 LYS 50 60.533 65.265 41.717 415 HZ2 LYS 50 HZ2 LYS 50 59.158 65.948 41.150 416 HZ3 LYS 50 HZ3 LYS 50 59.551 66.195 42.672 417 H ASP 51 H ASP 51 61.419 58.839 42.623 418 HA ASP 51 HA ASP 51 63.169 57.209 44.139 419 HB2 ASP 51 HB2 ASP 51 62.926 57.409 41.627 420 HB3 ASP 51 HB3 ASP 51 63.739 58.985 41.756 421 H LYS 52 H LYS 52 65.604 57.556 44.419 422 HA LYS 52 HA LYS 52 66.278 59.702 46.073 423 HB2 LYS 52 HB2 LYS 52 68.605 59.118 45.641 424 HB3 LYS 52 HB3 LYS 52 67.604 57.702 45.964 425 HG2 LYS 52 HG2 LYS 52 68.613 56.788 44.156 426 HG3 LYS 52 HG3 LYS 52 67.570 57.823 43.174 427 HD2 LYS 52 HD2 LYS 52 69.304 59.491 42.971 428 HD3 LYS 52 HD3 LYS 52 70.318 58.667 44.174 429 HE2 LYS 52 HE2 LYS 52 70.406 56.646 42.695 430 HE3 LYS 52 HE3 LYS 52 69.394 57.473 41.512 431 HZ1 LYS 52 HZ1 LYS 52 71.519 57.727 40.731 432 HZ2 LYS 52 HZ2 LYS 52 71.351 59.157 41.481 433 HZ3 LYS 52 HZ3 LYS 52 72.222 57.905 42.116 434 H ASP 53 H ASP 53 66.154 59.645 42.555 435 HA ASP 53 HA ASP 53 67.365 62.267 42.295 436 HB2 ASP 53 HB2 ASP 53 67.377 60.104 40.733 437 HB3 ASP 53 HB3 ASP 53 65.810 60.720 40.209 438 H GLY 54 H GLY 54 64.336 61.409 43.355 439 HA2 GLY 54 HA2 GLY 54 62.383 62.486 43.603 440 HA3 GLY 54 HA3 GLY 54 63.046 63.925 42.806 441 H LYS 55 H LYS 55 62.651 60.591 41.517 442 HA LYS 55 HA LYS 55 60.816 61.659 39.419 443 HB2 LYS 55 HB2 LYS 55 63.114 60.838 38.765 444 HB3 LYS 55 HB3 LYS 55 62.510 59.182 39.124 445 HG2 LYS 55 HG2 LYS 55 62.275 59.406 36.796 446 HG3 LYS 55 HG3 LYS 55 60.663 59.603 37.449 447 HD2 LYS 55 HD2 LYS 55 60.902 61.209 35.794 448 HD3 LYS 55 HD3 LYS 55 61.078 62.148 37.285 449 HE2 LYS 55 HE2 LYS 55 63.565 61.948 37.109 450 HE3 LYS 55 HE3 LYS 55 63.417 61.181 35.546 451 HZ1 LYS 55 HZ1 LYS 55 62.176 63.309 34.873 452 HZ2 LYS 55 HZ2 LYS 55 62.723 63.947 36.257 453 HZ3 LYS 55 HZ3 LYS 55 63.765 63.437 35.144 454 HA PRO 56 HA PRO 56 57.947 58.738 41.010 455 HB2 PRO 56 HB2 PRO 56 56.014 58.844 39.013 456 HB3 PRO 56 HB3 PRO 56 56.181 60.084 40.309 457 HG2 PRO 56 HG2 PRO 56 57.158 60.124 37.486 458 HG3 PRO 56 HG3 PRO 56 56.527 61.512 38.466 459 HD2 PRO 56 HD2 PRO 56 59.251 61.131 38.060 460 HD3 PRO 56 HD3 PRO 56 58.572 61.873 39.507 461 H LYS 57 H LYS 57 60.099 57.852 39.019 462 HA LYS 57 HA LYS 57 60.726 55.824 37.912 463 HB2 LYS 57 HB2 LYS 57 58.695 54.690 39.862 464 HB3 LYS 57 HB3 LYS 57 60.053 53.829 39.140 465 HG2 LYS 57 HG2 LYS 57 61.089 54.233 41.062 466 HG3 LYS 57 HG3 LYS 57 61.346 55.894 40.463 467 HD2 LYS 57 HD2 LYS 57 59.271 56.613 41.577 468 HD3 LYS 57 HD3 LYS 57 58.993 54.942 42.130 469 HE2 LYS 57 HE2 LYS 57 61.620 56.255 42.781 470 HE3 LYS 57 HE3 LYS 57 60.159 56.781 43.659 471 HZ1 LYS 57 HZ1 LYS 57 59.758 54.602 44.359 472 HZ2 LYS 57 HZ2 LYS 57 60.958 53.974 43.468 473 HZ3 LYS 57 HZ3 LYS 57 61.349 54.880 44.712 474 H GLN 58 H GLN 58 58.333 57.295 36.722 475 HA GLN 58 HA GLN 58 56.876 57.111 35.135 476 HB2 GLN 58 HB2 GLN 58 58.344 54.598 34.375 477 HB3 GLN 58 HB3 GLN 58 57.007 55.356 33.482 478 HG2 GLN 58 HG2 GLN 58 58.656 57.495 33.634 479 HG3 GLN 58 HG3 GLN 58 59.879 56.251 33.887 480 HE21 GLN 58 HE22 GLN 58 57.559 57.706 31.840 481 HE22 GLN 58 HE21 GLN 58 57.575 56.637 30.512 482 H PHE 59 H PHE 59 55.942 56.337 37.672 483 HA PHE 59 HA PHE 59 53.551 54.893 36.944 484 HB2 PHE 59 HB2 PHE 59 53.625 52.976 37.934 485 HB3 PHE 59 HB3 PHE 59 55.301 53.089 37.431 486 HD1 PHE 59 HD1 PHE 59 52.893 52.956 40.164 487 HD2 PHE 59 HD2 PHE 59 57.062 53.434 39.200 488 HE1 PHE 59 HE1 PHE 59 53.457 52.754 42.563 489 HE2 PHE 59 HE2 PHE 59 57.617 53.336 41.613 490 HZ PHE 59 HZ PHE 59 55.839 52.912 43.291 491 H ALA 60 H ALA 60 52.053 54.809 38.778 492 HA ALA 60 HA ALA 60 52.363 56.640 41.039 493 HB1 ALA 60 HB1 ALA 60 50.586 57.233 38.660 494 HB2 ALA 60 HB2 ALA 60 50.437 58.031 40.263 495 HB3 ALA 60 HB3 ALA 60 51.901 58.252 39.319 496 H PHE 61 H PHE 61 49.994 56.803 42.104 497 HA PHE 61 HA PHE 61 48.192 54.547 41.413 498 HB2 PHE 61 HB2 PHE 61 49.422 55.137 44.129 499 HB3 PHE 61 HB3 PHE 61 47.788 54.517 44.015 500 HD1 PHE 61 HD1 PHE 61 47.444 52.112 43.130 501 HD2 PHE 61 HD2 PHE 61 51.332 53.751 44.075 502 HE1 PHE 61 HE1 PHE 61 48.365 49.827 43.429 503 HE2 PHE 61 HE2 PHE 61 52.237 51.465 44.278 504 HZ PHE 61 HZ PHE 61 50.745 49.494 43.921 505 H VAL 62 H VAL 62 45.998 54.861 42.017 506 HA VAL 62 HA VAL 62 45.239 57.569 42.976 507 HB VAL 62 HB VAL 62 44.066 56.238 40.491 508 HG11 VAL 62 HG11 VAL 62 43.045 58.658 40.355 509 HG12 VAL 62 HG12 VAL 62 42.325 57.509 41.482 510 HG13 VAL 62 HG13 VAL 62 43.482 58.751 42.069 511 HG21 VAL 62 HG21 VAL 62 44.954 58.343 39.359 512 HG22 VAL 62 HG22 VAL 62 45.833 58.686 40.862 513 HG23 VAL 62 HG23 VAL 62 46.218 57.232 39.882 514 H ASN 63 H ASN 63 43.612 57.448 44.508 515 HA ASN 63 HA ASN 63 42.435 54.829 45.178 516 HB2 ASN 63 HB2 ASN 63 43.487 56.605 46.787 517 HB3 ASN 63 HB3 ASN 63 41.922 57.408 46.622 518 HD21 ASN 63 HD22 ASN 63 43.664 54.522 47.731 519 HD22 ASN 63 HD21 ASN 63 42.376 53.868 48.681 520 H PHE 64 H PHE 64 40.071 54.462 45.167 521 HA PHE 64 HA PHE 64 38.458 56.249 43.480 522 HB2 PHE 64 HB2 PHE 64 38.320 54.878 41.612 523 HB3 PHE 64 HB3 PHE 64 39.987 55.224 41.843 524 HD1 PHE 64 HD1 PHE 64 41.357 53.171 43.226 525 HD2 PHE 64 HD2 PHE 64 37.645 52.847 41.075 526 HE1 PHE 64 HE1 PHE 64 41.809 50.747 42.755 527 HE2 PHE 64 HE2 PHE 64 38.303 50.572 40.300 528 HZ PHE 64 HZ PHE 64 40.453 49.590 41.048 529 H LYS 65 H LYS 65 36.292 54.928 42.848 530 HA LYS 65 HA LYS 65 35.445 54.407 45.612 531 HB2 LYS 65 HB2 LYS 65 34.804 56.396 44.482 532 HB3 LYS 65 HB3 LYS 65 33.924 55.528 43.238 533 HG2 LYS 65 HG2 LYS 65 32.446 54.644 45.192 534 HG3 LYS 65 HG3 LYS 65 33.324 55.817 46.204 535 HD2 LYS 65 HD2 LYS 65 32.698 57.596 44.477 536 HD3 LYS 65 HD3 LYS 65 31.653 56.392 43.724 537 HE2 LYS 65 HE2 LYS 65 30.409 56.165 45.917 538 HE3 LYS 65 HE3 LYS 65 31.402 57.477 46.567 539 HZ1 LYS 65 HZ1 LYS 65 29.227 58.184 45.703 540 HZ2 LYS 65 HZ2 LYS 65 30.420 58.949 44.989 541 HZ3 LYS 65 HZ3 LYS 65 29.663 57.735 44.184 542 H HIS 66 H HIS 66 36.454 52.213 45.124 543 HA HIS 66 HA HIS 66 36.213 49.962 44.870 544 HB2 HIS 66 HB2 HIS 66 34.778 50.581 46.814 545 HB3 HIS 66 HB3 HIS 66 33.356 50.500 45.758 546 HD2 HIS 66 HD2 HIS 66 36.463 48.484 46.790 547 HE1 HIS 66 HE1 HIS 66 33.539 45.594 45.706 548 HE2 HIS 66 HE2 HIS 66 35.950 45.942 46.458 549 H GLU 67 H GLU 67 36.301 51.147 42.466 550 HA GLU 67 HA GLU 67 33.977 50.380 40.879 551 HB2 GLU 67 HB2 GLU 67 35.147 52.611 40.570 552 HB3 GLU 67 HB3 GLU 67 36.472 51.745 39.777 553 HG2 GLU 67 HG2 GLU 67 34.921 50.880 38.103 554 HG3 GLU 67 HG3 GLU 67 33.585 51.711 38.926 555 H VAL 68 H VAL 68 34.609 48.014 41.602 556 HA VAL 68 HA VAL 68 36.991 46.896 40.408 557 HB VAL 68 HB VAL 68 36.444 44.798 41.491 558 HG11 VAL 68 HG11 VAL 68 36.107 47.267 43.226 559 HG12 VAL 68 HG12 VAL 68 36.606 45.653 43.788 560 HG13 VAL 68 HG13 VAL 68 37.632 46.542 42.651 561 HG21 VAL 68 HG21 VAL 68 34.050 44.696 41.293 562 HG22 VAL 68 HG22 VAL 68 34.558 44.596 42.986 563 HG23 VAL 68 HG23 VAL 68 33.839 46.110 42.340 564 H SER 69 H SER 69 33.680 46.541 39.218 565 HA SER 69 HA SER 69 34.506 44.432 37.346 566 HB2 SER 69 HB2 SER 69 31.961 46.077 37.208 567 HB3 SER 69 HB3 SER 69 32.292 44.487 36.492 568 HG SER 69 HG SER 69 31.187 44.451 38.475 569 H VAL 70 H VAL 70 36.378 45.700 36.811 570 HA VAL 70 HA VAL 70 37.703 46.695 35.245 571 HB VAL 70 HB VAL 70 35.181 47.506 33.762 572 HG11 VAL 70 HG11 VAL 70 37.014 48.771 32.930 573 HG12 VAL 70 HG12 VAL 70 38.061 47.323 32.861 574 HG13 VAL 70 HG13 VAL 70 36.646 47.489 31.784 575 HG21 VAL 70 HG21 VAL 70 35.403 44.956 34.054 576 HG22 VAL 70 HG22 VAL 70 35.270 45.626 32.432 577 HG23 VAL 70 HG23 VAL 70 36.859 45.089 33.039 578 HA PRO 71 HA PRO 71 37.454 50.884 37.098 579 HB2 PRO 71 HB2 PRO 71 39.980 51.764 36.508 580 HB3 PRO 71 HB3 PRO 71 39.624 50.701 37.901 581 HG2 PRO 71 HG2 PRO 71 40.713 50.013 35.169 582 HG3 PRO 71 HG3 PRO 71 41.198 49.324 36.739 583 HD2 PRO 71 HD2 PRO 71 39.516 48.056 35.002 584 HD3 PRO 71 HD3 PRO 71 39.344 47.871 36.791 585 H TYR 72 H TYR 72 36.674 52.710 35.981 586 HA TYR 72 HA TYR 72 36.223 52.379 33.243 587 HB2 TYR 72 HB2 TYR 72 34.861 53.638 34.899 588 HB3 TYR 72 HB3 TYR 72 36.043 54.942 34.819 589 HD1 TYR 72 HD2 TYR 72 34.137 52.753 32.349 590 HD2 TYR 72 HD1 TYR 72 35.590 56.674 33.377 591 HE1 TYR 72 HE2 TYR 72 33.470 53.598 30.092 592 HE2 TYR 72 HE1 TYR 72 34.670 57.570 31.260 593 HH TYR 72 HH TYR 72 33.651 57.009 29.321 594 H ALA 73 H ALA 73 38.787 54.290 34.804 595 HA ALA 73 HA ALA 73 39.825 55.751 32.642 596 HB1 ALA 73 HB1 ALA 73 41.432 54.351 34.774 597 HB2 ALA 73 HB2 ALA 73 41.807 55.830 33.817 598 HB3 ALA 73 HB3 ALA 73 40.564 55.869 35.084 599 H MET 74 H MET 74 40.288 52.203 33.329 600 HA MET 74 HA MET 74 42.546 51.840 31.601 601 HB2 MET 74 HB2 MET 74 42.042 49.537 31.432 602 HB3 MET 74 HB3 MET 74 41.833 50.014 33.115 603 HG2 MET 74 HG2 MET 74 39.967 48.687 32.869 604 HG3 MET 74 HG3 MET 74 39.221 50.101 32.138 605 HE1 MET 74 HE1 MET 74 40.731 46.455 29.675 606 HE2 MET 74 HE2 MET 74 41.759 47.286 30.837 607 HE3 MET 74 HE3 MET 74 40.334 46.350 31.396 608 H ASN 75 H ASN 75 39.275 52.326 30.999 609 HA ASN 75 HA ASN 75 39.342 51.587 28.124 610 HB2 ASN 75 HB2 ASN 75 37.682 50.599 29.544 611 HB3 ASN 75 HB3 ASN 75 37.183 52.123 30.238 612 HD21 ASN 75 HD22 ASN 75 36.041 53.759 28.960 613 HD22 ASN 75 HD21 ASN 75 35.223 53.188 27.502 614 H LEU 76 H LEU 76 38.583 54.340 30.273 615 HA LEU 76 HA LEU 76 37.848 56.086 28.240 616 HB2 LEU 76 HB2 LEU 76 37.560 56.122 30.835 617 HB3 LEU 76 HB3 LEU 76 39.120 56.952 30.830 618 HG LEU 76 HG LEU 76 36.426 57.685 29.632 619 HD11 LEU 76 HD11 LEU 76 36.832 58.223 31.884 620 HD12 LEU 76 HD12 LEU 76 38.333 59.119 31.491 621 HD13 LEU 76 HD13 LEU 76 36.746 59.695 30.879 622 HD21 LEU 76 HD21 LEU 76 37.965 58.305 27.802 623 HD22 LEU 76 HD22 LEU 76 37.299 59.702 28.613 624 HD23 LEU 76 HD23 LEU 76 38.980 59.194 28.969 625 H LEU 77 H LEU 77 40.984 55.990 30.057 626 HA LEU 77 HA LEU 77 42.235 57.830 28.088 627 HB2 LEU 77 HB2 LEU 77 43.491 56.848 30.667 628 HB3 LEU 77 HB3 LEU 77 44.003 58.159 29.605 629 HG LEU 77 HG LEU 77 43.322 59.132 31.462 630 HD11 LEU 77 HD11 LEU 77 42.230 60.501 29.732 631 HD12 LEU 77 HD12 LEU 77 40.965 59.304 29.499 632 HD13 LEU 77 HD13 LEU 77 41.030 60.293 30.980 633 HD21 LEU 77 HD21 LEU 77 41.028 57.237 31.685 634 HD22 LEU 77 HD22 LEU 77 42.447 57.522 32.721 635 HD23 LEU 77 HD23 LEU 77 41.187 58.749 32.650 636 H ASN 78 H ASN 78 43.638 55.033 29.792 637 HA ASN 78 HA ASN 78 45.606 53.925 28.930 638 HB2 ASN 78 HB2 ASN 78 43.814 52.481 29.412 639 HB3 ASN 78 HB3 ASN 78 42.875 52.977 28.041 640 HD21 ASN 78 HD22 ASN 78 45.719 51.075 28.952 641 HD22 ASN 78 HD21 ASN 78 45.831 50.166 27.436 642 H GLY 79 H GLY 79 46.696 55.633 27.716 643 HA2 GLY 79 HA2 GLY 79 48.112 55.215 25.651 644 HA3 GLY 79 HA3 GLY 79 46.645 55.096 24.738 645 H ILE 80 H ILE 80 46.889 57.600 27.143 646 HA ILE 80 HA ILE 80 47.149 59.809 25.118 647 HB ILE 80 HB ILE 80 45.307 60.992 26.042 648 HG12 ILE 80 HG12 ILE 80 43.977 59.355 27.859 649 HG13 ILE 80 HG13 ILE 80 45.665 59.258 28.361 650 HG21 ILE 80 HG21 ILE 80 44.367 58.114 25.934 651 HG22 ILE 80 HG22 ILE 80 43.500 59.563 25.321 652 HG23 ILE 80 HG23 ILE 80 44.903 58.917 24.467 653 HD11 ILE 80 HD11 ILE 80 44.186 61.892 27.844 654 HD12 ILE 80 HD12 ILE 80 44.269 61.133 29.434 655 HD13 ILE 80 HD13 ILE 80 45.752 61.703 28.658 656 H LYS 81 H LYS 81 47.674 61.913 26.019 657 HA LYS 81 HA LYS 81 48.836 62.184 28.584 658 HB2 LYS 81 HB2 LYS 81 51.268 62.183 27.666 659 HB3 LYS 81 HB3 LYS 81 50.483 60.683 28.141 660 HG2 LYS 81 HG2 LYS 81 51.759 60.340 26.136 661 HG3 LYS 81 HG3 LYS 81 50.039 60.143 25.761 662 HD2 LYS 81 HD2 LYS 81 49.949 62.262 24.659 663 HD3 LYS 81 HD3 LYS 81 51.629 62.647 25.144 664 HE2 LYS 81 HE2 LYS 81 52.434 60.671 23.882 665 HE3 LYS 81 HE3 LYS 81 50.780 60.180 23.553 666 HZ1 LYS 81 HZ1 LYS 81 50.485 62.330 22.399 667 HZ2 LYS 81 HZ2 LYS 81 52.062 62.611 22.500 668 HZ3 LYS 81 HZ3 LYS 81 51.522 61.352 21.613 669 H LEU 82 H LEU 82 50.800 63.985 28.248 670 HA LEU 82 HA LEU 82 50.089 66.084 26.255 671 HB2 LEU 82 HB2 LEU 82 49.997 66.406 29.282 672 HB3 LEU 82 HB3 LEU 82 49.976 67.785 28.185 673 HG LEU 82 HG LEU 82 47.844 65.657 28.412 674 HD11 LEU 82 HD11 LEU 82 47.695 68.622 29.123 675 HD12 LEU 82 HD12 LEU 82 46.544 67.318 29.490 676 HD13 LEU 82 HD13 LEU 82 48.127 67.366 30.289 677 HD21 LEU 82 HD21 LEU 82 47.819 66.460 26.103 678 HD22 LEU 82 HD22 LEU 82 46.495 67.214 26.991 679 HD23 LEU 82 HD23 LEU 82 47.964 68.149 26.635 680 H TYR 83 H TYR 83 52.613 64.584 28.042 681 HA TYR 83 HA TYR 83 54.612 66.701 27.347 682 HB2 TYR 83 HB2 TYR 83 54.188 64.659 29.526 683 HB3 TYR 83 HB3 TYR 83 55.804 64.959 29.112 684 HD1 TYR 83 HD1 TYR 83 56.180 67.856 29.033 685 HD2 TYR 83 HD2 TYR 83 53.260 65.584 31.229 686 HE1 TYR 83 HE1 TYR 83 56.271 69.523 30.902 687 HE2 TYR 83 HE2 TYR 83 53.291 67.315 33.058 688 HH TYR 83 HH TYR 83 55.346 70.119 32.908 689 H GLY 84 H GLY 84 54.114 63.171 27.354 690 HA2 GLY 84 HA2 GLY 84 54.799 62.802 24.665 691 HA3 GLY 84 HA3 GLY 84 56.251 62.483 25.578 692 H ARG 85 H ARG 85 54.755 61.185 27.965 693 HA ARG 85 HA ARG 85 54.630 58.517 26.642 694 HB2 ARG 85 HB2 ARG 85 55.092 59.038 29.570 695 HB3 ARG 85 HB3 ARG 85 55.057 57.534 28.669 696 HG2 ARG 85 HG2 ARG 85 57.311 57.836 28.817 697 HG3 ARG 85 HG3 ARG 85 56.932 58.424 27.205 698 HD2 ARG 85 HD2 ARG 85 56.918 60.771 28.148 699 HD3 ARG 85 HD3 ARG 85 57.589 60.167 29.649 700 HE ARG 85 HE ARG 85 58.963 60.722 27.197 701 HH11 ARG 85 HH11 ARG 85 59.217 58.073 29.610 702 HH12 ARG 85 HH12 ARG 85 60.955 58.310 29.622 703 HH21 ARG 85 HH21 ARG 85 61.254 60.766 27.425 704 HH22 ARG 85 HH22 ARG 85 61.972 59.504 28.374 705 HA PRO 86 HA PRO 86 50.206 58.748 27.365 706 HB2 PRO 86 HB2 PRO 86 49.561 56.347 26.341 707 HB3 PRO 86 HB3 PRO 86 50.055 57.800 25.331 708 HG2 PRO 86 HG2 PRO 86 51.815 55.518 26.197 709 HG3 PRO 86 HG3 PRO 86 51.546 56.113 24.517 710 HD2 PRO 86 HD2 PRO 86 53.607 57.048 25.852 711 HD3 PRO 86 HD3 PRO 86 52.552 58.257 25.062 712 H ILE 87 H ILE 87 49.079 58.364 29.138 713 HA ILE 87 HA ILE 87 50.138 56.783 31.257 714 HB ILE 87 HB ILE 87 47.518 58.203 30.725 715 HG12 ILE 87 HG12 ILE 87 49.312 59.631 31.260 716 HG13 ILE 87 HG13 ILE 87 48.162 59.642 32.601 717 HG21 ILE 87 HG21 ILE 87 47.933 56.597 33.257 718 HG22 ILE 87 HG22 ILE 87 46.691 57.831 32.953 719 HG23 ILE 87 HG23 ILE 87 46.719 56.363 31.963 720 HD11 ILE 87 HD11 ILE 87 50.713 58.025 32.726 721 HD12 ILE 87 HD12 ILE 87 50.577 59.738 33.171 722 HD13 ILE 87 HD13 ILE 87 49.614 58.518 34.044 723 H LYS 88 H LYS 88 50.087 54.768 31.691 724 HA LYS 88 HA LYS 88 48.098 53.031 30.371 725 HB2 LYS 88 HB2 LYS 88 50.438 52.533 29.704 726 HB3 LYS 88 HB3 LYS 88 50.895 52.279 31.387 727 HG2 LYS 88 HG2 LYS 88 50.537 50.179 30.164 728 HG3 LYS 88 HG3 LYS 88 49.500 50.373 31.588 729 HD2 LYS 88 HD2 LYS 88 47.600 50.911 30.293 730 HD3 LYS 88 HD3 LYS 88 48.513 51.004 28.772 731 HE2 LYS 88 HE2 LYS 88 48.681 48.512 30.463 732 HE3 LYS 88 HE3 LYS 88 47.147 48.815 29.631 733 HZ1 LYS 88 HZ1 LYS 88 48.926 47.406 28.490 734 HZ2 LYS 88 HZ2 LYS 88 48.195 48.522 27.583 735 HZ3 LYS 88 HZ3 LYS 88 49.683 48.793 28.101 736 H ILE 89 H ILE 89 46.420 52.620 31.716 737 HA ILE 89 HA ILE 89 46.771 52.454 34.665 738 HB ILE 89 HB ILE 89 44.250 52.146 32.994 739 HG12 ILE 89 HG12 ILE 89 43.762 54.454 34.208 740 HG13 ILE 89 HG13 ILE 89 45.507 54.641 34.238 741 HG21 ILE 89 HG21 ILE 89 44.589 52.756 35.933 742 HG22 ILE 89 HG22 ILE 89 43.084 52.273 35.071 743 HG23 ILE 89 HG23 ILE 89 44.342 51.102 35.353 744 HD11 ILE 89 HD11 ILE 89 43.738 54.374 31.786 745 HD12 ILE 89 HD12 ILE 89 44.569 55.820 32.386 746 HD13 ILE 89 HD13 ILE 89 45.523 54.481 31.734 747 H GLN 90 H GLN 90 46.750 50.582 35.846 748 HA GLN 90 HA GLN 90 46.167 48.007 34.508 749 HB2 GLN 90 HB2 GLN 90 48.684 48.743 36.009 750 HB3 GLN 90 HB3 GLN 90 48.146 47.069 35.766 751 HG2 GLN 90 HG2 GLN 90 48.730 49.100 33.573 752 HG3 GLN 90 HG3 GLN 90 49.938 47.955 34.275 753 HE21 GLN 90 HE22 GLN 90 46.810 48.081 32.528 754 HE22 GLN 90 HE21 GLN 90 47.070 46.505 31.776 755 H PHE 91 H PHE 91 45.515 46.475 35.716 756 HA PHE 91 HA PHE 91 45.020 46.617 38.592 757 HB2 PHE 91 HB2 PHE 91 42.735 47.166 38.650 758 HB3 PHE 91 HB3 PHE 91 43.279 48.203 37.352 759 HD1 PHE 91 HD1 PHE 91 42.935 47.544 34.935 760 HD2 PHE 91 HD2 PHE 91 41.118 45.470 38.247 761 HE1 PHE 91 HE1 PHE 91 41.476 46.333 33.364 762 HE2 PHE 91 HE2 PHE 91 39.508 44.396 36.684 763 HZ PHE 91 HZ PHE 91 39.682 44.796 34.257 764 H ARG 92 H ARG 92 43.566 44.795 39.404 765 HA ARG 92 HA ARG 92 43.603 42.341 37.721 766 HB2 ARG 92 HB2 ARG 92 45.553 42.485 39.354 767 HB3 ARG 92 HB3 ARG 92 44.387 42.452 40.679 768 HG2 ARG 92 HG2 ARG 92 44.404 40.297 38.565 769 HG3 ARG 92 HG3 ARG 92 45.623 40.273 39.849 770 HD2 ARG 92 HD2 ARG 92 44.146 39.870 41.556 771 HD3 ARG 92 HD3 ARG 92 42.734 40.417 40.677 772 HE ARG 92 HE ARG 92 44.012 37.734 40.636 773 HH11 ARG 92 HH11 ARG 92 41.767 39.834 38.877 774 HH12 ARG 92 HH12 ARG 92 41.035 38.463 38.129 775 HH21 ARG 92 HH21 ARG 92 42.961 36.116 39.726 776 HH22 ARG 92 HH22 ARG 92 41.517 36.394 38.777 777 H SER 93 H SER 93 42.133 43.722 40.673 778 HA SER 93 HA SER 93 40.216 43.297 41.755 779 HB2 SER 93 HB2 SER 93 39.390 42.973 38.881 780 HB3 SER 93 HB3 SER 93 38.209 42.696 40.174 781 HG SER 93 HG SER 93 38.317 44.809 39.499 782 H GLY 94 H GLY 94 41.360 41.635 42.766 783 HA2 GLY 94 HA2 GLY 94 39.688 39.568 43.591 784 HA3 GLY 94 HA3 GLY 94 40.766 38.831 42.411 785 H SER 95 H SER 95 40.387 39.501 45.632 786 HA SER 95 HA SER 95 42.968 38.151 46.163 787 HB2 SER 95 HB2 SER 95 42.140 40.403 47.994 788 HB3 SER 95 HB3 SER 95 43.515 39.295 48.157 789 HG SER 95 HG SER 95 43.259 41.488 46.754 790 H SER 96 H SER 96 40.597 36.870 45.802 791 HA SER 96 HA SER 96 39.755 35.995 48.490 792 HB2 SER 96 HB2 SER 96 37.373 36.235 47.898 793 HB3 SER 96 HB3 SER 96 38.234 37.766 48.131 794 HG SER 96 HG SER 96 36.966 37.779 46.394 795 H HIS 97 H HIS 97 39.242 33.870 48.474 796 HA HIS 97 HA HIS 97 39.657 32.160 46.211 797 HB2 HIS 97 HB2 HIS 97 38.460 31.690 48.970 798 HB3 HIS 97 HB3 HIS 97 38.434 30.456 47.728 799 HD2 HIS 97 HD2 HIS 97 41.285 30.458 46.488 800 HE1 HIS 97 HE1 HIS 97 42.836 30.330 50.437 801 HE2 HIS 97 HE2 HIS 97 43.367 30.099 47.956 802 H ALA 98 H ALA 98 36.727 33.606 47.597 803 HA ALA 98 HA ALA 98 35.430 33.415 45.019 804 HB1 ALA 98 HB1 ALA 98 33.443 32.226 45.723 805 HB2 ALA 98 HB2 ALA 98 34.855 31.189 45.968 806 HB3 ALA 98 HB3 ALA 98 34.089 31.978 47.358 807 HA PRO 99 HA PRO 99 33.524 37.148 46.530 808 HB2 PRO 99 HB2 PRO 99 31.064 36.246 45.026 809 HB3 PRO 99 HB3 PRO 99 31.854 37.847 45.050 810 HG2 PRO 99 HG2 PRO 99 32.326 36.188 42.955 811 HG3 PRO 99 HG3 PRO 99 33.668 37.094 43.713 812 HD2 PRO 99 HD2 PRO 99 32.862 34.204 44.175 813 HD3 PRO 99 HD3 PRO 99 34.468 34.901 43.843 814 H GLN 100 H GLN 100 31.671 37.956 47.654 815 HA GLN 100 HA GLN 100 31.013 36.258 49.996 816 HB2 GLN 100 HB2 GLN 100 30.218 39.127 49.341 817 HB3 GLN 100 HB3 GLN 100 29.881 38.257 50.837 818 HG2 GLN 100 HG2 GLN 100 32.523 38.185 51.009 819 HG3 GLN 100 HG3 GLN 100 32.394 39.484 49.805 820 HE21 GLN 100 HE22 GLN 100 31.783 38.736 53.239 821 HE22 GLN 100 HE21 GLN 100 31.121 40.336 53.583 822 H ASP 101 H ASP 101 29.141 38.318 47.810 823 HA ASP 101 HA ASP 101 26.684 36.690 48.135 824 HB2 ASP 101 HB2 ASP 101 27.231 38.677 49.860 825 HB3 ASP 101 HB3 ASP 101 26.734 39.700 48.573 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 25.716 20.014 34.877 2 H2 GLY 1 H2 GLY 1 26.200 20.106 33.303 3 H3 GLY 1 H3 GLY 1 26.368 18.711 34.121 4 HA2 GLY 1 HA2 GLY 1 24.174 18.185 34.122 5 HA3 GLY 1 HA3 GLY 1 23.746 19.876 33.776 6 H SER 2 H SER 2 23.662 20.533 31.599 7 HA SER 2 HA SER 2 25.074 19.014 29.501 8 HB2 SER 2 HB2 SER 2 22.174 19.711 28.919 9 HB3 SER 2 HB3 SER 2 23.378 18.940 27.887 10 HG SER 2 HG SER 2 23.081 17.591 30.204 11 H GLU 3 H GLU 3 25.817 21.343 30.727 12 HA GLU 3 HA GLU 3 24.603 23.656 29.405 13 HB2 GLU 3 HB2 GLU 3 26.703 23.659 31.568 14 HB3 GLU 3 HB3 GLU 3 25.863 25.044 30.863 15 HG2 GLU 3 HG2 GLU 3 24.644 24.718 32.801 16 HG3 GLU 3 HG3 GLU 3 23.672 23.885 31.594 17 H PHE 4 H PHE 4 25.266 24.056 27.444 18 HA PHE 4 HA PHE 4 28.153 24.621 26.866 19 HB2 PHE 4 HB2 PHE 4 27.136 22.448 26.022 20 HB3 PHE 4 HB3 PHE 4 26.071 23.422 25.024 21 HD1 PHE 4 HD2 PHE 4 29.741 23.015 25.872 22 HD2 PHE 4 HD1 PHE 4 26.793 23.905 22.849 23 HE1 PHE 4 HE2 PHE 4 31.487 22.904 24.152 24 HE2 PHE 4 HE1 PHE 4 28.553 23.742 21.099 25 HZ PHE 4 HZ PHE 4 30.893 23.205 21.741 26 H GLU 5 H GLU 5 24.768 25.430 26.009 27 HA GLU 5 HA GLU 5 25.555 27.890 24.613 28 HB2 GLU 5 HB2 GLU 5 22.835 26.693 25.268 29 HB3 GLU 5 HB3 GLU 5 23.090 28.151 24.301 30 HG2 GLU 5 HG2 GLU 5 24.078 26.971 22.514 31 HG3 GLU 5 HG3 GLU 5 24.239 25.480 23.463 32 H LEU 6 H LEU 6 25.647 27.395 27.798 33 HA LEU 6 HA LEU 6 24.095 29.671 28.771 34 HB2 LEU 6 HB2 LEU 6 25.936 27.632 29.964 35 HB3 LEU 6 HB3 LEU 6 25.587 29.113 30.844 36 HG LEU 6 HG LEU 6 24.198 27.212 31.465 37 HD11 LEU 6 HD11 LEU 6 22.055 28.431 31.575 38 HD12 LEU 6 HD12 LEU 6 23.407 29.538 31.848 39 HD13 LEU 6 HD13 LEU 6 22.565 29.546 30.300 40 HD21 LEU 6 HD21 LEU 6 22.409 26.364 30.120 41 HD22 LEU 6 HD22 LEU 6 22.831 27.428 28.759 42 HD23 LEU 6 HD23 LEU 6 23.953 26.153 29.267 43 H ARG 7 H ARG 7 24.662 31.628 29.037 44 HA ARG 7 HA ARG 7 27.230 32.800 28.368 45 HB2 ARG 7 HB2 ARG 7 24.620 33.934 29.494 46 HB3 ARG 7 HB3 ARG 7 26.012 34.918 29.096 47 HG2 ARG 7 HG2 ARG 7 25.057 35.115 27.061 48 HG3 ARG 7 HG3 ARG 7 25.762 33.526 26.761 49 HD2 ARG 7 HD2 ARG 7 23.502 33.403 26.043 50 HD3 ARG 7 HD3 ARG 7 23.571 32.507 27.555 51 HE ARG 7 HE ARG 7 22.753 34.866 28.538 52 HH11 ARG 7 HH11 ARG 7 21.574 33.170 25.550 53 HH12 ARG 7 HH12 ARG 7 20.036 33.969 25.765 54 HH21 ARG 7 HH21 ARG 7 20.705 35.705 28.493 55 HH22 ARG 7 HH22 ARG 7 19.612 35.349 27.139 56 H ARG 8 H ARG 8 28.639 33.746 29.683 57 HA ARG 8 HA ARG 8 28.730 33.301 32.598 58 HB2 ARG 8 HB2 ARG 8 30.738 32.111 32.646 59 HB3 ARG 8 HB3 ARG 8 29.713 31.228 31.535 60 HG2 ARG 8 HG2 ARG 8 30.987 32.148 29.628 61 HG3 ARG 8 HG3 ARG 8 32.020 33.052 30.711 62 HD2 ARG 8 HD2 ARG 8 32.372 30.710 31.956 63 HD3 ARG 8 HD3 ARG 8 31.770 30.031 30.466 64 HE ARG 8 HE ARG 8 33.684 31.507 29.399 65 HH11 ARG 8 HH11 ARG 8 34.032 29.766 32.447 66 HH12 ARG 8 HH12 ARG 8 35.741 30.167 32.540 67 HH21 ARG 8 HH21 ARG 8 35.885 31.907 29.678 68 HH22 ARG 8 HH22 ARG 8 36.671 31.487 31.177 69 H GLN 9 H GLN 9 31.131 34.305 33.216 70 HA GLN 9 HA GLN 9 31.698 36.596 31.387 71 HB2 GLN 9 HB2 GLN 9 32.572 36.310 34.246 72 HB3 GLN 9 HB3 GLN 9 32.825 37.686 33.162 73 HG2 GLN 9 HG2 GLN 9 30.314 38.039 33.078 74 HG3 GLN 9 HG3 GLN 9 30.156 36.752 34.280 75 HE21 GLN 9 HE22 GLN 9 30.962 37.224 36.498 76 HE22 GLN 9 HE21 GLN 9 31.396 38.857 36.931 77 H GLN 10 H GLN 10 34.135 37.129 31.314 78 HA GLN 10 HA GLN 10 35.598 34.806 30.524 79 HB2 GLN 10 HB2 GLN 10 37.315 36.345 29.843 80 HB3 GLN 10 HB3 GLN 10 35.760 36.980 29.359 81 HG2 GLN 10 HG2 GLN 10 35.921 38.486 31.516 82 HG3 GLN 10 HG3 GLN 10 37.564 37.923 31.653 83 HE21 GLN 10 HE22 GLN 10 35.333 39.886 29.783 84 HE22 GLN 10 HE21 GLN 10 36.504 40.542 28.647 85 H ALA 11 H ALA 11 35.329 36.140 33.645 86 HA ALA 11 HA ALA 11 37.626 34.858 34.806 87 HB1 ALA 11 HB1 ALA 11 38.785 37.052 35.372 88 HB2 ALA 11 HB2 ALA 11 38.779 36.776 33.622 89 HB3 ALA 11 HB3 ALA 11 37.597 37.883 34.344 90 H LEU 12 H LEU 12 37.946 35.833 37.081 91 HA LEU 12 HA LEU 12 35.478 37.014 38.244 92 HB2 LEU 12 HB2 LEU 12 35.870 35.583 40.227 93 HB3 LEU 12 HB3 LEU 12 35.424 34.756 38.757 94 HG LEU 12 HG LEU 12 37.994 34.328 38.390 95 HD11 LEU 12 HD11 LEU 12 38.138 34.632 41.396 96 HD12 LEU 12 HD12 LEU 12 39.413 34.176 40.233 97 HD13 LEU 12 HD13 LEU 12 38.810 35.818 40.266 98 HD21 LEU 12 HD21 LEU 12 36.567 32.795 40.569 99 HD22 LEU 12 HD22 LEU 12 36.335 32.605 38.820 100 HD23 LEU 12 HD23 LEU 12 37.922 32.276 39.533 101 H ALA 13 H ALA 13 35.614 38.505 39.754 102 HA ALA 13 HA ALA 13 38.227 39.784 40.216 103 HB1 ALA 13 HB1 ALA 13 35.960 40.760 39.205 104 HB2 ALA 13 HB2 ALA 13 35.524 40.894 40.915 105 HB3 ALA 13 HB3 ALA 13 36.960 41.750 40.308 106 H GLU 14 H GLU 14 38.493 40.943 42.290 107 HA GLU 14 HA GLU 14 36.551 40.467 44.343 108 HB2 GLU 14 HB2 GLU 14 38.288 38.658 44.654 109 HB3 GLU 14 HB3 GLU 14 39.440 39.902 45.164 110 HG2 GLU 14 HG2 GLU 14 37.854 40.551 46.998 111 HG3 GLU 14 HG3 GLU 14 36.790 39.258 46.478 112 H ALA 15 H ALA 15 36.838 42.019 46.134 113 HA ALA 15 HA ALA 15 36.812 44.618 45.127 114 HB1 ALA 15 HB1 ALA 15 36.704 43.341 47.847 115 HB2 ALA 15 HB2 ALA 15 36.684 45.113 47.705 116 HB3 ALA 15 HB3 ALA 15 35.424 44.168 46.923 117 H ASP 16 H ASP 16 38.066 46.357 45.302 118 HA ASP 16 HA ASP 16 40.319 46.607 46.970 119 HB2 ASP 16 HB2 ASP 16 41.252 45.264 44.948 120 HB3 ASP 16 HB3 ASP 16 41.046 46.740 44.033 121 H ARG 17 H ARG 17 40.719 48.834 47.228 122 HA ARG 17 HA ARG 17 38.838 50.794 46.043 123 HB2 ARG 17 HB2 ARG 17 40.558 50.458 48.503 124 HB3 ARG 17 HB3 ARG 17 40.206 52.092 48.049 125 HG2 ARG 17 HG2 ARG 17 38.021 49.997 48.387 126 HG3 ARG 17 HG3 ARG 17 38.650 50.928 49.737 127 HD2 ARG 17 HD2 ARG 17 37.264 52.050 47.251 128 HD3 ARG 17 HD3 ARG 17 36.567 52.044 48.849 129 HE ARG 17 HE ARG 17 38.416 53.954 47.749 130 HH11 ARG 17 HH11 ARG 17 37.140 52.673 50.780 131 HH12 ARG 17 HH12 ARG 17 37.772 53.996 51.729 132 HH21 ARG 17 HH21 ARG 17 39.424 55.469 49.143 133 HH22 ARG 17 HH22 ARG 17 39.123 55.420 50.859 134 H THR 18 H THR 18 42.078 49.985 45.467 135 HA THR 18 HA THR 18 42.744 52.756 44.500 136 HB THR 18 HB THR 18 44.815 50.684 44.937 137 HG1 THR 18 HG1 THR 18 44.267 50.639 46.921 138 HG21 THR 18 HG21 THR 18 45.570 52.931 44.071 139 HG22 THR 18 HG22 THR 18 44.792 53.701 45.480 140 HG23 THR 18 HG23 THR 18 46.186 52.644 45.698 141 H LEU 19 H LEU 19 44.176 52.769 42.613 142 HA LEU 19 HA LEU 19 43.869 50.541 40.653 143 HB2 LEU 19 HB2 LEU 19 42.378 52.630 40.361 144 HB3 LEU 19 HB3 LEU 19 43.866 53.561 40.267 145 HG LEU 19 HG LEU 19 44.487 52.463 38.192 146 HD11 LEU 19 HD11 LEU 19 41.761 51.051 38.402 147 HD12 LEU 19 HD12 LEU 19 42.838 50.976 37.004 148 HD13 LEU 19 HD13 LEU 19 43.344 50.251 38.525 149 HD21 LEU 19 HD21 LEU 19 43.201 54.496 37.986 150 HD22 LEU 19 HD22 LEU 19 42.535 53.352 36.802 151 HD23 LEU 19 HD23 LEU 19 41.685 53.637 38.331 152 H PHE 20 H PHE 20 46.003 49.859 39.871 153 HA PHE 20 HA PHE 20 48.360 51.578 40.313 154 HB2 PHE 20 HB2 PHE 20 48.721 49.234 40.480 155 HB3 PHE 20 HB3 PHE 20 48.094 48.972 38.840 156 HD1 PHE 20 HD2 PHE 20 50.580 51.221 40.592 157 HD2 PHE 20 HD1 PHE 20 49.774 48.793 37.122 158 HE1 PHE 20 HE2 PHE 20 52.944 51.444 39.882 159 HE2 PHE 20 HE1 PHE 20 52.074 49.197 36.316 160 HZ PHE 20 HZ PHE 20 53.705 50.428 37.761 161 H VAL 21 H VAL 21 49.406 52.838 38.869 162 HA VAL 21 HA VAL 21 48.605 52.800 36.033 163 HB VAL 21 HB VAL 21 49.082 55.394 37.576 164 HG11 VAL 21 HG11 VAL 21 47.858 54.848 34.843 165 HG12 VAL 21 HG12 VAL 21 48.233 56.439 35.530 166 HG13 VAL 21 HG13 VAL 21 49.555 55.343 35.062 167 HG21 VAL 21 HG21 VAL 21 46.894 54.640 38.322 168 HG22 VAL 21 HG22 VAL 21 46.632 55.849 37.060 169 HG23 VAL 21 HG23 VAL 21 46.468 54.129 36.665 170 H GLY 22 H GLY 22 50.312 52.558 34.792 171 HA2 GLY 22 HA2 GLY 22 53.016 53.539 35.642 172 HA3 GLY 22 HA3 GLY 22 52.847 52.032 34.809 173 H ASN 23 H ASN 23 54.356 53.277 33.476 174 HA ASN 23 HA ASN 23 55.028 54.226 31.556 175 HB2 ASN 23 HB2 ASN 23 52.737 52.989 30.812 176 HB3 ASN 23 HB3 ASN 23 52.230 54.639 30.517 177 HD21 ASN 23 HD21 ASN 23 52.142 54.563 28.221 178 HD22 ASN 23 HD22 ASN 23 53.605 54.281 27.273 179 H LEU 24 H LEU 24 54.225 55.788 33.890 180 HA LEU 24 HA LEU 24 53.069 58.314 33.221 181 HB2 LEU 24 HB2 LEU 24 55.072 57.595 35.410 182 HB3 LEU 24 HB3 LEU 24 54.373 59.161 35.127 183 HG LEU 24 HG LEU 24 53.500 57.451 36.968 184 HD11 LEU 24 HD11 LEU 24 51.695 59.190 35.285 185 HD12 LEU 24 HD12 LEU 24 51.224 58.483 36.851 186 HD13 LEU 24 HD13 LEU 24 52.551 59.637 36.798 187 HD21 LEU 24 HD21 LEU 24 52.902 55.701 35.247 188 HD22 LEU 24 HD22 LEU 24 51.579 56.161 36.351 189 HD23 LEU 24 HD23 LEU 24 51.612 56.766 34.678 190 H GLU 25 H GLU 25 53.859 60.110 32.343 191 HA GLU 25 HA GLU 25 56.317 60.291 31.151 192 HB2 GLU 25 HB2 GLU 25 54.036 62.087 32.019 193 HB3 GLU 25 HB3 GLU 25 55.528 62.968 31.813 194 HG2 GLU 25 HG2 GLU 25 55.502 62.823 29.632 195 HG3 GLU 25 HG3 GLU 25 55.069 61.183 29.516 196 H THR 26 H THR 26 58.039 61.790 31.322 197 HA THR 26 HA THR 26 59.445 61.393 33.823 198 HB THR 26 HB THR 26 61.308 62.410 32.687 199 HG1 THR 26 HG1 THR 26 60.923 63.873 31.165 200 HG21 THR 26 HG21 THR 26 59.776 61.247 30.318 201 HG22 THR 26 HG22 THR 26 61.519 61.264 30.573 202 HG23 THR 26 HG23 THR 26 60.499 60.204 31.576 203 H LYS 27 H LYS 27 57.328 63.819 32.706 204 HA LYS 27 HA LYS 27 58.245 65.819 34.712 205 HB2 LYS 27 HB2 LYS 27 56.631 66.229 32.188 206 HB3 LYS 27 HB3 LYS 27 57.017 67.496 33.351 207 HG2 LYS 27 HG2 LYS 27 59.048 66.047 31.642 208 HG3 LYS 27 HG3 LYS 27 58.315 67.624 31.349 209 HD2 LYS 27 HD2 LYS 27 60.363 68.161 32.132 210 HD3 LYS 27 HD3 LYS 27 59.292 68.472 33.494 211 HE2 LYS 27 HE2 LYS 27 60.083 66.590 34.697 212 HE3 LYS 27 HE3 LYS 27 60.758 65.827 33.255 213 HZ1 LYS 27 HZ1 LYS 27 61.856 68.172 34.684 214 HZ2 LYS 27 HZ2 LYS 27 62.619 66.805 34.456 215 HZ3 LYS 27 HZ3 LYS 27 62.328 67.842 33.223 216 H VAL 28 H VAL 28 56.156 63.289 34.811 217 HA VAL 28 HA VAL 28 53.634 64.473 35.086 218 HB VAL 28 HB VAL 28 54.181 62.070 34.629 219 HG11 VAL 28 HG11 VAL 28 54.316 61.855 37.681 220 HG12 VAL 28 HG12 VAL 28 54.572 60.522 36.550 221 HG13 VAL 28 HG13 VAL 28 55.733 61.852 36.611 222 HG21 VAL 28 HG21 VAL 28 52.098 62.131 36.823 223 HG22 VAL 28 HG22 VAL 28 51.865 63.096 35.351 224 HG23 VAL 28 HG23 VAL 28 52.053 61.360 35.227 225 H THR 29 H THR 29 52.184 64.376 37.015 226 HA THR 29 HA THR 29 53.273 64.436 39.653 227 HB THR 29 HB THR 29 52.237 66.739 40.270 228 HG1 THR 29 HG1 THR 29 52.570 67.224 37.610 229 HG21 THR 29 HG21 THR 29 54.893 66.848 38.776 230 HG22 THR 29 HG22 THR 29 54.258 67.971 39.996 231 HG23 THR 29 HG23 THR 29 54.608 66.304 40.440 232 H GLU 30 H GLU 30 51.543 65.026 41.292 233 HA GLU 30 HA GLU 30 49.252 63.427 40.784 234 HB2 GLU 30 HB2 GLU 30 49.613 65.541 42.948 235 HB3 GLU 30 HB3 GLU 30 48.438 64.211 42.954 236 HG2 GLU 30 HG2 GLU 30 50.453 62.605 42.948 237 HG3 GLU 30 HG3 GLU 30 51.485 64.005 43.164 238 H GLU 31 H GLU 31 49.854 66.860 40.271 239 HA GLU 31 HA GLU 31 47.093 67.724 39.967 240 HB2 GLU 31 HB2 GLU 31 49.655 68.792 38.696 241 HB3 GLU 31 HB3 GLU 31 48.065 69.563 38.654 242 HG2 GLU 31 HG2 GLU 31 48.126 69.810 41.103 243 HG3 GLU 31 HG3 GLU 31 49.755 69.141 41.143 244 H LEU 32 H LEU 32 49.628 66.597 37.657 245 HA LEU 32 HA LEU 32 47.826 66.737 35.432 246 HB2 LEU 32 HB2 LEU 32 50.169 66.819 34.942 247 HB3 LEU 32 HB3 LEU 32 50.483 65.290 35.762 248 HG LEU 32 HG LEU 32 49.391 64.053 33.966 249 HD11 LEU 32 HD11 LEU 32 48.901 66.761 32.605 250 HD12 LEU 32 HD12 LEU 32 48.532 65.156 31.940 251 HD13 LEU 32 HD13 LEU 32 47.613 65.784 33.319 252 HD21 LEU 32 HD21 LEU 32 51.127 66.218 32.781 253 HD22 LEU 32 HD22 LEU 32 51.780 64.790 33.630 254 HD23 LEU 32 HD23 LEU 32 50.866 64.575 32.134 255 H LEU 33 H LEU 33 48.542 64.041 37.667 256 HA LEU 33 HA LEU 33 46.853 62.130 36.282 257 HB2 LEU 33 HB2 LEU 33 47.694 62.416 39.184 258 HB3 LEU 33 HB3 LEU 33 46.982 60.924 38.557 259 HG LEU 33 HG LEU 33 49.656 62.060 37.675 260 HD11 LEU 33 HD11 LEU 33 49.086 59.662 39.453 261 HD12 LEU 33 HD12 LEU 33 50.650 60.110 38.741 262 HD13 LEU 33 HD13 LEU 33 49.877 61.194 39.926 263 HD21 LEU 33 HD21 LEU 33 48.747 59.267 37.085 264 HD22 LEU 33 HD22 LEU 33 48.282 60.610 36.002 265 HD23 LEU 33 HD23 LEU 33 49.975 60.302 36.291 266 H PHE 34 H PHE 34 46.149 64.346 39.031 267 HA PHE 34 HA PHE 34 43.569 63.261 39.503 268 HB2 PHE 34 HB2 PHE 34 44.937 64.755 41.000 269 HB3 PHE 34 HB3 PHE 34 44.523 66.098 39.926 270 HD1 PHE 34 HD1 PHE 34 42.201 66.862 39.703 271 HD2 PHE 34 HD2 PHE 34 43.277 63.763 42.492 272 HE1 PHE 34 HE1 PHE 34 40.124 67.318 41.017 273 HE2 PHE 34 HE2 PHE 34 41.247 64.267 43.826 274 HZ PHE 34 HZ PHE 34 39.688 66.071 43.086 275 H GLU 35 H GLU 35 44.499 66.079 37.418 276 HA GLU 35 HA GLU 35 41.796 66.635 36.710 277 HB2 GLU 35 HB2 GLU 35 42.732 68.347 35.411 278 HB3 GLU 35 HB3 GLU 35 43.954 68.124 36.661 279 HG2 GLU 35 HG2 GLU 35 45.416 66.939 35.285 280 HG3 GLU 35 HG3 GLU 35 44.228 66.763 33.988 281 H LEU 36 H LEU 36 44.095 64.269 35.588 282 HA LEU 36 HA LEU 36 42.753 63.767 33.025 283 HB2 LEU 36 HB2 LEU 36 45.085 63.602 32.963 284 HB3 LEU 36 HB3 LEU 36 45.237 62.603 34.360 285 HG LEU 36 HG LEU 36 43.784 61.529 31.916 286 HD11 LEU 36 HD11 LEU 36 46.773 61.747 32.475 287 HD12 LEU 36 HD12 LEU 36 46.013 60.589 31.319 288 HD13 LEU 36 HD13 LEU 36 45.896 62.361 31.084 289 HD21 LEU 36 HD21 LEU 36 43.694 60.172 33.994 290 HD22 LEU 36 HD22 LEU 36 44.747 59.384 32.822 291 HD23 LEU 36 HD23 LEU 36 45.468 60.316 34.148 292 H PHE 37 H PHE 37 43.003 62.165 36.243 293 HA PHE 37 HA PHE 37 41.041 60.213 35.441 294 HB2 PHE 37 HB2 PHE 37 42.308 60.757 38.139 295 HB3 PHE 37 HB3 PHE 37 41.221 59.424 37.786 296 HD1 PHE 37 HD2 PHE 37 41.875 58.121 35.469 297 HD2 PHE 37 HD1 PHE 37 44.633 60.281 37.961 298 HE1 PHE 37 HE2 PHE 37 43.756 56.763 34.563 299 HE2 PHE 37 HE1 PHE 37 46.536 59.091 36.865 300 HZ PHE 37 HZ PHE 37 46.095 57.332 35.186 301 H HIS 38 H HIS 38 40.546 63.479 36.218 302 HA HIS 38 HA HIS 38 38.047 63.315 37.607 303 HB2 HIS 38 HB2 HIS 38 39.431 65.400 37.148 304 HB3 HIS 38 HB3 HIS 38 38.899 65.345 35.478 305 HD2 HIS 38 HD2 HIS 38 37.474 65.595 39.060 306 HE1 HIS 38 HE1 HIS 38 35.270 68.356 36.707 307 HE2 HIS 38 HE2 HIS 38 35.596 67.445 39.007 308 H GLN 39 H GLN 39 38.881 62.717 34.233 309 HA GLN 39 HA GLN 39 36.161 62.550 33.206 310 HB2 GLN 39 HB2 GLN 39 38.676 61.299 32.048 311 HB3 GLN 39 HB3 GLN 39 37.202 61.751 31.223 312 HG2 GLN 39 HG2 GLN 39 37.813 64.225 31.910 313 HG3 GLN 39 HG3 GLN 39 39.374 63.573 32.355 314 HE21 GLN 39 HE22 GLN 39 38.688 65.506 30.051 315 HE22 GLN 39 HE21 GLN 39 39.188 64.601 28.618 316 H ALA 40 H ALA 40 38.335 60.315 34.881 317 HA ALA 40 HA ALA 40 36.866 58.050 33.804 318 HB1 ALA 40 HB1 ALA 40 39.269 58.171 35.652 319 HB2 ALA 40 HB2 ALA 40 38.532 56.677 35.020 320 HB3 ALA 40 HB3 ALA 40 39.258 57.848 33.900 321 H GLY 41 H GLY 41 36.028 60.023 36.117 322 HA2 GLY 41 HA2 GLY 41 33.964 59.635 37.363 323 HA3 GLY 41 HA3 GLY 41 34.497 57.998 37.730 324 HA PRO 42 HA PRO 42 35.166 60.831 41.222 325 HB2 PRO 42 HB2 PRO 42 33.943 59.618 43.262 326 HB3 PRO 42 HB3 PRO 42 33.080 60.349 41.897 327 HG2 PRO 42 HG2 PRO 42 33.631 57.375 42.243 328 HG3 PRO 42 HG3 PRO 42 32.145 58.232 41.702 329 HD2 PRO 42 HD2 PRO 42 34.075 57.119 40.052 330 HD3 PRO 42 HD3 PRO 42 32.891 58.390 39.598 331 H VAL 43 H VAL 43 37.263 60.744 41.059 332 HA VAL 43 HA VAL 43 38.971 58.828 42.414 333 HB VAL 43 HB VAL 43 39.448 61.676 41.443 334 HG11 VAL 43 HG11 VAL 43 41.344 59.764 42.840 335 HG12 VAL 43 HG12 VAL 43 41.920 61.004 41.723 336 HG13 VAL 43 HG13 VAL 43 41.017 61.493 43.162 337 HG21 VAL 43 HG21 VAL 43 39.199 59.875 39.674 338 HG22 VAL 43 HG22 VAL 43 40.799 60.646 39.754 339 HG23 VAL 43 HG23 VAL 43 40.541 59.016 40.459 340 H ILE 44 H ILE 44 39.434 58.834 44.471 341 HA ILE 44 HA ILE 44 38.472 60.969 46.301 342 HB ILE 44 HB ILE 44 39.965 58.400 46.935 343 HG12 ILE 44 HG12 ILE 44 36.988 59.092 47.112 344 HG13 ILE 44 HG13 ILE 44 37.700 57.857 46.127 345 HG21 ILE 44 HG21 ILE 44 38.592 60.136 48.984 346 HG22 ILE 44 HG22 ILE 44 39.882 58.918 49.165 347 HG23 ILE 44 HG23 ILE 44 40.262 60.480 48.511 348 HD11 ILE 44 HD11 ILE 44 36.595 57.156 48.456 349 HD12 ILE 44 HD12 ILE 44 38.011 56.356 47.794 350 HD13 ILE 44 HD13 ILE 44 38.189 57.568 49.080 351 H LYS 45 H LYS 45 41.607 59.416 45.463 352 HA LYS 45 HA LYS 45 43.101 61.911 45.882 353 HB2 LYS 45 HB2 LYS 45 44.371 61.088 47.833 354 HB3 LYS 45 HB3 LYS 45 42.650 61.335 48.159 355 HG2 LYS 45 HG2 LYS 45 42.477 58.768 47.646 356 HG3 LYS 45 HG3 LYS 45 44.204 58.788 48.151 357 HD2 LYS 45 HD2 LYS 45 41.939 59.902 49.860 358 HD3 LYS 45 HD3 LYS 45 42.384 58.196 49.803 359 HE2 LYS 45 HE2 LYS 45 43.313 59.277 51.670 360 HE3 LYS 45 HE3 LYS 45 44.573 58.626 50.619 361 HZ1 LYS 45 HZ1 LYS 45 44.755 60.985 51.596 362 HZ2 LYS 45 HZ2 LYS 45 45.287 60.770 50.085 363 HZ3 LYS 45 HZ3 LYS 45 43.827 61.485 50.385 364 H VAL 46 H VAL 46 45.192 61.903 45.200 365 HA VAL 46 HA VAL 46 46.127 59.575 43.600 366 HB VAL 46 HB VAL 46 46.614 62.564 43.259 367 HG11 VAL 46 HG11 VAL 46 47.935 60.209 41.884 368 HG12 VAL 46 HG12 VAL 46 47.752 61.779 41.077 369 HG13 VAL 46 HG13 VAL 46 48.676 61.673 42.578 370 HG21 VAL 46 HG21 VAL 46 44.431 61.686 42.363 371 HG22 VAL 46 HG22 VAL 46 45.511 62.181 41.054 372 HG23 VAL 46 HG23 VAL 46 45.348 60.467 41.431 373 H LYS 47 H LYS 47 48.047 58.793 43.673 374 HA LYS 47 HA LYS 47 50.085 59.951 45.473 375 HB2 LYS 47 HB2 LYS 47 49.289 57.792 46.422 376 HB3 LYS 47 HB3 LYS 47 49.237 57.069 44.828 377 HG2 LYS 47 HG2 LYS 47 51.059 56.091 45.971 378 HG3 LYS 47 HG3 LYS 47 51.732 57.080 44.687 379 HD2 LYS 47 HD2 LYS 47 52.183 58.919 46.363 380 HD3 LYS 47 HD3 LYS 47 51.426 57.890 47.595 381 HE2 LYS 47 HE2 LYS 47 53.222 56.184 47.149 382 HE3 LYS 47 HE3 LYS 47 54.044 57.382 46.148 383 HZ1 LYS 47 HZ1 LYS 47 53.889 58.862 48.182 384 HZ2 LYS 47 HZ2 LYS 47 53.215 57.643 48.971 385 HZ3 LYS 47 HZ3 LYS 47 54.783 57.539 48.492 386 H ILE 48 H ILE 48 51.690 60.692 44.632 387 HA ILE 48 HA ILE 48 52.937 59.405 42.276 388 HB ILE 48 HB ILE 48 52.905 62.180 43.398 389 HG12 ILE 48 HG12 ILE 48 51.491 61.223 41.454 390 HG13 ILE 48 HG13 ILE 48 52.291 62.779 41.236 391 HG21 ILE 48 HG21 ILE 48 55.221 60.918 41.996 392 HG22 ILE 48 HG22 ILE 48 54.873 62.671 41.805 393 HG23 ILE 48 HG23 ILE 48 55.227 61.999 43.401 394 HD11 ILE 48 HD11 ILE 48 53.332 60.135 40.118 395 HD12 ILE 48 HD12 ILE 48 52.397 61.352 39.226 396 HD13 ILE 48 HD13 ILE 48 54.005 61.762 39.832 397 HA PRO 49 HA PRO 49 56.006 58.030 45.366 398 HB2 PRO 49 HB2 PRO 49 57.429 56.427 43.656 399 HB3 PRO 49 HB3 PRO 49 55.884 55.879 44.331 400 HG2 PRO 49 HG2 PRO 49 56.386 57.132 41.629 401 HG3 PRO 49 HG3 PRO 49 55.335 55.700 42.082 402 HD2 PRO 49 HD2 PRO 49 54.395 58.229 41.603 403 HD3 PRO 49 HD3 PRO 49 53.603 57.080 42.676 404 H LYS 50 H LYS 50 58.407 58.345 45.342 405 HA LYS 50 HA LYS 50 59.594 59.857 43.220 406 HB2 LYS 50 HB2 LYS 50 59.120 61.210 45.902 407 HB3 LYS 50 HB3 LYS 50 60.515 61.557 44.881 408 HG2 LYS 50 HG2 LYS 50 58.566 61.709 42.993 409 HG3 LYS 50 HG3 LYS 50 57.595 62.141 44.401 410 HD2 LYS 50 HD2 LYS 50 58.816 64.149 44.758 411 HD3 LYS 50 HD3 LYS 50 60.165 63.619 43.762 412 HE2 LYS 50 HE2 LYS 50 58.752 63.695 41.732 413 HE3 LYS 50 HE3 LYS 50 57.340 64.086 42.691 414 HZ1 LYS 50 HZ1 LYS 50 58.244 66.159 43.234 415 HZ2 LYS 50 HZ2 LYS 50 59.741 65.796 42.711 416 HZ3 LYS 50 HZ3 LYS 50 58.496 66.032 41.657 417 H ASP 51 H ASP 51 61.167 58.726 42.902 418 HA ASP 51 HA ASP 51 62.845 57.043 44.483 419 HB2 ASP 51 HB2 ASP 51 62.772 57.371 41.875 420 HB3 ASP 51 HB3 ASP 51 63.666 58.858 42.187 421 H LYS 52 H LYS 52 65.173 57.592 44.828 422 HA LYS 52 HA LYS 52 65.599 59.645 46.720 423 HB2 LYS 52 HB2 LYS 52 68.010 59.110 46.348 424 HB3 LYS 52 HB3 LYS 52 66.979 57.693 46.560 425 HG2 LYS 52 HG2 LYS 52 68.066 56.852 44.774 426 HG3 LYS 52 HG3 LYS 52 66.987 57.837 43.811 427 HD2 LYS 52 HD2 LYS 52 68.709 59.681 43.807 428 HD3 LYS 52 HD3 LYS 52 69.816 58.587 44.640 429 HE2 LYS 52 HE2 LYS 52 69.789 57.040 42.746 430 HE3 LYS 52 HE3 LYS 52 68.474 57.954 41.967 431 HZ1 LYS 52 HZ1 LYS 52 70.028 59.832 41.872 432 HZ2 LYS 52 HZ2 LYS 52 71.211 58.879 42.437 433 HZ3 LYS 52 HZ3 LYS 52 70.521 58.531 41.001 434 H ASP 53 H ASP 53 65.976 59.604 43.277 435 HA ASP 53 HA ASP 53 67.183 62.180 42.851 436 HB2 ASP 53 HB2 ASP 53 67.446 60.216 41.431 437 HB3 ASP 53 HB3 ASP 53 65.739 60.157 41.086 438 H GLY 54 H GLY 54 64.001 61.352 43.753 439 HA2 GLY 54 HA2 GLY 54 62.191 62.681 44.137 440 HA3 GLY 54 HA3 GLY 54 62.947 64.018 43.281 441 H LYS 55 H LYS 55 62.289 60.637 42.156 442 HA LYS 55 HA LYS 55 60.656 61.797 39.970 443 HB2 LYS 55 HB2 LYS 55 62.994 61.257 39.265 444 HB3 LYS 55 HB3 LYS 55 62.634 59.523 39.544 445 HG2 LYS 55 HG2 LYS 55 62.372 59.843 37.185 446 HG3 LYS 55 HG3 LYS 55 60.767 59.763 37.829 447 HD2 LYS 55 HD2 LYS 55 60.651 61.601 36.396 448 HD3 LYS 55 HD3 LYS 55 60.878 62.368 37.959 449 HE2 LYS 55 HE2 LYS 55 63.429 62.423 37.355 450 HE3 LYS 55 HE3 LYS 55 62.906 62.041 35.729 451 HZ1 LYS 55 HZ1 LYS 55 61.519 64.026 35.769 452 HZ2 LYS 55 HZ2 LYS 55 61.967 64.384 37.301 453 HZ3 LYS 55 HZ3 LYS 55 63.055 64.437 36.111 454 HA PRO 56 HA PRO 56 57.852 58.603 41.187 455 HB2 PRO 56 HB2 PRO 56 55.984 58.823 39.142 456 HB3 PRO 56 HB3 PRO 56 56.133 60.015 40.483 457 HG2 PRO 56 HG2 PRO 56 57.308 60.092 37.697 458 HG3 PRO 56 HG3 PRO 56 56.486 61.447 38.579 459 HD2 PRO 56 HD2 PRO 56 59.193 61.341 38.484 460 HD3 PRO 56 HD3 PRO 56 58.335 61.859 39.935 461 H LYS 57 H LYS 57 60.048 58.017 39.006 462 HA LYS 57 HA LYS 57 60.762 56.015 38.050 463 HB2 LYS 57 HB2 LYS 57 58.557 54.804 39.797 464 HB3 LYS 57 HB3 LYS 57 59.885 53.912 39.067 465 HG2 LYS 57 HG2 LYS 57 60.834 54.081 41.021 466 HG3 LYS 57 HG3 LYS 57 61.234 55.760 40.539 467 HD2 LYS 57 HD2 LYS 57 59.221 56.538 41.764 468 HD3 LYS 57 HD3 LYS 57 58.782 54.878 42.171 469 HE2 LYS 57 HE2 LYS 57 61.431 56.123 42.951 470 HE3 LYS 57 HE3 LYS 57 59.985 56.201 43.987 471 HZ1 LYS 57 HZ1 LYS 57 61.399 54.392 44.624 472 HZ2 LYS 57 HZ2 LYS 57 60.063 53.724 44.005 473 HZ3 LYS 57 HZ3 LYS 57 61.465 53.790 43.145 474 H GLN 58 H GLN 58 58.521 57.503 36.641 475 HA GLN 58 HA GLN 58 56.985 57.180 35.029 476 HB2 GLN 58 HB2 GLN 58 58.771 54.823 34.321 477 HB3 GLN 58 HB3 GLN 58 57.339 55.265 33.483 478 HG2 GLN 58 HG2 GLN 58 58.556 57.756 33.545 479 HG3 GLN 58 HG3 GLN 58 60.001 56.815 33.800 480 HE21 GLN 58 HE22 GLN 58 57.198 57.355 31.889 481 HE22 GLN 58 HE21 GLN 58 57.684 56.635 30.368 482 H PHE 59 H PHE 59 56.176 56.282 37.655 483 HA PHE 59 HA PHE 59 53.788 54.724 37.023 484 HB2 PHE 59 HB2 PHE 59 53.938 52.923 38.325 485 HB3 PHE 59 HB3 PHE 59 55.440 53.015 37.445 486 HD1 PHE 59 HD1 PHE 59 53.714 53.429 40.723 487 HD2 PHE 59 HD2 PHE 59 57.552 53.086 38.814 488 HE1 PHE 59 HE1 PHE 59 54.766 52.937 42.918 489 HE2 PHE 59 HE2 PHE 59 58.573 52.473 41.010 490 HZ PHE 59 HZ PHE 59 57.132 52.269 43.030 491 H ALA 60 H ALA 60 52.091 54.783 38.705 492 HA ALA 60 HA ALA 60 52.337 56.450 41.098 493 HB1 ALA 60 HB1 ALA 60 50.300 57.345 39.036 494 HB2 ALA 60 HB2 ALA 60 50.947 58.240 40.415 495 HB3 ALA 60 HB3 ALA 60 51.959 57.991 39.003 496 H PHE 61 H PHE 61 49.991 56.681 42.131 497 HA PHE 61 HA PHE 61 48.197 54.410 41.459 498 HB2 PHE 61 HB2 PHE 61 49.499 54.908 44.175 499 HB3 PHE 61 HB3 PHE 61 47.923 54.214 44.063 500 HD1 PHE 61 HD1 PHE 61 47.482 52.006 43.208 501 HD2 PHE 61 HD2 PHE 61 51.508 53.514 43.390 502 HE1 PHE 61 HE1 PHE 61 48.372 49.688 42.923 503 HE2 PHE 61 HE2 PHE 61 52.375 51.159 43.269 504 HZ PHE 61 HZ PHE 61 50.777 49.267 43.042 505 H VAL 62 H VAL 62 46.010 54.669 41.884 506 HA VAL 62 HA VAL 62 45.208 57.363 42.932 507 HB VAL 62 HB VAL 62 44.097 56.027 40.451 508 HG11 VAL 62 HG11 VAL 62 43.878 58.853 41.632 509 HG12 VAL 62 HG12 VAL 62 43.247 58.377 40.050 510 HG13 VAL 62 HG13 VAL 62 42.565 57.667 41.528 511 HG21 VAL 62 HG21 VAL 62 46.449 56.703 39.990 512 HG22 VAL 62 HG22 VAL 62 45.300 57.750 39.167 513 HG23 VAL 62 HG23 VAL 62 46.102 58.309 40.669 514 H ASN 63 H ASN 63 43.608 57.334 44.376 515 HA ASN 63 HA ASN 63 42.210 54.851 45.113 516 HB2 ASN 63 HB2 ASN 63 43.314 56.675 46.667 517 HB3 ASN 63 HB3 ASN 63 41.803 57.556 46.302 518 HD21 ASN 63 HD22 ASN 63 43.258 54.704 47.821 519 HD22 ASN 63 HD21 ASN 63 41.758 54.102 48.510 520 H PHE 64 H PHE 64 39.900 54.542 44.986 521 HA PHE 64 HA PHE 64 38.309 56.558 43.484 522 HB2 PHE 64 HB2 PHE 64 38.815 53.623 42.939 523 HB3 PHE 64 HB3 PHE 64 37.254 54.287 42.575 524 HD1 PHE 64 HD1 PHE 64 40.887 54.448 41.749 525 HD2 PHE 64 HD2 PHE 64 36.955 55.892 40.738 526 HE1 PHE 64 HE1 PHE 64 41.787 55.449 39.692 527 HE2 PHE 64 HE2 PHE 64 37.862 56.976 38.723 528 HZ PHE 64 HZ PHE 64 40.290 56.753 38.163 529 H LYS 65 H LYS 65 36.080 56.479 43.839 530 HA LYS 65 HA LYS 65 35.319 56.214 46.577 531 HB2 LYS 65 HB2 LYS 65 34.326 57.701 44.722 532 HB3 LYS 65 HB3 LYS 65 33.420 56.266 44.190 533 HG2 LYS 65 HG2 LYS 65 32.433 56.147 46.515 534 HG3 LYS 65 HG3 LYS 65 33.268 57.690 46.855 535 HD2 LYS 65 HD2 LYS 65 31.988 58.722 44.951 536 HD3 LYS 65 HD3 LYS 65 31.120 57.186 44.756 537 HE2 LYS 65 HE2 LYS 65 30.165 57.369 46.993 538 HE3 LYS 65 HE3 LYS 65 31.253 58.702 47.401 539 HZ1 LYS 65 HZ1 LYS 65 29.042 58.861 45.458 540 HZ2 LYS 65 HZ2 LYS 65 29.176 59.624 46.911 541 HZ3 LYS 65 HZ3 LYS 65 30.152 60.026 45.724 542 H HIS 66 H HIS 66 34.825 54.086 43.780 543 HA HIS 66 HA HIS 66 33.188 52.271 45.379 544 HB2 HIS 66 HB2 HIS 66 33.895 52.321 42.440 545 HB3 HIS 66 HB3 HIS 66 32.717 51.234 43.166 546 HD2 HIS 66 HD2 HIS 66 30.686 52.667 44.682 547 HE1 HIS 66 HE1 HIS 66 30.461 55.672 41.688 548 HE2 HIS 66 HE2 HIS 66 29.230 54.566 43.592 549 H GLU 67 H GLU 67 33.658 50.176 45.844 550 HA GLU 67 HA GLU 67 36.587 49.705 46.129 551 HB2 GLU 67 HB2 GLU 67 35.941 48.332 48.118 552 HB3 GLU 67 HB3 GLU 67 35.585 50.052 48.203 553 HG2 GLU 67 HG2 GLU 67 33.246 49.687 47.712 554 HG3 GLU 67 HG3 GLU 67 33.514 47.956 47.498 555 H VAL 68 H VAL 68 34.382 48.747 44.054 556 HA VAL 68 HA VAL 68 34.811 45.884 44.014 557 HB VAL 68 HB VAL 68 33.275 45.984 42.110 558 HG11 VAL 68 HG11 VAL 68 32.093 47.617 44.405 559 HG12 VAL 68 HG12 VAL 68 31.349 46.379 43.402 560 HG13 VAL 68 HG13 VAL 68 32.597 45.930 44.586 561 HG21 VAL 68 HG21 VAL 68 33.360 49.036 42.490 562 HG22 VAL 68 HG22 VAL 68 33.654 48.072 41.031 563 HG23 VAL 68 HG23 VAL 68 32.026 48.188 41.718 564 H SER 69 H SER 69 37.251 47.369 43.587 565 HA SER 69 HA SER 69 39.018 47.632 42.116 566 HB2 SER 69 HB2 SER 69 39.857 45.529 41.221 567 HB3 SER 69 HB3 SER 69 39.347 45.393 42.903 568 HG SER 69 HG SER 69 38.333 43.805 42.201 569 H VAL 70 H VAL 70 37.037 48.948 40.959 570 HA VAL 70 HA VAL 70 36.450 48.097 38.205 571 HB VAL 70 HB VAL 70 34.613 48.877 39.307 572 HG11 VAL 70 HG11 VAL 70 34.485 51.301 40.203 573 HG12 VAL 70 HG12 VAL 70 35.207 50.032 41.188 574 HG13 VAL 70 HG13 VAL 70 36.255 51.175 40.343 575 HG21 VAL 70 HG21 VAL 70 35.482 51.112 37.440 576 HG22 VAL 70 HG22 VAL 70 34.699 49.583 36.985 577 HG23 VAL 70 HG23 VAL 70 33.826 50.748 37.955 578 HA PRO 71 HA PRO 71 39.805 50.966 36.988 579 HB2 PRO 71 HB2 PRO 71 41.004 49.456 35.085 580 HB3 PRO 71 HB3 PRO 71 40.894 48.878 36.760 581 HG2 PRO 71 HG2 PRO 71 39.109 48.188 34.401 582 HG3 PRO 71 HG3 PRO 71 39.811 47.069 35.606 583 HD2 PRO 71 HD2 PRO 71 37.218 48.204 35.713 584 HD3 PRO 71 HD3 PRO 71 38.109 47.456 37.077 585 H TYR 72 H TYR 72 37.620 52.217 36.348 586 HA TYR 72 HA TYR 72 36.621 52.100 33.715 587 HB2 TYR 72 HB2 TYR 72 35.569 53.171 35.734 588 HB3 TYR 72 HB3 TYR 72 36.651 54.543 35.520 589 HD1 TYR 72 HD1 TYR 72 36.469 56.030 33.614 590 HD2 TYR 72 HD2 TYR 72 33.733 52.771 34.181 591 HE1 TYR 72 HE1 TYR 72 34.810 57.162 32.091 592 HE2 TYR 72 HE2 TYR 72 32.127 53.841 32.578 593 HH TYR 72 HH TYR 72 32.621 57.002 31.235 594 H ALA 73 H ALA 73 39.218 54.216 35.057 595 HA ALA 73 HA ALA 73 39.766 55.643 32.689 596 HB1 ALA 73 HB1 ALA 73 41.670 54.730 34.874 597 HB2 ALA 73 HB2 ALA 73 42.137 55.741 33.484 598 HB3 ALA 73 HB3 ALA 73 40.983 56.369 34.640 599 H MET 74 H MET 74 40.910 52.306 33.439 600 HA MET 74 HA MET 74 42.807 51.945 31.413 601 HB2 MET 74 HB2 MET 74 42.066 50.471 33.425 602 HB3 MET 74 HB3 MET 74 40.890 49.789 32.301 603 HG2 MET 74 HG2 MET 74 42.788 48.951 30.886 604 HG3 MET 74 HG3 MET 74 43.926 49.739 31.969 605 HE1 MET 74 HE1 MET 74 41.565 45.873 32.614 606 HE2 MET 74 HE2 MET 74 40.790 47.353 32.003 607 HE3 MET 74 HE3 MET 74 42.132 46.610 31.097 608 H ASN 75 H ASN 75 39.470 52.382 30.899 609 HA ASN 75 HA ASN 75 39.762 51.618 28.005 610 HB2 ASN 75 HB2 ASN 75 38.019 50.277 28.699 611 HB3 ASN 75 HB3 ASN 75 37.396 51.462 29.877 612 HD21 ASN 75 HD22 ASN 75 35.613 52.746 29.074 613 HD22 ASN 75 HD21 ASN 75 35.210 52.807 27.368 614 H LEU 76 H LEU 76 38.870 54.129 30.371 615 HA LEU 76 HA LEU 76 37.917 55.841 28.367 616 HB2 LEU 76 HB2 LEU 76 37.629 55.828 31.015 617 HB3 LEU 76 HB3 LEU 76 39.007 56.893 31.006 618 HG LEU 76 HG LEU 76 36.888 58.045 31.184 619 HD11 LEU 76 HD11 LEU 76 37.851 58.901 28.461 620 HD12 LEU 76 HD12 LEU 76 37.184 59.834 29.791 621 HD13 LEU 76 HD13 LEU 76 38.813 59.162 29.961 622 HD21 LEU 76 HD21 LEU 76 35.493 56.486 29.816 623 HD22 LEU 76 HD22 LEU 76 35.264 58.212 29.453 624 HD23 LEU 76 HD23 LEU 76 36.200 57.190 28.344 625 H LEU 77 H LEU 77 41.014 55.946 30.158 626 HA LEU 77 HA LEU 77 42.180 57.852 28.203 627 HB2 LEU 77 HB2 LEU 77 43.330 57.116 30.907 628 HB3 LEU 77 HB3 LEU 77 43.840 58.365 29.754 629 HG LEU 77 HG LEU 77 42.998 59.517 31.469 630 HD11 LEU 77 HD11 LEU 77 42.239 60.495 29.556 631 HD12 LEU 77 HD12 LEU 77 40.853 59.413 29.350 632 HD13 LEU 77 HD13 LEU 77 40.884 60.574 30.711 633 HD21 LEU 77 HD21 LEU 77 40.776 59.177 32.553 634 HD22 LEU 77 HD22 LEU 77 40.749 57.554 31.796 635 HD23 LEU 77 HD23 LEU 77 42.086 58.058 32.886 636 H ASN 78 H ASN 78 44.081 55.564 30.165 637 HA ASN 78 HA ASN 78 45.889 54.237 29.366 638 HB2 ASN 78 HB2 ASN 78 43.942 52.988 30.048 639 HB3 ASN 78 HB3 ASN 78 43.279 53.042 28.401 640 HD21 ASN 78 HD22 ASN 78 45.612 52.181 26.923 641 HD22 ASN 78 HD21 ASN 78 46.022 50.570 27.477 642 H GLY 79 H GLY 79 46.687 56.009 27.831 643 HA2 GLY 79 HA2 GLY 79 47.870 55.389 25.609 644 HA3 GLY 79 HA3 GLY 79 46.250 55.258 24.944 645 H ILE 80 H ILE 80 46.823 57.784 27.311 646 HA ILE 80 HA ILE 80 46.856 59.826 25.143 647 HB ILE 80 HB ILE 80 45.125 61.102 26.112 648 HG12 ILE 80 HG12 ILE 80 43.903 59.716 28.140 649 HG13 ILE 80 HG13 ILE 80 45.623 59.464 28.492 650 HG21 ILE 80 HG21 ILE 80 44.138 58.214 26.110 651 HG22 ILE 80 HG22 ILE 80 43.142 59.676 26.063 652 HG23 ILE 80 HG23 ILE 80 44.201 59.288 24.694 653 HD11 ILE 80 HD11 ILE 80 44.611 61.499 29.557 654 HD12 ILE 80 HD12 ILE 80 45.974 61.934 28.481 655 HD13 ILE 80 HD13 ILE 80 44.310 62.177 27.947 656 H LYS 81 H LYS 81 47.603 61.964 25.942 657 HA LYS 81 HA LYS 81 48.833 62.091 28.521 658 HB2 LYS 81 HB2 LYS 81 51.185 62.509 27.209 659 HB3 LYS 81 HB3 LYS 81 50.672 60.991 27.952 660 HG2 LYS 81 HG2 LYS 81 51.610 60.449 25.868 661 HG3 LYS 81 HG3 LYS 81 49.875 60.250 25.660 662 HD2 LYS 81 HD2 LYS 81 49.801 62.515 24.556 663 HD3 LYS 81 HD3 LYS 81 51.546 62.655 24.858 664 HE2 LYS 81 HE2 LYS 81 51.923 60.614 23.417 665 HE3 LYS 81 HE3 LYS 81 50.195 60.395 23.288 666 HZ1 LYS 81 HZ1 LYS 81 50.969 61.404 21.340 667 HZ2 LYS 81 HZ2 LYS 81 50.002 62.429 22.092 668 HZ3 LYS 81 HZ3 LYS 81 51.628 62.699 22.085 669 H LEU 82 H LEU 82 50.515 63.991 28.486 670 HA LEU 82 HA LEU 82 49.430 66.330 26.961 671 HB2 LEU 82 HB2 LEU 82 49.303 66.498 29.478 672 HB3 LEU 82 HB3 LEU 82 51.045 66.259 29.521 673 HG LEU 82 HG LEU 82 51.099 68.402 27.902 674 HD11 LEU 82 HD11 LEU 82 48.524 68.371 27.685 675 HD12 LEU 82 HD12 LEU 82 48.511 68.910 29.385 676 HD13 LEU 82 HD13 LEU 82 49.283 69.913 28.138 677 HD21 LEU 82 HD21 LEU 82 52.063 68.578 30.001 678 HD22 LEU 82 HD22 LEU 82 50.882 69.913 29.895 679 HD23 LEU 82 HD23 LEU 82 50.495 68.471 30.859 680 H TYR 83 H TYR 83 52.386 64.651 28.129 681 HA TYR 83 HA TYR 83 54.156 66.626 26.900 682 HB2 TYR 83 HB2 TYR 83 54.457 64.328 28.868 683 HB3 TYR 83 HB3 TYR 83 55.836 65.200 28.312 684 HD1 TYR 83 HD1 TYR 83 56.028 67.667 28.795 685 HD2 TYR 83 HD2 TYR 83 53.208 65.074 30.786 686 HE1 TYR 83 HE1 TYR 83 55.898 69.259 30.678 687 HE2 TYR 83 HE2 TYR 83 53.159 66.653 32.728 688 HH TYR 83 HH TYR 83 54.941 69.589 32.756 689 H GLY 84 H GLY 84 53.624 63.096 26.761 690 HA2 GLY 84 HA2 GLY 84 54.170 62.530 24.171 691 HA3 GLY 84 HA3 GLY 84 55.784 62.584 24.887 692 H ARG 85 H ARG 85 54.488 61.269 27.549 693 HA ARG 85 HA ARG 85 54.579 58.500 26.460 694 HB2 ARG 85 HB2 ARG 85 55.089 59.212 29.363 695 HB3 ARG 85 HB3 ARG 85 55.007 57.665 28.557 696 HG2 ARG 85 HG2 ARG 85 57.265 57.959 28.625 697 HG3 ARG 85 HG3 ARG 85 56.900 58.578 27.007 698 HD2 ARG 85 HD2 ARG 85 56.914 60.847 27.824 699 HD3 ARG 85 HD3 ARG 85 57.314 60.338 29.457 700 HE ARG 85 HE ARG 85 59.403 59.241 28.599 701 HH11 ARG 85 HH11 ARG 85 58.124 61.858 26.652 702 HH12 ARG 85 HH12 ARG 85 59.294 61.575 25.374 703 HH21 ARG 85 HH21 ARG 85 61.011 59.231 27.156 704 HH22 ARG 85 HH22 ARG 85 60.856 60.056 25.627 705 HA PRO 86 HA PRO 86 50.264 58.853 27.417 706 HB2 PRO 86 HB2 PRO 86 49.378 56.490 26.374 707 HB3 PRO 86 HB3 PRO 86 49.795 57.920 25.366 708 HG2 PRO 86 HG2 PRO 86 51.609 55.554 26.075 709 HG3 PRO 86 HG3 PRO 86 51.317 56.214 24.434 710 HD2 PRO 86 HD2 PRO 86 53.480 56.972 25.801 711 HD3 PRO 86 HD3 PRO 86 52.519 58.219 24.969 712 H ILE 87 H ILE 87 49.279 58.575 29.184 713 HA ILE 87 HA ILE 87 50.169 57.009 31.279 714 HB ILE 87 HB ILE 87 47.517 58.388 30.636 715 HG12 ILE 87 HG12 ILE 87 49.528 59.762 31.167 716 HG13 ILE 87 HG13 ILE 87 48.216 59.995 32.325 717 HG21 ILE 87 HG21 ILE 87 46.607 56.820 32.070 718 HG22 ILE 87 HG22 ILE 87 48.035 56.860 33.166 719 HG23 ILE 87 HG23 ILE 87 46.918 58.245 33.066 720 HD11 ILE 87 HD11 ILE 87 49.285 58.666 34.015 721 HD12 ILE 87 HD12 ILE 87 50.540 58.097 32.908 722 HD13 ILE 87 HD13 ILE 87 50.507 59.794 33.404 723 H LYS 88 H LYS 88 50.015 54.946 31.797 724 HA LYS 88 HA LYS 88 47.995 53.264 30.402 725 HB2 LYS 88 HB2 LYS 88 50.227 52.712 29.698 726 HB3 LYS 88 HB3 LYS 88 50.761 52.508 31.401 727 HG2 LYS 88 HG2 LYS 88 50.434 50.405 30.358 728 HG3 LYS 88 HG3 LYS 88 49.315 50.606 31.698 729 HD2 LYS 88 HD2 LYS 88 47.422 50.784 30.288 730 HD3 LYS 88 HD3 LYS 88 48.406 51.429 28.940 731 HE2 LYS 88 HE2 LYS 88 48.422 48.607 30.052 732 HE3 LYS 88 HE3 LYS 88 47.513 49.080 28.599 733 HZ1 LYS 88 HZ1 LYS 88 50.440 49.432 28.732 734 HZ2 LYS 88 HZ2 LYS 88 49.727 48.070 28.186 735 HZ3 LYS 88 HZ3 LYS 88 49.478 49.469 27.438 736 H ILE 89 H ILE 89 46.414 52.873 31.644 737 HA ILE 89 HA ILE 89 46.748 52.518 34.557 738 HB ILE 89 HB ILE 89 44.337 52.376 32.755 739 HG12 ILE 89 HG12 ILE 89 43.959 54.516 34.460 740 HG13 ILE 89 HG13 ILE 89 45.692 54.636 34.212 741 HG21 ILE 89 HG21 ILE 89 44.621 52.273 35.781 742 HG22 ILE 89 HG22 ILE 89 43.068 52.504 34.917 743 HG23 ILE 89 HG23 ILE 89 43.981 51.003 34.735 744 HD11 ILE 89 HD11 ILE 89 43.640 54.421 31.982 745 HD12 ILE 89 HD12 ILE 89 44.321 55.951 32.585 746 HD13 ILE 89 HD13 ILE 89 45.374 54.771 31.779 747 H GLN 90 H GLN 90 46.534 50.504 35.680 748 HA GLN 90 HA GLN 90 45.901 48.060 34.086 749 HB2 GLN 90 HB2 GLN 90 47.968 48.551 36.221 750 HB3 GLN 90 HB3 GLN 90 47.496 46.911 35.742 751 HG2 GLN 90 HG2 GLN 90 48.811 48.915 33.885 752 HG3 GLN 90 HG3 GLN 90 49.549 47.534 34.714 753 HE21 GLN 90 HE22 GLN 90 46.993 48.282 32.210 754 HE22 GLN 90 HE21 GLN 90 47.255 46.787 31.377 755 H PHE 91 H PHE 91 45.143 46.289 35.347 756 HA PHE 91 HA PHE 91 43.291 47.138 37.559 757 HB2 PHE 91 HB2 PHE 91 41.589 45.806 36.845 758 HB3 PHE 91 HB3 PHE 91 42.084 46.558 35.381 759 HD1 PHE 91 HD1 PHE 91 43.649 45.001 33.759 760 HD2 PHE 91 HD2 PHE 91 41.365 43.599 37.128 761 HE1 PHE 91 HE1 PHE 91 43.577 42.704 32.778 762 HE2 PHE 91 HE2 PHE 91 41.249 41.342 36.123 763 HZ PHE 91 HZ PHE 91 42.355 40.901 33.933 764 H ARG 92 H ARG 92 42.737 45.568 39.160 765 HA ARG 92 HA ARG 92 44.642 43.301 39.545 766 HB2 ARG 92 HB2 ARG 92 44.451 45.095 41.366 767 HB3 ARG 92 HB3 ARG 92 42.850 44.443 41.725 768 HG2 ARG 92 HG2 ARG 92 43.945 42.211 42.115 769 HG3 ARG 92 HG3 ARG 92 45.513 42.996 41.886 770 HD2 ARG 92 HD2 ARG 92 44.931 44.582 43.791 771 HD3 ARG 92 HD3 ARG 92 43.452 43.631 44.037 772 HE ARG 92 HE ARG 92 45.547 41.781 44.019 773 HH11 ARG 92 HH11 ARG 92 44.655 44.482 46.066 774 HH12 ARG 92 HH12 ARG 92 45.788 43.982 47.313 775 HH21 ARG 92 HH21 ARG 92 46.675 41.080 45.700 776 HH22 ARG 92 HH22 ARG 92 46.676 41.895 47.248 777 H SER 93 H SER 93 43.793 41.154 39.683 778 HA SER 93 HA SER 93 41.003 40.742 38.719 779 HB2 SER 93 HB2 SER 93 41.738 38.491 38.143 780 HB3 SER 93 HB3 SER 93 42.704 39.727 37.354 781 HG SER 93 HG SER 93 44.022 38.184 38.268 782 H GLY 94 H GLY 94 41.391 41.491 41.549 783 HA2 GLY 94 HA2 GLY 94 40.649 40.785 43.634 784 HA3 GLY 94 HA3 GLY 94 40.345 39.164 43.018 785 H SER 95 H SER 95 41.496 39.028 45.350 786 HA SER 95 HA SER 95 44.385 38.461 44.838 787 HB2 SER 95 HB2 SER 95 43.735 40.162 46.622 788 HB3 SER 95 HB3 SER 95 43.104 38.773 47.529 789 HG SER 95 HG SER 95 45.345 39.328 47.869 790 H SER 96 H SER 96 45.270 36.531 45.818 791 HA SER 96 HA SER 96 43.554 34.422 47.014 792 HB2 SER 96 HB2 SER 96 45.145 34.007 44.467 793 HB3 SER 96 HB3 SER 96 44.883 32.693 45.622 794 HG SER 96 HG SER 96 42.811 34.338 44.766 795 H HIS 97 H HIS 97 44.416 34.420 48.973 796 HA HIS 97 HA HIS 97 47.329 34.012 49.263 797 HB2 HIS 97 HB2 HIS 97 47.575 35.545 51.035 798 HB3 HIS 97 HB3 HIS 97 46.867 36.341 49.651 799 HD2 HIS 97 HD2 HIS 97 44.251 34.577 51.766 800 HE1 HIS 97 HE1 HIS 97 43.945 38.745 52.514 801 HE2 HIS 97 HE2 HIS 97 42.815 36.489 52.786 802 H ALA 98 H ALA 98 47.730 33.319 51.805 803 HA ALA 98 HA ALA 98 46.391 30.709 52.055 804 HB1 ALA 98 HB1 ALA 98 48.777 30.743 52.478 805 HB2 ALA 98 HB2 ALA 98 48.564 32.112 53.623 806 HB3 ALA 98 HB3 ALA 98 47.978 30.494 54.012 807 HA PRO 99 HA PRO 99 43.986 31.940 55.729 808 HB2 PRO 99 HB2 PRO 99 44.844 29.366 56.931 809 HB3 PRO 99 HB3 PRO 99 43.188 30.005 56.689 810 HG2 PRO 99 HG2 PRO 99 44.231 27.935 55.191 811 HG3 PRO 99 HG3 PRO 99 43.131 29.169 54.470 812 HD2 PRO 99 HD2 PRO 99 46.145 29.039 54.301 813 HD3 PRO 99 HD3 PRO 99 44.928 29.404 53.042 814 H GLN 100 H GLN 100 44.487 31.724 58.216 815 HA GLN 100 HA GLN 100 47.372 31.961 58.821 816 HB2 GLN 100 HB2 GLN 100 45.533 34.031 59.949 817 HB3 GLN 100 HB3 GLN 100 47.293 33.937 59.817 818 HG2 GLN 100 HG2 GLN 100 46.923 34.277 57.243 819 HG3 GLN 100 HG3 GLN 100 45.261 34.636 57.642 820 HE21 GLN 100 HE22 GLN 100 46.978 36.510 56.398 821 HE22 GLN 100 HE21 GLN 100 47.111 37.903 57.451 822 H ASP 101 H ASP 101 44.367 30.762 59.843 823 HA ASP 101 HA ASP 101 45.549 29.861 62.445 824 HB2 ASP 101 HB2 ASP 101 43.540 31.326 62.825 825 HB3 ASP 101 HB3 ASP 101 42.596 30.214 61.849 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 61.663 40.839 30.572 2 H2 GLY 1 H2 GLY 1 60.267 41.266 29.817 3 H3 GLY 1 H3 GLY 1 60.257 40.189 31.078 4 HA2 GLY 1 HA2 GLY 1 61.292 41.921 32.446 5 HA3 GLY 1 HA3 GLY 1 60.751 43.090 31.203 6 H SER 2 H SER 2 59.689 40.523 33.379 7 HA SER 2 HA SER 2 56.912 41.625 33.446 8 HB2 SER 2 HB2 SER 2 57.641 38.731 33.037 9 HB3 SER 2 HB3 SER 2 56.004 39.420 33.096 10 HG SER 2 HG SER 2 57.739 39.421 31.081 11 H GLU 3 H GLU 3 58.862 41.860 35.537 12 HA GLU 3 HA GLU 3 59.057 41.828 37.727 13 HB2 GLU 3 HB2 GLU 3 56.373 40.499 37.968 14 HB3 GLU 3 HB3 GLU 3 57.336 41.221 39.254 15 HG2 GLU 3 HG2 GLU 3 57.312 43.411 37.818 16 HG3 GLU 3 HG3 GLU 3 56.089 42.578 36.848 17 H PHE 4 H PHE 4 60.381 40.652 39.052 18 HA PHE 4 HA PHE 4 60.583 37.700 38.794 19 HB2 PHE 4 HB2 PHE 4 62.658 38.859 38.938 20 HB3 PHE 4 HB3 PHE 4 62.094 39.878 40.245 21 HD1 PHE 4 HD2 PHE 4 62.520 36.137 39.668 22 HD2 PHE 4 HD1 PHE 4 63.114 39.555 42.227 23 HE1 PHE 4 HE2 PHE 4 63.605 34.686 41.388 24 HE2 PHE 4 HE1 PHE 4 64.258 38.110 43.884 25 HZ PHE 4 HZ PHE 4 64.464 35.683 43.484 26 H GLU 5 H GLU 5 59.261 40.218 40.896 27 HA GLU 5 HA GLU 5 58.463 38.213 42.923 28 HB2 GLU 5 HB2 GLU 5 58.824 41.221 43.163 29 HB3 GLU 5 HB3 GLU 5 58.359 40.114 44.474 30 HG2 GLU 5 HG2 GLU 5 60.532 38.909 44.127 31 HG3 GLU 5 HG3 GLU 5 61.015 40.182 43.007 32 H LEU 6 H LEU 6 56.787 38.023 40.800 33 HA LEU 6 HA LEU 6 54.745 40.006 40.627 34 HB2 LEU 6 HB2 LEU 6 55.429 37.833 39.023 35 HB3 LEU 6 HB3 LEU 6 53.993 37.242 39.785 36 HG LEU 6 HG LEU 6 54.259 39.814 38.147 37 HD11 LEU 6 HD11 LEU 6 52.654 37.279 37.649 38 HD12 LEU 6 HD12 LEU 6 52.879 38.650 36.534 39 HD13 LEU 6 HD13 LEU 6 54.247 37.591 36.948 40 HD21 LEU 6 HD21 LEU 6 51.809 40.034 38.283 41 HD22 LEU 6 HD22 LEU 6 51.761 38.709 39.458 42 HD23 LEU 6 HD23 LEU 6 52.581 40.258 39.844 43 H ARG 7 H ARG 7 52.727 40.239 41.825 44 HA ARG 7 HA ARG 7 51.930 38.728 44.003 45 HB2 ARG 7 HB2 ARG 7 50.487 40.311 41.887 46 HB3 ARG 7 HB3 ARG 7 49.563 39.422 43.142 47 HG2 ARG 7 HG2 ARG 7 49.812 41.680 43.844 48 HG3 ARG 7 HG3 ARG 7 50.778 40.601 44.889 49 HD2 ARG 7 HD2 ARG 7 52.009 42.560 44.520 50 HD3 ARG 7 HD3 ARG 7 52.783 41.257 43.590 51 HE ARG 7 HE ARG 7 50.844 42.868 42.019 52 HH11 ARG 7 HH11 ARG 7 54.290 42.578 42.868 53 HH12 ARG 7 HH12 ARG 7 54.710 43.064 41.241 54 HH21 ARG 7 HH21 ARG 7 51.570 43.443 40.096 55 HH22 ARG 7 HH22 ARG 7 53.264 43.559 39.749 56 H ARG 8 H ARG 8 50.834 36.955 44.370 57 HA ARG 8 HA ARG 8 51.200 34.706 42.553 58 HB2 ARG 8 HB2 ARG 8 50.225 34.953 45.450 59 HB3 ARG 8 HB3 ARG 8 50.311 33.413 44.610 60 HG2 ARG 8 HG2 ARG 8 52.637 33.729 44.054 61 HG3 ARG 8 HG3 ARG 8 52.677 35.306 44.845 62 HD2 ARG 8 HD2 ARG 8 52.060 33.964 47.020 63 HD3 ARG 8 HD3 ARG 8 52.466 32.538 46.047 64 HE ARG 8 HE ARG 8 54.303 34.572 47.138 65 HH11 ARG 8 HH11 ARG 8 53.995 32.025 44.708 66 HH12 ARG 8 HH12 ARG 8 55.702 32.147 44.346 67 HH21 ARG 8 HH21 ARG 8 56.348 34.684 46.536 68 HH22 ARG 8 HH22 ARG 8 57.054 33.422 45.569 69 H GLN 9 H GLN 9 49.497 32.958 42.619 70 HA GLN 9 HA GLN 9 46.760 34.034 42.503 71 HB2 GLN 9 HB2 GLN 9 47.909 32.186 40.388 72 HB3 GLN 9 HB3 GLN 9 46.208 32.639 40.660 73 HG2 GLN 9 HG2 GLN 9 47.099 35.112 40.431 74 HG3 GLN 9 HG3 GLN 9 48.502 34.390 39.616 75 HE21 GLN 9 HE22 GLN 9 48.044 33.096 37.608 76 HE22 GLN 9 HE21 GLN 9 46.631 33.571 36.660 77 H GLN 10 H GLN 10 48.887 31.415 43.335 78 HA GLN 10 HA GLN 10 46.975 29.304 43.416 79 HB2 GLN 10 HB2 GLN 10 49.799 29.665 44.488 80 HB3 GLN 10 HB3 GLN 10 48.908 28.158 44.726 81 HG2 GLN 10 HG2 GLN 10 48.666 27.874 42.308 82 HG3 GLN 10 HG3 GLN 10 49.462 29.431 42.023 83 HE21 GLN 10 HE22 GLN 10 51.466 28.833 41.073 84 HE22 GLN 10 HE21 GLN 10 52.498 27.564 41.744 85 H ALA 11 H ALA 11 46.521 31.685 45.137 86 HA ALA 11 HA ALA 11 45.325 30.416 47.499 87 HB1 ALA 11 HB1 ALA 11 46.665 31.723 49.162 88 HB2 ALA 11 HB2 ALA 11 47.609 30.555 48.238 89 HB3 ALA 11 HB3 ALA 11 47.709 32.286 47.838 90 H LEU 12 H LEU 12 44.567 32.429 49.078 91 HA LEU 12 HA LEU 12 42.839 34.298 47.963 92 HB2 LEU 12 HB2 LEU 12 44.646 34.822 50.345 93 HB3 LEU 12 HB3 LEU 12 43.211 35.719 49.935 94 HG LEU 12 HG LEU 12 43.479 32.897 50.936 95 HD11 LEU 12 HD11 LEU 12 41.732 35.198 51.944 96 HD12 LEU 12 HD12 LEU 12 42.006 33.636 52.733 97 HD13 LEU 12 HD13 LEU 12 43.345 34.772 52.555 98 HD21 LEU 12 HD21 LEU 12 41.877 32.460 49.302 99 HD22 LEU 12 HD22 LEU 12 40.932 32.718 50.775 100 HD23 LEU 12 HD23 LEU 12 41.013 33.990 49.536 101 H ALA 13 H ALA 13 42.888 36.367 47.196 102 HA ALA 13 HA ALA 13 45.105 37.277 45.675 103 HB1 ALA 13 HB1 ALA 13 43.694 39.085 45.081 104 HB2 ALA 13 HB2 ALA 13 42.663 37.650 45.223 105 HB3 ALA 13 HB3 ALA 13 42.674 38.855 46.528 106 H GLU 14 H GLU 14 44.204 38.196 48.969 107 HA GLU 14 HA GLU 14 44.441 39.994 50.243 108 HB2 GLU 14 HB2 GLU 14 46.596 38.606 50.530 109 HB3 GLU 14 HB3 GLU 14 47.404 40.005 49.813 110 HG2 GLU 14 HG2 GLU 14 47.513 40.383 52.164 111 HG3 GLU 14 HG3 GLU 14 46.176 41.387 51.709 112 H ALA 15 H ALA 15 43.449 41.169 48.199 113 HA ALA 15 HA ALA 15 44.994 43.145 46.815 114 HB1 ALA 15 HB1 ALA 15 42.019 42.664 46.989 115 HB2 ALA 15 HB2 ALA 15 42.848 43.786 45.875 116 HB3 ALA 15 HB3 ALA 15 43.183 42.043 45.791 117 H ASP 16 H ASP 16 44.811 45.341 46.707 118 HA ASP 16 HA ASP 16 43.512 46.860 48.921 119 HB2 ASP 16 HB2 ASP 16 45.881 46.914 49.293 120 HB3 ASP 16 HB3 ASP 16 46.198 47.380 47.614 121 H ARG 17 H ARG 17 42.207 48.544 48.208 122 HA ARG 17 HA ARG 17 41.106 48.174 45.602 123 HB2 ARG 17 HB2 ARG 17 40.746 50.445 47.582 124 HB3 ARG 17 HB3 ARG 17 39.705 50.174 46.183 125 HG2 ARG 17 HG2 ARG 17 39.137 47.883 47.152 126 HG3 ARG 17 HG3 ARG 17 39.986 48.398 48.624 127 HD2 ARG 17 HD2 ARG 17 37.672 49.987 47.416 128 HD3 ARG 17 HD3 ARG 17 37.471 48.768 48.674 129 HE ARG 17 HE ARG 17 39.313 51.139 48.998 130 HH11 ARG 17 HH11 ARG 17 36.313 49.655 50.163 131 HH12 ARG 17 HH12 ARG 17 36.677 50.159 51.790 132 HH21 ARG 17 HH21 ARG 17 39.644 51.649 50.991 133 HH22 ARG 17 HH22 ARG 17 38.401 51.407 52.209 134 H THR 18 H THR 18 43.671 50.238 46.476 135 HA THR 18 HA THR 18 43.269 52.427 44.692 136 HB THR 18 HB THR 18 46.037 51.603 45.533 137 HG1 THR 18 HG1 THR 18 44.968 51.386 47.420 138 HG21 THR 18 HG21 THR 18 44.423 54.186 45.634 139 HG22 THR 18 HG22 THR 18 46.127 54.034 46.052 140 HG23 THR 18 HG23 THR 18 45.609 53.808 44.349 141 H LEU 19 H LEU 19 43.859 52.840 42.602 142 HA LEU 19 HA LEU 19 44.095 50.509 40.854 143 HB2 LEU 19 HB2 LEU 19 42.399 52.450 40.596 144 HB3 LEU 19 HB3 LEU 19 43.760 53.455 40.169 145 HG LEU 19 HG LEU 19 44.189 52.228 38.127 146 HD11 LEU 19 HD11 LEU 19 41.758 50.510 38.815 147 HD12 LEU 19 HD12 LEU 19 42.645 50.521 37.263 148 HD13 LEU 19 HD13 LEU 19 43.426 49.912 38.702 149 HD21 LEU 19 HD21 LEU 19 42.149 52.987 36.970 150 HD22 LEU 19 HD22 LEU 19 41.239 52.916 38.490 151 HD23 LEU 19 HD23 LEU 19 42.541 54.096 38.296 152 H PHE 20 H PHE 20 46.036 49.981 39.812 153 HA PHE 20 HA PHE 20 48.399 51.649 40.233 154 HB2 PHE 20 HB2 PHE 20 48.528 49.177 40.269 155 HB3 PHE 20 HB3 PHE 20 47.996 49.147 38.601 156 HD1 PHE 20 HD1 PHE 20 49.439 50.003 36.777 157 HD2 PHE 20 HD2 PHE 20 50.897 49.970 40.835 158 HE1 PHE 20 HE1 PHE 20 51.760 50.068 35.941 159 HE2 PHE 20 HE2 PHE 20 53.208 50.220 39.988 160 HZ PHE 20 HZ PHE 20 53.649 50.283 37.546 161 H VAL 21 H VAL 21 49.440 52.901 38.828 162 HA VAL 21 HA VAL 21 48.487 53.187 36.025 163 HB VAL 21 HB VAL 21 48.947 55.581 37.854 164 HG11 VAL 21 HG11 VAL 21 48.205 56.873 35.981 165 HG12 VAL 21 HG12 VAL 21 49.338 55.718 35.240 166 HG13 VAL 21 HG13 VAL 21 47.606 55.427 35.130 167 HG21 VAL 21 HG21 VAL 21 46.798 54.522 38.480 168 HG22 VAL 21 HG22 VAL 21 46.495 56.005 37.571 169 HG23 VAL 21 HG23 VAL 21 46.336 54.438 36.765 170 H GLY 22 H GLY 22 50.146 52.987 34.706 171 HA2 GLY 22 HA2 GLY 22 52.871 53.832 35.588 172 HA3 GLY 22 HA3 GLY 22 52.642 52.354 34.705 173 H ASN 23 H ASN 23 54.148 53.669 33.419 174 HA ASN 23 HA ASN 23 54.721 54.637 31.508 175 HB2 ASN 23 HB2 ASN 23 52.610 53.096 30.866 176 HB3 ASN 23 HB3 ASN 23 51.879 54.651 30.530 177 HD21 ASN 23 HD21 ASN 23 51.816 54.423 28.280 178 HD22 ASN 23 HD22 ASN 23 53.246 54.158 27.283 179 H LEU 24 H LEU 24 54.384 56.177 33.605 180 HA LEU 24 HA LEU 24 53.044 58.691 32.935 181 HB2 LEU 24 HB2 LEU 24 54.956 57.827 35.169 182 HB3 LEU 24 HB3 LEU 24 54.345 59.422 34.994 183 HG LEU 24 HG LEU 24 53.423 57.690 36.717 184 HD11 LEU 24 HD11 LEU 24 51.752 59.654 35.163 185 HD12 LEU 24 HD12 LEU 24 51.161 58.804 36.631 186 HD13 LEU 24 HD13 LEU 24 52.574 59.860 36.742 187 HD21 LEU 24 HD21 LEU 24 52.678 55.983 35.097 188 HD22 LEU 24 HD22 LEU 24 51.412 56.560 36.211 189 HD23 LEU 24 HD23 LEU 24 51.416 57.082 34.513 190 H GLU 25 H GLU 25 54.076 60.544 32.454 191 HA GLU 25 HA GLU 25 56.769 60.554 31.445 192 HB2 GLU 25 HB2 GLU 25 54.454 62.346 31.556 193 HB3 GLU 25 HB3 GLU 25 55.932 63.233 31.801 194 HG2 GLU 25 HG2 GLU 25 55.816 61.132 29.592 195 HG3 GLU 25 HG3 GLU 25 54.961 62.629 29.339 196 H THR 26 H THR 26 58.283 62.111 31.835 197 HA THR 26 HA THR 26 59.637 61.631 34.334 198 HB THR 26 HB THR 26 61.482 62.805 33.206 199 HG1 THR 26 HG1 THR 26 59.671 63.304 31.150 200 HG21 THR 26 HG21 THR 26 60.993 60.463 32.452 201 HG22 THR 26 HG22 THR 26 59.871 61.068 31.227 202 HG23 THR 26 HG23 THR 26 61.578 61.437 31.088 203 H LYS 27 H LYS 27 57.773 64.243 32.949 204 HA LYS 27 HA LYS 27 58.118 66.027 35.318 205 HB2 LYS 27 HB2 LYS 27 57.066 66.545 32.516 206 HB3 LYS 27 HB3 LYS 27 57.168 67.776 33.765 207 HG2 LYS 27 HG2 LYS 27 59.632 66.396 32.639 208 HG3 LYS 27 HG3 LYS 27 58.922 67.864 32.021 209 HD2 LYS 27 HD2 LYS 27 60.659 68.582 33.439 210 HD3 LYS 27 HD3 LYS 27 59.175 68.914 34.348 211 HE2 LYS 27 HE2 LYS 27 59.464 67.046 35.769 212 HE3 LYS 27 HE3 LYS 27 60.737 66.369 34.730 213 HZ1 LYS 27 HZ1 LYS 27 60.955 68.910 36.269 214 HZ2 LYS 27 HZ2 LYS 27 61.592 67.474 36.739 215 HZ3 LYS 27 HZ3 LYS 27 62.119 68.245 35.422 216 H VAL 28 H VAL 28 56.216 63.530 35.115 217 HA VAL 28 HA VAL 28 53.569 64.668 35.269 218 HB VAL 28 HB VAL 28 54.246 62.295 34.683 219 HG11 VAL 28 HG11 VAL 28 54.561 60.647 36.431 220 HG12 VAL 28 HG12 VAL 28 55.619 62.000 36.768 221 HG13 VAL 28 HG13 VAL 28 54.094 61.814 37.680 222 HG21 VAL 28 HG21 VAL 28 51.944 62.039 36.527 223 HG22 VAL 28 HG22 VAL 28 51.869 63.442 35.481 224 HG23 VAL 28 HG23 VAL 28 52.097 61.868 34.745 225 H THR 29 H THR 29 52.193 64.606 37.229 226 HA THR 29 HA THR 29 53.403 64.453 39.865 227 HB THR 29 HB THR 29 52.493 66.760 40.523 228 HG1 THR 29 HG1 THR 29 52.468 68.131 38.667 229 HG21 THR 29 HG21 THR 29 54.878 67.036 38.692 230 HG22 THR 29 HG22 THR 29 54.501 67.874 40.216 231 HG23 THR 29 HG23 THR 29 54.912 66.160 40.250 232 H GLU 30 H GLU 30 51.664 64.944 41.585 233 HA GLU 30 HA GLU 30 49.337 63.382 40.964 234 HB2 GLU 30 HB2 GLU 30 49.591 65.304 43.290 235 HB3 GLU 30 HB3 GLU 30 48.580 63.849 43.157 236 HG2 GLU 30 HG2 GLU 30 50.507 62.400 43.260 237 HG3 GLU 30 HG3 GLU 30 51.613 63.772 43.209 238 H GLU 31 H GLU 31 50.027 66.756 40.727 239 HA GLU 31 HA GLU 31 47.426 67.932 40.378 240 HB2 GLU 31 HB2 GLU 31 50.170 68.707 39.268 241 HB3 GLU 31 HB3 GLU 31 48.794 69.808 39.477 242 HG2 GLU 31 HG2 GLU 31 48.942 69.185 41.977 243 HG3 GLU 31 HG3 GLU 31 50.518 68.496 41.569 244 H LEU 32 H LEU 32 49.582 66.211 38.093 245 HA LEU 32 HA LEU 32 47.885 66.971 35.840 246 HB2 LEU 32 HB2 LEU 32 50.159 66.716 35.466 247 HB3 LEU 32 HB3 LEU 32 50.203 65.052 36.113 248 HG LEU 32 HG LEU 32 49.058 64.208 34.130 249 HD11 LEU 32 HD11 LEU 32 48.462 65.819 32.266 250 HD12 LEU 32 HD12 LEU 32 47.402 65.959 33.659 251 HD13 LEU 32 HD13 LEU 32 48.697 67.150 33.433 252 HD21 LEU 32 HD21 LEU 32 51.015 66.387 33.323 253 HD22 LEU 32 HD22 LEU 32 51.553 64.870 34.041 254 HD23 LEU 32 HD23 LEU 32 50.770 64.874 32.439 255 H LEU 33 H LEU 33 48.433 64.149 37.915 256 HA LEU 33 HA LEU 33 46.640 62.350 36.570 257 HB2 LEU 33 HB2 LEU 33 47.469 62.507 39.469 258 HB3 LEU 33 HB3 LEU 33 46.816 61.044 38.689 259 HG LEU 33 HG LEU 33 49.498 62.358 38.034 260 HD11 LEU 33 HD11 LEU 33 48.944 59.701 39.356 261 HD12 LEU 33 HD12 LEU 33 50.508 60.251 38.691 262 HD13 LEU 33 HD13 LEU 33 49.812 61.112 40.059 263 HD21 LEU 33 HD21 LEU 33 48.426 59.731 36.990 264 HD22 LEU 33 HD22 LEU 33 48.283 61.257 36.074 265 HD23 LEU 33 HD23 LEU 33 49.878 60.638 36.473 266 H PHE 34 H PHE 34 46.058 64.487 39.354 267 HA PHE 34 HA PHE 34 43.434 63.654 39.970 268 HB2 PHE 34 HB2 PHE 34 45.011 65.172 41.285 269 HB3 PHE 34 HB3 PHE 34 44.653 66.433 40.131 270 HD1 PHE 34 HD2 PHE 34 42.799 64.088 42.471 271 HD2 PHE 34 HD1 PHE 34 42.907 67.910 40.482 272 HE1 PHE 34 HE2 PHE 34 40.703 64.781 43.641 273 HE2 PHE 34 HE1 PHE 34 41.025 68.693 41.890 274 HZ PHE 34 HZ PHE 34 39.828 67.066 43.364 275 H GLU 35 H GLU 35 44.615 65.901 37.493 276 HA GLU 35 HA GLU 35 41.865 66.658 36.749 277 HB2 GLU 35 HB2 GLU 35 42.712 68.459 35.689 278 HB3 GLU 35 HB3 GLU 35 43.981 68.217 36.889 279 HG2 GLU 35 HG2 GLU 35 45.416 67.139 35.226 280 HG3 GLU 35 HG3 GLU 35 44.139 67.254 34.004 281 H LEU 36 H LEU 36 44.417 64.512 35.573 282 HA LEU 36 HA LEU 36 43.171 64.026 33.026 283 HB2 LEU 36 HB2 LEU 36 45.476 63.638 33.190 284 HB3 LEU 36 HB3 LEU 36 45.338 62.728 34.661 285 HG LEU 36 HG LEU 36 44.058 61.514 32.175 286 HD11 LEU 36 HD11 LEU 36 47.007 61.709 32.732 287 HD12 LEU 36 HD12 LEU 36 46.257 60.335 31.835 288 HD13 LEU 36 HD13 LEU 36 46.149 61.945 31.186 289 HD21 LEU 36 HD21 LEU 36 43.733 60.379 34.277 290 HD22 LEU 36 HD22 LEU 36 44.963 59.465 33.413 291 HD23 LEU 36 HD23 LEU 36 45.447 60.561 34.720 292 H PHE 37 H PHE 37 42.771 62.423 36.244 293 HA PHE 37 HA PHE 37 41.174 60.333 35.004 294 HB2 PHE 37 HB2 PHE 37 42.072 60.859 37.830 295 HB3 PHE 37 HB3 PHE 37 40.995 59.527 37.401 296 HD1 PHE 37 HD2 PHE 37 41.710 57.928 35.556 297 HD2 PHE 37 HD1 PHE 37 44.484 60.320 37.816 298 HE1 PHE 37 HE2 PHE 37 43.575 56.309 35.064 299 HE2 PHE 37 HE1 PHE 37 46.367 59.004 36.876 300 HZ PHE 37 HZ PHE 37 45.906 57.007 35.468 301 H HIS 38 H HIS 38 40.033 63.068 34.703 302 HA HIS 38 HA HIS 38 38.292 63.562 36.954 303 HB2 HIS 38 HB2 HIS 38 38.079 65.708 36.248 304 HB3 HIS 38 HB3 HIS 38 39.683 65.271 35.709 305 HD2 HIS 38 HD2 HIS 38 39.458 64.192 32.904 306 HE1 HIS 38 HE1 HIS 38 36.886 67.436 31.932 307 HE2 HIS 38 HE2 HIS 38 38.381 65.640 31.011 308 H GLN 39 H GLN 39 37.554 61.912 34.061 309 HA GLN 39 HA GLN 39 34.696 61.931 34.919 310 HB2 GLN 39 HB2 GLN 39 35.735 61.364 32.110 311 HB3 GLN 39 HB3 GLN 39 34.073 61.170 32.678 312 HG2 GLN 39 HG2 GLN 39 34.096 63.669 33.182 313 HG3 GLN 39 HG3 GLN 39 35.618 63.725 32.269 314 HE21 GLN 39 HE22 GLN 39 33.297 65.153 31.348 315 HE22 GLN 39 HE21 GLN 39 32.847 64.376 29.829 316 H ALA 40 H ALA 40 37.308 60.145 35.620 317 HA ALA 40 HA ALA 40 36.449 57.548 34.564 318 HB1 ALA 40 HB1 ALA 40 38.974 58.251 36.108 319 HB2 ALA 40 HB2 ALA 40 38.617 56.748 35.231 320 HB3 ALA 40 HB3 ALA 40 38.796 58.253 34.343 321 H GLY 41 H GLY 41 34.609 58.555 36.562 322 HA2 GLY 41 HA2 GLY 41 33.482 57.591 38.449 323 HA3 GLY 41 HA3 GLY 41 34.858 56.547 38.737 324 HA PRO 42 HA PRO 42 35.082 61.109 40.799 325 HB2 PRO 42 HB2 PRO 42 33.809 59.663 43.113 326 HB3 PRO 42 HB3 PRO 42 33.721 61.404 42.695 327 HG2 PRO 42 HG2 PRO 42 31.711 59.716 42.104 328 HG3 PRO 42 HG3 PRO 42 32.210 60.981 40.924 329 HD2 PRO 42 HD2 PRO 42 32.772 58.027 40.907 330 HD3 PRO 42 HD3 PRO 42 32.515 59.146 39.526 331 H VAL 43 H VAL 43 37.227 60.922 40.818 332 HA VAL 43 HA VAL 43 38.870 59.082 42.299 333 HB VAL 43 HB VAL 43 39.278 61.624 40.801 334 HG11 VAL 43 HG11 VAL 43 41.429 60.447 42.612 335 HG12 VAL 43 HG12 VAL 43 41.638 61.747 41.412 336 HG13 VAL 43 HG13 VAL 43 40.678 62.034 42.875 337 HG21 VAL 43 HG21 VAL 43 40.962 60.249 39.680 338 HG22 VAL 43 HG22 VAL 43 40.877 59.033 40.960 339 HG23 VAL 43 HG23 VAL 43 39.504 59.229 39.858 340 H ILE 44 H ILE 44 39.618 59.056 44.329 341 HA ILE 44 HA ILE 44 38.470 60.929 46.317 342 HB ILE 44 HB ILE 44 39.968 58.286 46.607 343 HG12 ILE 44 HG12 ILE 44 37.096 59.137 46.936 344 HG13 ILE 44 HG13 ILE 44 37.737 57.824 45.945 345 HG21 ILE 44 HG21 ILE 44 39.757 58.410 48.972 346 HG22 ILE 44 HG22 ILE 44 40.541 59.902 48.504 347 HG23 ILE 44 HG23 ILE 44 38.812 59.924 48.888 348 HD11 ILE 44 HD11 ILE 44 37.965 56.395 47.950 349 HD12 ILE 44 HD12 ILE 44 37.626 57.788 48.999 350 HD13 ILE 44 HD13 ILE 44 36.368 57.143 47.950 351 H LYS 45 H LYS 45 41.562 59.687 45.094 352 HA LYS 45 HA LYS 45 43.109 62.010 45.716 353 HB2 LYS 45 HB2 LYS 45 44.409 61.330 47.523 354 HB3 LYS 45 HB3 LYS 45 42.776 60.902 47.997 355 HG2 LYS 45 HG2 LYS 45 43.692 58.568 46.767 356 HG3 LYS 45 HG3 LYS 45 45.160 59.216 47.487 357 HD2 LYS 45 HD2 LYS 45 42.554 58.511 48.876 358 HD3 LYS 45 HD3 LYS 45 44.077 57.642 48.960 359 HE2 LYS 45 HE2 LYS 45 43.419 60.392 50.129 360 HE3 LYS 45 HE3 LYS 45 43.686 58.889 51.029 361 HZ1 LYS 45 HZ1 LYS 45 45.955 58.871 50.235 362 HZ2 LYS 45 HZ2 LYS 45 45.814 60.319 49.579 363 HZ3 LYS 45 HZ3 LYS 45 45.686 60.144 51.181 364 H VAL 46 H VAL 46 45.255 61.778 45.065 365 HA VAL 46 HA VAL 46 46.024 59.500 43.271 366 HB VAL 46 HB VAL 46 46.893 62.423 43.318 367 HG11 VAL 46 HG11 VAL 46 47.671 60.056 41.594 368 HG12 VAL 46 HG12 VAL 46 48.012 61.781 41.161 369 HG13 VAL 46 HG13 VAL 46 48.756 61.066 42.570 370 HG21 VAL 46 HG21 VAL 46 45.216 60.853 41.330 371 HG22 VAL 46 HG22 VAL 46 44.599 62.111 42.418 372 HG23 VAL 46 HG23 VAL 46 45.769 62.564 41.178 373 H LYS 47 H LYS 47 48.090 58.578 43.511 374 HA LYS 47 HA LYS 47 49.938 59.796 45.499 375 HB2 LYS 47 HB2 LYS 47 49.275 57.748 46.483 376 HB3 LYS 47 HB3 LYS 47 49.188 56.916 44.941 377 HG2 LYS 47 HG2 LYS 47 51.029 56.012 46.107 378 HG3 LYS 47 HG3 LYS 47 51.630 56.898 44.722 379 HD2 LYS 47 HD2 LYS 47 52.226 58.828 46.201 380 HD3 LYS 47 HD3 LYS 47 51.740 57.891 47.610 381 HE2 LYS 47 HE2 LYS 47 53.829 56.926 45.596 382 HE3 LYS 47 HE3 LYS 47 54.196 57.776 47.105 383 HZ1 LYS 47 HZ1 LYS 47 52.865 55.154 46.811 384 HZ2 LYS 47 HZ2 LYS 47 54.336 55.424 47.416 385 HZ3 LYS 47 HZ3 LYS 47 53.001 55.889 48.228 386 H ILE 48 H ILE 48 51.671 60.655 44.681 387 HA ILE 48 HA ILE 48 52.931 59.418 42.294 388 HB ILE 48 HB ILE 48 52.998 62.165 43.424 389 HG12 ILE 48 HG12 ILE 48 51.552 61.424 41.451 390 HG13 ILE 48 HG13 ILE 48 52.614 62.808 41.158 391 HG21 ILE 48 HG21 ILE 48 55.282 60.968 41.853 392 HG22 ILE 48 HG22 ILE 48 54.993 62.717 42.050 393 HG23 ILE 48 HG23 ILE 48 55.334 61.712 43.461 394 HD11 ILE 48 HD11 ILE 48 52.454 61.156 39.283 395 HD12 ILE 48 HD12 ILE 48 54.070 61.662 39.819 396 HD13 ILE 48 HD13 ILE 48 53.462 60.050 40.252 397 HA PRO 49 HA PRO 49 56.101 57.665 45.197 398 HB2 PRO 49 HB2 PRO 49 57.528 56.448 43.227 399 HB3 PRO 49 HB3 PRO 49 56.105 55.720 44.005 400 HG2 PRO 49 HG2 PRO 49 56.338 57.231 41.425 401 HG3 PRO 49 HG3 PRO 49 55.417 55.724 41.707 402 HD2 PRO 49 HD2 PRO 49 54.339 58.233 41.551 403 HD3 PRO 49 HD3 PRO 49 53.575 57.079 42.657 404 H LYS 50 H LYS 50 58.591 58.045 45.095 405 HA LYS 50 HA LYS 50 59.690 59.852 43.172 406 HB2 LYS 50 HB2 LYS 50 59.262 60.921 45.980 407 HB3 LYS 50 HB3 LYS 50 60.603 61.455 44.988 408 HG2 LYS 50 HG2 LYS 50 58.653 61.782 43.161 409 HG3 LYS 50 HG3 LYS 50 57.696 62.041 44.607 410 HD2 LYS 50 HD2 LYS 50 59.021 63.976 45.241 411 HD3 LYS 50 HD3 LYS 50 60.311 63.570 44.149 412 HE2 LYS 50 HE2 LYS 50 58.701 63.737 42.197 413 HE3 LYS 50 HE3 LYS 50 57.519 64.433 43.287 414 HZ1 LYS 50 HZ1 LYS 50 59.120 66.194 43.726 415 HZ2 LYS 50 HZ2 LYS 50 60.233 65.536 42.755 416 HZ3 LYS 50 HZ3 LYS 50 58.827 66.106 42.114 417 H ASP 51 H ASP 51 61.363 58.715 42.790 418 HA ASP 51 HA ASP 51 62.955 56.980 44.345 419 HB2 ASP 51 HB2 ASP 51 62.839 57.126 41.884 420 HB3 ASP 51 HB3 ASP 51 63.686 58.665 41.922 421 H LYS 52 H LYS 52 65.362 57.256 44.810 422 HA LYS 52 HA LYS 52 65.975 59.179 46.675 423 HB2 LYS 52 HB2 LYS 52 68.381 58.808 46.203 424 HB3 LYS 52 HB3 LYS 52 67.445 57.342 46.357 425 HG2 LYS 52 HG2 LYS 52 68.497 56.647 44.513 426 HG3 LYS 52 HG3 LYS 52 67.337 57.662 43.632 427 HD2 LYS 52 HD2 LYS 52 69.031 59.438 43.482 428 HD3 LYS 52 HD3 LYS 52 70.185 58.382 44.341 429 HE2 LYS 52 HE2 LYS 52 70.032 56.695 42.510 430 HE3 LYS 52 HE3 LYS 52 68.709 57.591 41.771 431 HZ1 LYS 52 HZ1 LYS 52 70.794 57.960 40.604 432 HZ2 LYS 52 HZ2 LYS 52 70.221 59.318 41.184 433 HZ3 LYS 52 HZ3 LYS 52 71.459 58.661 41.916 434 H ASP 53 H ASP 53 66.264 59.508 43.232 435 HA ASP 53 HA ASP 53 67.367 62.153 43.067 436 HB2 ASP 53 HB2 ASP 53 67.489 60.170 41.482 437 HB3 ASP 53 HB3 ASP 53 65.796 60.437 41.093 438 H GLY 54 H GLY 54 64.209 61.188 43.791 439 HA2 GLY 54 HA2 GLY 54 62.353 62.496 44.288 440 HA3 GLY 54 HA3 GLY 54 63.042 63.854 43.430 441 H LYS 55 H LYS 55 62.606 60.591 41.928 442 HA LYS 55 HA LYS 55 60.640 61.876 40.095 443 HB2 LYS 55 HB2 LYS 55 62.881 61.452 39.186 444 HB3 LYS 55 HB3 LYS 55 62.606 59.692 39.413 445 HG2 LYS 55 HG2 LYS 55 62.077 59.963 37.175 446 HG3 LYS 55 HG3 LYS 55 60.507 60.051 37.909 447 HD2 LYS 55 HD2 LYS 55 60.403 61.809 36.501 448 HD3 LYS 55 HD3 LYS 55 60.905 62.680 37.952 449 HE2 LYS 55 HE2 LYS 55 63.150 61.653 36.307 450 HE3 LYS 55 HE3 LYS 55 62.041 62.672 35.393 451 HZ1 LYS 55 HZ1 LYS 55 63.532 63.522 37.798 452 HZ2 LYS 55 HZ2 LYS 55 63.831 63.938 36.289 453 HZ3 LYS 55 HZ3 LYS 55 62.460 64.464 36.995 454 HA PRO 56 HA PRO 56 57.933 58.738 41.166 455 HB2 PRO 56 HB2 PRO 56 56.130 58.827 38.942 456 HB3 PRO 56 HB3 PRO 56 56.044 59.848 40.422 457 HG2 PRO 56 HG2 PRO 56 57.306 60.301 37.776 458 HG3 PRO 56 HG3 PRO 56 56.420 61.532 38.758 459 HD2 PRO 56 HD2 PRO 56 59.068 61.709 38.827 460 HD3 PRO 56 HD3 PRO 56 58.236 61.669 40.396 461 H LYS 57 H LYS 57 60.151 58.009 38.891 462 HA LYS 57 HA LYS 57 60.776 56.153 37.783 463 HB2 LYS 57 HB2 LYS 57 58.896 54.657 39.594 464 HB3 LYS 57 HB3 LYS 57 60.368 54.053 38.815 465 HG2 LYS 57 HG2 LYS 57 61.418 54.447 40.743 466 HG3 LYS 57 HG3 LYS 57 61.343 56.152 40.375 467 HD2 LYS 57 HD2 LYS 57 59.310 56.481 41.621 468 HD3 LYS 57 HD3 LYS 57 59.057 54.752 41.887 469 HE2 LYS 57 HE2 LYS 57 61.633 55.931 42.732 470 HE3 LYS 57 HE3 LYS 57 60.178 56.356 43.686 471 HZ1 LYS 57 HZ1 LYS 57 61.210 54.426 44.601 472 HZ2 LYS 57 HZ2 LYS 57 59.774 53.978 44.024 473 HZ3 LYS 57 HZ3 LYS 57 61.210 53.625 43.250 474 H GLN 58 H GLN 58 58.550 57.572 36.600 475 HA GLN 58 HA GLN 58 56.968 57.478 35.044 476 HB2 GLN 58 HB2 GLN 58 58.505 54.989 34.255 477 HB3 GLN 58 HB3 GLN 58 57.168 55.674 33.330 478 HG2 GLN 58 HG2 GLN 58 58.613 57.919 33.576 479 HG3 GLN 58 HG3 GLN 58 59.944 56.804 33.909 480 HE21 GLN 58 HE22 GLN 58 57.697 58.068 31.731 481 HE22 GLN 58 HE21 GLN 58 57.764 56.913 30.552 482 H PHE 59 H PHE 59 56.079 56.485 37.573 483 HA PHE 59 HA PHE 59 53.596 55.173 36.755 484 HB2 PHE 59 HB2 PHE 59 53.738 53.141 37.772 485 HB3 PHE 59 HB3 PHE 59 55.375 53.356 37.205 486 HD1 PHE 59 HD1 PHE 59 53.104 53.250 40.127 487 HD2 PHE 59 HD2 PHE 59 57.159 53.597 38.785 488 HE1 PHE 59 HE1 PHE 59 53.895 52.904 42.472 489 HE2 PHE 59 HE2 PHE 59 57.969 53.165 41.095 490 HZ PHE 59 HZ PHE 59 56.299 52.884 42.967 491 H ALA 60 H ALA 60 52.087 55.001 38.541 492 HA ALA 60 HA ALA 60 52.468 56.576 40.942 493 HB1 ALA 60 HB1 ALA 60 50.811 58.252 40.420 494 HB2 ALA 60 HB2 ALA 60 51.997 58.236 39.119 495 HB3 ALA 60 HB3 ALA 60 50.419 57.462 38.866 496 H PHE 61 H PHE 61 49.990 56.702 42.004 497 HA PHE 61 HA PHE 61 48.249 54.419 41.254 498 HB2 PHE 61 HB2 PHE 61 49.504 54.988 43.998 499 HB3 PHE 61 HB3 PHE 61 47.930 54.246 43.885 500 HD1 PHE 61 HD1 PHE 61 47.613 52.028 42.957 501 HD2 PHE 61 HD2 PHE 61 51.526 53.679 43.645 502 HE1 PHE 61 HE1 PHE 61 48.578 49.728 42.988 503 HE2 PHE 61 HE2 PHE 61 52.479 51.382 43.744 504 HZ PHE 61 HZ PHE 61 51.005 49.412 43.397 505 H VAL 62 H VAL 62 46.084 54.520 42.108 506 HA VAL 62 HA VAL 62 45.180 57.229 42.867 507 HB VAL 62 HB VAL 62 44.103 55.822 40.375 508 HG11 VAL 62 HG11 VAL 62 43.505 58.479 41.714 509 HG12 VAL 62 HG12 VAL 62 43.104 58.143 40.017 510 HG13 VAL 62 HG13 VAL 62 42.388 57.158 41.301 511 HG21 VAL 62 HG21 VAL 62 45.784 58.356 40.452 512 HG22 VAL 62 HG22 VAL 62 46.416 56.789 39.895 513 HG23 VAL 62 HG23 VAL 62 45.109 57.536 39.010 514 H ASN 63 H ASN 63 43.642 57.279 44.210 515 HA ASN 63 HA ASN 63 41.941 54.898 44.715 516 HB2 ASN 63 HB2 ASN 63 43.259 56.341 46.550 517 HB3 ASN 63 HB3 ASN 63 41.870 57.420 46.341 518 HD21 ASN 63 HD22 ASN 63 42.986 54.220 47.316 519 HD22 ASN 63 HD21 ASN 63 41.481 53.728 48.070 520 H PHE 64 H PHE 64 39.898 54.907 44.017 521 HA PHE 64 HA PHE 64 38.362 57.367 43.642 522 HB2 PHE 64 HB2 PHE 64 37.769 56.966 41.389 523 HB3 PHE 64 HB3 PHE 64 39.517 56.902 41.442 524 HD1 PHE 64 HD2 PHE 64 40.345 54.197 41.981 525 HD2 PHE 64 HD1 PHE 64 36.803 55.515 39.892 526 HE1 PHE 64 HE2 PHE 64 40.342 52.120 40.629 527 HE2 PHE 64 HE1 PHE 64 36.830 53.424 38.552 528 HZ PHE 64 HZ PHE 64 38.660 51.755 38.895 529 H LYS 65 H LYS 65 36.062 56.891 42.986 530 HA LYS 65 HA LYS 65 35.103 54.147 43.610 531 HB2 LYS 65 HB2 LYS 65 33.978 56.753 44.685 532 HB3 LYS 65 HB3 LYS 65 32.946 55.340 44.477 533 HG2 LYS 65 HG2 LYS 65 34.351 54.006 45.961 534 HG3 LYS 65 HG3 LYS 65 35.500 55.359 46.116 535 HD2 LYS 65 HD2 LYS 65 33.771 56.775 47.080 536 HD3 LYS 65 HD3 LYS 65 32.556 55.479 46.905 537 HE2 LYS 65 HE2 LYS 65 33.816 54.075 48.487 538 HE3 LYS 65 HE3 LYS 65 35.088 55.275 48.577 539 HZ1 LYS 65 HZ1 LYS 65 32.350 56.022 49.426 540 HZ2 LYS 65 HZ2 LYS 65 33.360 55.308 50.453 541 HZ3 LYS 65 HZ3 LYS 65 33.745 56.731 49.776 542 H HIS 66 H HIS 66 33.286 53.473 42.636 543 HA HIS 66 HA HIS 66 31.925 54.991 40.589 544 HB2 HIS 66 HB2 HIS 66 33.989 54.394 39.420 545 HB3 HIS 66 HB3 HIS 66 33.737 52.667 39.729 546 HD2 HIS 66 HD2 HIS 66 32.256 55.770 38.027 547 HE1 HIS 66 HE1 HIS 66 30.394 52.512 36.066 548 HE2 HIS 66 HE2 HIS 66 30.715 55.010 36.088 549 H GLU 67 H GLU 67 30.450 53.293 39.347 550 HA GLU 67 HA GLU 67 28.709 52.357 41.436 551 HB2 GLU 67 HB2 GLU 67 28.283 51.974 38.436 552 HB3 GLU 67 HB3 GLU 67 27.079 52.110 39.708 553 HG2 GLU 67 HG2 GLU 67 27.287 54.418 39.881 554 HG3 GLU 67 HG3 GLU 67 28.855 54.511 39.109 555 H VAL 68 H VAL 68 31.144 50.850 39.671 556 HA VAL 68 HA VAL 68 30.667 48.116 40.717 557 HB VAL 68 HB VAL 68 31.428 48.862 37.876 558 HG11 VAL 68 HG11 VAL 68 30.815 46.050 38.890 559 HG12 VAL 68 HG12 VAL 68 31.383 46.536 37.290 560 HG13 VAL 68 HG13 VAL 68 32.464 46.693 38.663 561 HG21 VAL 68 HG21 VAL 68 28.815 47.717 38.941 562 HG22 VAL 68 HG22 VAL 68 29.042 49.245 38.082 563 HG23 VAL 68 HG23 VAL 68 29.253 47.722 37.219 564 H SER 69 H SER 69 32.755 47.063 40.986 565 HA SER 69 HA SER 69 34.987 48.846 41.578 566 HB2 SER 69 HB2 SER 69 34.768 45.835 41.695 567 HB3 SER 69 HB3 SER 69 36.069 46.812 42.387 568 HG SER 69 HG SER 69 34.149 46.137 43.677 569 H VAL 70 H VAL 70 34.771 49.289 38.992 570 HA VAL 70 HA VAL 70 36.424 47.331 37.459 571 HB VAL 70 HB VAL 70 35.566 48.708 35.469 572 HG11 VAL 70 HG11 VAL 70 34.721 46.639 35.338 573 HG12 VAL 70 HG12 VAL 70 34.144 46.596 37.006 574 HG13 VAL 70 HG13 VAL 70 33.199 47.428 35.750 575 HG21 VAL 70 HG21 VAL 70 33.441 49.866 35.677 576 HG22 VAL 70 HG22 VAL 70 33.411 49.589 37.432 577 HG23 VAL 70 HG23 VAL 70 34.647 50.626 36.708 578 HA PRO 71 HA PRO 71 39.507 50.618 37.094 579 HB2 PRO 71 HB2 PRO 71 41.210 49.708 35.285 580 HB3 PRO 71 HB3 PRO 71 40.961 48.837 36.823 581 HG2 PRO 71 HG2 PRO 71 39.706 48.181 34.133 582 HG3 PRO 71 HG3 PRO 71 40.540 47.075 35.233 583 HD2 PRO 71 HD2 PRO 71 37.768 47.413 35.282 584 HD3 PRO 71 HD3 PRO 71 38.723 46.989 36.725 585 H TYR 72 H TYR 72 37.624 51.969 36.320 586 HA TYR 72 HA TYR 72 36.622 51.998 33.731 587 HB2 TYR 72 HB2 TYR 72 35.740 53.058 35.848 588 HB3 TYR 72 HB3 TYR 72 36.752 54.437 35.525 589 HD1 TYR 72 HD1 TYR 72 36.459 55.617 33.183 590 HD2 TYR 72 HD2 TYR 72 33.738 52.581 34.595 591 HE1 TYR 72 HE1 TYR 72 34.668 56.621 31.870 592 HE2 TYR 72 HE2 TYR 72 31.910 53.598 33.288 593 HH TYR 72 HH TYR 72 32.380 56.627 31.568 594 H ALA 73 H ALA 73 39.317 53.962 35.012 595 HA ALA 73 HA ALA 73 39.744 55.548 32.714 596 HB1 ALA 73 HB1 ALA 73 41.617 54.715 34.929 597 HB2 ALA 73 HB2 ALA 73 42.033 55.843 33.607 598 HB3 ALA 73 HB3 ALA 73 40.725 56.249 34.723 599 H MET 74 H MET 74 40.836 52.155 33.310 600 HA MET 74 HA MET 74 42.853 52.033 31.328 601 HB2 MET 74 HB2 MET 74 42.119 50.362 33.230 602 HB3 MET 74 HB3 MET 74 41.043 49.702 31.982 603 HG2 MET 74 HG2 MET 74 42.932 49.415 30.472 604 HG3 MET 74 HG3 MET 74 44.008 50.252 31.594 605 HE1 MET 74 HE1 MET 74 41.409 47.257 32.498 606 HE2 MET 74 HE2 MET 74 42.018 47.131 30.827 607 HE3 MET 74 HE3 MET 74 42.546 45.950 32.059 608 H ASN 75 H ASN 75 39.392 52.238 31.023 609 HA ASN 75 HA ASN 75 39.653 51.811 28.096 610 HB2 ASN 75 HB2 ASN 75 37.884 50.461 29.057 611 HB3 ASN 75 HB3 ASN 75 37.268 51.836 29.982 612 HD21 ASN 75 HD22 ASN 75 35.695 53.128 29.014 613 HD22 ASN 75 HD21 ASN 75 35.232 53.043 27.330 614 H LEU 76 H LEU 76 38.733 54.396 30.418 615 HA LEU 76 HA LEU 76 37.616 56.116 28.462 616 HB2 LEU 76 HB2 LEU 76 37.281 56.144 30.947 617 HB3 LEU 76 HB3 LEU 76 38.936 56.712 31.135 618 HG LEU 76 HG LEU 76 38.423 58.824 30.046 619 HD11 LEU 76 HD11 LEU 76 36.147 59.393 29.306 620 HD12 LEU 76 HD12 LEU 76 36.773 58.054 28.354 621 HD13 LEU 76 HD13 LEU 76 35.617 57.719 29.664 622 HD21 LEU 76 HD21 LEU 76 37.936 58.559 32.454 623 HD22 LEU 76 HD22 LEU 76 36.776 59.671 31.712 624 HD23 LEU 76 HD23 LEU 76 36.289 58.004 32.073 625 H LEU 77 H LEU 77 40.845 55.673 29.584 626 HA LEU 77 HA LEU 77 42.073 57.939 28.042 627 HB2 LEU 77 HB2 LEU 77 43.016 56.918 30.752 628 HB3 LEU 77 HB3 LEU 77 43.629 58.263 29.806 629 HG LEU 77 HG LEU 77 40.811 58.063 30.963 630 HD11 LEU 77 HD11 LEU 77 43.229 59.580 31.934 631 HD12 LEU 77 HD12 LEU 77 41.580 59.678 32.617 632 HD13 LEU 77 HD13 LEU 77 42.509 58.170 32.749 633 HD21 LEU 77 HD21 LEU 77 42.318 60.561 30.036 634 HD22 LEU 77 HD22 LEU 77 41.180 59.710 28.965 635 HD23 LEU 77 HD23 LEU 77 40.617 60.444 30.472 636 H ASN 78 H ASN 78 43.816 55.508 29.819 637 HA ASN 78 HA ASN 78 45.714 54.424 29.088 638 HB2 ASN 78 HB2 ASN 78 43.842 53.037 29.784 639 HB3 ASN 78 HB3 ASN 78 43.361 52.797 28.067 640 HD21 ASN 78 HD22 ASN 78 45.207 51.574 26.781 641 HD22 ASN 78 HD21 ASN 78 46.104 50.403 27.734 642 H GLY 79 H GLY 79 46.573 55.914 27.661 643 HA2 GLY 79 HA2 GLY 79 47.942 55.269 25.549 644 HA3 GLY 79 HA3 GLY 79 46.359 55.282 24.755 645 H ILE 80 H ILE 80 46.895 57.673 27.332 646 HA ILE 80 HA ILE 80 47.030 59.772 25.269 647 HB ILE 80 HB ILE 80 45.228 61.016 26.247 648 HG12 ILE 80 HG12 ILE 80 43.768 59.502 27.959 649 HG13 ILE 80 HG13 ILE 80 45.463 59.172 28.466 650 HG21 ILE 80 HG21 ILE 80 44.072 58.212 26.017 651 HG22 ILE 80 HG22 ILE 80 43.421 59.761 25.409 652 HG23 ILE 80 HG23 ILE 80 44.778 58.971 24.592 653 HD11 ILE 80 HD11 ILE 80 45.804 61.600 28.786 654 HD12 ILE 80 HD12 ILE 80 44.203 61.925 28.071 655 HD13 ILE 80 HD13 ILE 80 44.336 61.125 29.645 656 H LYS 81 H LYS 81 47.528 61.777 25.984 657 HA LYS 81 HA LYS 81 48.904 62.390 28.430 658 HB2 LYS 81 HB2 LYS 81 51.214 62.317 27.271 659 HB3 LYS 81 HB3 LYS 81 50.470 60.902 27.942 660 HG2 LYS 81 HG2 LYS 81 51.495 60.211 25.979 661 HG3 LYS 81 HG3 LYS 81 49.753 60.163 25.657 662 HD2 LYS 81 HD2 LYS 81 50.050 62.292 24.324 663 HD3 LYS 81 HD3 LYS 81 51.765 62.235 24.839 664 HE2 LYS 81 HE2 LYS 81 51.919 59.987 23.707 665 HE3 LYS 81 HE3 LYS 81 50.294 60.211 23.055 666 HZ1 LYS 81 HZ1 LYS 81 52.523 62.062 22.517 667 HZ2 LYS 81 HZ2 LYS 81 52.127 60.869 21.488 668 HZ3 LYS 81 HZ3 LYS 81 51.078 62.063 21.783 669 H LEU 82 H LEU 82 50.577 64.219 27.720 670 HA LEU 82 HA LEU 82 50.052 65.572 25.206 671 HB2 LEU 82 HB2 LEU 82 48.468 66.850 26.270 672 HB3 LEU 82 HB3 LEU 82 49.347 67.030 27.765 673 HG LEU 82 HG LEU 82 51.058 68.419 26.558 674 HD11 LEU 82 HD11 LEU 82 50.148 69.551 24.433 675 HD12 LEU 82 HD12 LEU 82 50.835 67.945 24.234 676 HD13 LEU 82 HD13 LEU 82 49.067 68.150 24.269 677 HD21 LEU 82 HD21 LEU 82 49.690 70.415 26.652 678 HD22 LEU 82 HD22 LEU 82 48.196 69.472 26.460 679 HD23 LEU 82 HD23 LEU 82 49.183 69.303 27.929 680 H TYR 83 H TYR 83 51.980 65.417 28.252 681 HA TYR 83 HA TYR 83 54.360 66.567 27.322 682 HB2 TYR 83 HB2 TYR 83 53.744 64.305 29.259 683 HB3 TYR 83 HB3 TYR 83 55.393 64.854 28.934 684 HD1 TYR 83 HD1 TYR 83 55.752 67.436 29.092 685 HD2 TYR 83 HD2 TYR 83 52.808 65.203 31.313 686 HE1 TYR 83 HE1 TYR 83 55.939 69.056 30.966 687 HE2 TYR 83 HE2 TYR 83 53.120 66.751 33.249 688 HH TYR 83 HH TYR 83 55.290 69.520 33.080 689 H GLY 84 H GLY 84 53.461 63.076 27.093 690 HA2 GLY 84 HA2 GLY 84 54.521 62.534 24.549 691 HA3 GLY 84 HA3 GLY 84 55.897 62.354 25.628 692 H ARG 85 H ARG 85 54.772 61.056 27.847 693 HA ARG 85 HA ARG 85 54.500 58.351 26.614 694 HB2 ARG 85 HB2 ARG 85 55.280 59.172 29.408 695 HB3 ARG 85 HB3 ARG 85 54.971 57.531 28.872 696 HG2 ARG 85 HG2 ARG 85 57.260 57.515 28.559 697 HG3 ARG 85 HG3 ARG 85 56.788 58.086 26.979 698 HD2 ARG 85 HD2 ARG 85 57.101 60.458 27.868 699 HD3 ARG 85 HD3 ARG 85 57.809 59.750 29.329 700 HE ARG 85 HE ARG 85 59.006 59.879 26.633 701 HH11 ARG 85 HH11 ARG 85 59.400 58.363 29.901 702 HH12 ARG 85 HH12 ARG 85 61.100 58.293 29.591 703 HH21 ARG 85 HH21 ARG 85 61.040 59.367 26.439 704 HH22 ARG 85 HH22 ARG 85 61.950 58.466 27.633 705 HA PRO 86 HA PRO 86 50.218 58.894 27.563 706 HB2 PRO 86 HB2 PRO 86 49.305 56.520 26.552 707 HB3 PRO 86 HB3 PRO 86 49.824 57.909 25.516 708 HG2 PRO 86 HG2 PRO 86 51.424 55.457 26.233 709 HG3 PRO 86 HG3 PRO 86 51.189 56.245 24.620 710 HD2 PRO 86 HD2 PRO 86 53.380 56.694 26.191 711 HD3 PRO 86 HD3 PRO 86 52.674 57.972 25.188 712 H ILE 87 H ILE 87 49.157 58.621 29.467 713 HA ILE 87 HA ILE 87 50.015 56.911 31.555 714 HB ILE 87 HB ILE 87 47.401 58.284 30.866 715 HG12 ILE 87 HG12 ILE 87 49.109 59.757 31.588 716 HG13 ILE 87 HG13 ILE 87 47.903 59.615 32.905 717 HG21 ILE 87 HG21 ILE 87 47.803 56.352 33.114 718 HG22 ILE 87 HG22 ILE 87 46.675 57.723 33.318 719 HG23 ILE 87 HG23 ILE 87 46.413 56.595 32.009 720 HD11 ILE 87 HD11 ILE 87 50.654 58.398 32.978 721 HD12 ILE 87 HD12 ILE 87 49.999 59.770 33.896 722 HD13 ILE 87 HD13 ILE 87 49.335 58.154 34.169 723 H LYS 88 H LYS 88 49.848 54.896 31.860 724 HA LYS 88 HA LYS 88 47.865 53.233 30.383 725 HB2 LYS 88 HB2 LYS 88 50.253 52.966 29.761 726 HB3 LYS 88 HB3 LYS 88 50.625 52.588 31.466 727 HG2 LYS 88 HG2 LYS 88 50.516 50.628 29.974 728 HG3 LYS 88 HG3 LYS 88 49.470 50.572 31.420 729 HD2 LYS 88 HD2 LYS 88 47.549 50.775 30.285 730 HD3 LYS 88 HD3 LYS 88 48.281 51.476 28.807 731 HE2 LYS 88 HE2 LYS 88 49.030 48.717 29.774 732 HE3 LYS 88 HE3 LYS 88 47.475 48.930 28.966 733 HZ1 LYS 88 HZ1 LYS 88 50.169 49.314 27.843 734 HZ2 LYS 88 HZ2 LYS 88 48.939 48.400 27.309 735 HZ3 LYS 88 HZ3 LYS 88 48.843 49.996 27.114 736 H ILE 89 H ILE 89 46.282 52.528 31.681 737 HA ILE 89 HA ILE 89 46.735 52.308 34.607 738 HB ILE 89 HB ILE 89 44.228 51.903 32.958 739 HG12 ILE 89 HG12 ILE 89 43.643 54.135 34.288 740 HG13 ILE 89 HG13 ILE 89 45.388 54.375 34.304 741 HG21 ILE 89 HG21 ILE 89 44.772 52.260 35.935 742 HG22 ILE 89 HG22 ILE 89 43.142 52.069 35.196 743 HG23 ILE 89 HG23 ILE 89 44.290 50.736 35.200 744 HD11 ILE 89 HD11 ILE 89 43.900 53.838 31.725 745 HD12 ILE 89 HD12 ILE 89 43.949 55.450 32.449 746 HD13 ILE 89 HD13 ILE 89 45.471 54.665 31.969 747 H GLN 90 H GLN 90 46.784 50.355 35.653 748 HA GLN 90 HA GLN 90 46.370 47.870 34.065 749 HB2 GLN 90 HB2 GLN 90 48.584 48.301 36.078 750 HB3 GLN 90 HB3 GLN 90 48.191 46.774 35.369 751 HG2 GLN 90 HG2 GLN 90 49.057 49.188 33.694 752 HG3 GLN 90 HG3 GLN 90 50.118 47.910 34.311 753 HE21 GLN 90 HE22 GLN 90 47.218 48.390 32.079 754 HE22 GLN 90 HE21 GLN 90 47.658 47.004 31.117 755 H PHE 91 H PHE 91 46.118 46.000 35.583 756 HA PHE 91 HA PHE 91 44.424 46.682 37.904 757 HB2 PHE 91 HB2 PHE 91 43.078 47.103 35.756 758 HB3 PHE 91 HB3 PHE 91 43.302 45.386 35.417 759 HD1 PHE 91 HD2 PHE 91 42.206 47.403 38.446 760 HD2 PHE 91 HD1 PHE 91 41.281 44.240 35.663 761 HE1 PHE 91 HE2 PHE 91 40.251 46.789 39.800 762 HE2 PHE 91 HE1 PHE 91 39.244 43.708 36.972 763 HZ PHE 91 HZ PHE 91 38.770 44.910 39.087 764 H ARG 92 H ARG 92 43.586 44.895 39.046 765 HA ARG 92 HA ARG 92 44.046 42.213 38.014 766 HB2 ARG 92 HB2 ARG 92 46.013 42.849 39.478 767 HB3 ARG 92 HB3 ARG 92 44.939 42.974 40.850 768 HG2 ARG 92 HG2 ARG 92 46.066 40.748 40.775 769 HG3 ARG 92 HG3 ARG 92 44.320 40.574 40.616 770 HD2 ARG 92 HD2 ARG 92 44.471 39.868 38.427 771 HD3 ARG 92 HD3 ARG 92 45.914 40.913 38.118 772 HE ARG 92 HE ARG 92 46.367 38.683 39.941 773 HH11 ARG 92 HH11 ARG 92 46.596 39.732 36.570 774 HH12 ARG 92 HH12 ARG 92 47.998 38.735 36.294 775 HH21 ARG 92 HH21 ARG 92 48.077 37.602 39.561 776 HH22 ARG 92 HH22 ARG 92 48.687 37.388 37.917 777 H SER 93 H SER 93 42.398 40.903 38.281 778 HA SER 93 HA SER 93 39.998 42.054 39.563 779 HB2 SER 93 HB2 SER 93 38.701 40.670 38.034 780 HB3 SER 93 HB3 SER 93 39.920 41.573 37.150 781 HG SER 93 HG SER 93 41.207 39.679 37.205 782 H GLY 94 H GLY 94 38.512 40.760 40.813 783 HA2 GLY 94 HA2 GLY 94 39.149 38.001 41.501 784 HA3 GLY 94 HA3 GLY 94 39.282 39.115 42.864 785 H SER 95 H SER 95 37.484 37.269 43.289 786 HA SER 95 HA SER 95 34.890 37.999 42.065 787 HB2 SER 95 HB2 SER 95 35.324 35.638 43.914 788 HB3 SER 95 HB3 SER 95 34.046 35.921 42.710 789 HG SER 95 HG SER 95 35.716 35.736 41.157 790 H SER 96 H SER 96 35.449 40.107 43.571 791 HA SER 96 HA SER 96 34.306 39.612 46.260 792 HB2 SER 96 HB2 SER 96 35.829 42.007 45.196 793 HB3 SER 96 HB3 SER 96 34.912 42.011 46.697 794 HG SER 96 HG SER 96 37.171 41.377 46.750 795 H HIS 97 H HIS 97 32.669 40.678 47.097 796 HA HIS 97 HA HIS 97 31.075 42.635 45.678 797 HB2 HIS 97 HB2 HIS 97 29.018 41.244 45.533 798 HB3 HIS 97 HB3 HIS 97 30.330 40.613 44.556 799 HD2 HIS 97 HD2 HIS 97 31.072 38.196 44.881 800 HE1 HIS 97 HE1 HIS 97 28.897 37.232 48.399 801 HE2 HIS 97 HE2 HIS 97 30.350 36.318 46.554 802 H ALA 98 H ALA 98 28.977 43.091 47.043 803 HA ALA 98 HA ALA 98 29.223 42.570 49.916 804 HB1 ALA 98 HB1 ALA 98 30.654 44.532 49.771 805 HB2 ALA 98 HB2 ALA 98 29.435 45.394 48.779 806 HB3 ALA 98 HB3 ALA 98 29.100 45.002 50.464 807 HA PRO 99 HA PRO 99 24.796 43.330 49.466 808 HB2 PRO 99 HB2 PRO 99 24.010 43.403 52.049 809 HB3 PRO 99 HB3 PRO 99 24.775 41.950 51.348 810 HG2 PRO 99 HG2 PRO 99 26.168 44.122 52.980 811 HG3 PRO 99 HG3 PRO 99 26.197 42.342 53.231 812 HD2 PRO 99 HD2 PRO 99 28.119 43.687 51.810 813 HD3 PRO 99 HD3 PRO 99 27.639 42.010 51.483 814 H GLN 100 H GLN 100 23.058 44.917 50.162 815 HA GLN 100 HA GLN 100 23.819 47.718 50.220 816 HB2 GLN 100 HB2 GLN 100 21.162 46.240 50.500 817 HB3 GLN 100 HB3 GLN 100 21.301 47.987 50.727 818 HG2 GLN 100 HG2 GLN 100 22.335 48.226 48.530 819 HG3 GLN 100 HG3 GLN 100 22.109 46.481 48.215 820 HE21 GLN 100 HE22 GLN 100 20.543 49.630 48.606 821 HE22 GLN 100 HE21 GLN 100 19.065 49.136 47.791 822 H ASP 101 H ASP 101 22.626 45.382 52.597 823 HA ASP 101 HA ASP 101 24.001 46.604 54.857 824 HB2 ASP 101 HB2 ASP 101 22.155 48.043 54.993 825 HB3 ASP 101 HB3 ASP 101 20.978 46.780 54.730 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 76.725 49.008 31.725 2 H2 GLY 1 H2 GLY 1 77.260 50.556 31.589 3 H3 GLY 1 H3 GLY 1 77.648 49.433 30.452 4 HA2 GLY 1 HA2 GLY 1 75.943 50.968 29.696 5 HA3 GLY 1 HA3 GLY 1 75.502 49.234 29.652 6 H SER 2 H SER 2 74.191 52.108 30.391 7 HA SER 2 HA SER 2 72.879 51.341 32.905 8 HB2 SER 2 HB2 SER 2 73.870 53.496 32.507 9 HB3 SER 2 HB3 SER 2 72.603 53.895 31.316 10 HG SER 2 HG SER 2 72.436 54.316 33.737 11 H GLU 3 H GLU 3 70.510 51.464 33.246 12 HA GLU 3 HA GLU 3 69.458 49.654 31.195 13 HB2 GLU 3 HB2 GLU 3 67.864 48.914 32.801 14 HB3 GLU 3 HB3 GLU 3 69.524 48.794 33.368 15 HG2 GLU 3 HG2 GLU 3 68.964 51.151 34.471 16 HG3 GLU 3 HG3 GLU 3 67.303 50.577 34.280 17 H PHE 4 H PHE 4 67.400 49.767 30.252 18 HA PHE 4 HA PHE 4 65.900 52.315 30.426 19 HB2 PHE 4 HB2 PHE 4 67.586 52.554 28.660 20 HB3 PHE 4 HB3 PHE 4 66.939 51.172 27.810 21 HD1 PHE 4 HD2 PHE 4 66.029 54.603 29.082 22 HD2 PHE 4 HD1 PHE 4 65.325 51.550 26.134 23 HE1 PHE 4 HE2 PHE 4 64.762 56.233 27.691 24 HE2 PHE 4 HE1 PHE 4 64.137 53.224 24.702 25 HZ PHE 4 HZ PHE 4 63.912 55.561 25.460 26 H GLU 5 H GLU 5 65.908 48.918 29.228 27 HA GLU 5 HA GLU 5 62.969 48.843 29.065 28 HB2 GLU 5 HB2 GLU 5 65.276 46.996 28.394 29 HB3 GLU 5 HB3 GLU 5 63.610 46.412 28.300 30 HG2 GLU 5 HG2 GLU 5 64.513 48.923 26.871 31 HG3 GLU 5 HG3 GLU 5 64.620 47.323 26.151 32 H LEU 6 H LEU 6 64.865 48.649 31.606 33 HA LEU 6 HA LEU 6 64.153 46.174 32.949 34 HB2 LEU 6 HB2 LEU 6 65.835 48.515 33.395 35 HB3 LEU 6 HB3 LEU 6 64.870 48.187 34.818 36 HG LEU 6 HG LEU 6 67.110 47.141 34.807 37 HD11 LEU 6 HD11 LEU 6 66.318 44.976 35.726 38 HD12 LEU 6 HD12 LEU 6 65.419 46.397 36.284 39 HD13 LEU 6 HD13 LEU 6 64.697 45.302 35.081 40 HD21 LEU 6 HD21 LEU 6 67.066 46.534 32.359 41 HD22 LEU 6 HD22 LEU 6 67.769 45.400 33.535 42 HD23 LEU 6 HD23 LEU 6 66.178 45.068 32.811 43 H ARG 7 H ARG 7 62.872 45.883 34.787 44 HA ARG 7 HA ARG 7 60.634 47.677 35.413 45 HB2 ARG 7 HB2 ARG 7 60.174 46.223 37.193 46 HB3 ARG 7 HB3 ARG 7 60.256 45.494 35.573 47 HG2 ARG 7 HG2 ARG 7 62.902 45.266 36.606 48 HG3 ARG 7 HG3 ARG 7 61.859 44.997 38.003 49 HD2 ARG 7 HD2 ARG 7 61.427 43.774 35.239 50 HD3 ARG 7 HD3 ARG 7 62.601 43.049 36.344 51 HE ARG 7 HE ARG 7 60.879 42.410 37.872 52 HH11 ARG 7 HH11 ARG 7 59.336 43.498 34.790 53 HH12 ARG 7 HH12 ARG 7 57.853 42.807 35.399 54 HH21 ARG 7 HH21 ARG 7 59.019 41.504 38.233 55 HH22 ARG 7 HH22 ARG 7 57.639 41.896 37.220 56 H ARG 8 H ARG 8 60.495 48.918 37.266 57 HA ARG 8 HA ARG 8 62.640 49.160 39.296 58 HB2 ARG 8 HB2 ARG 8 62.963 50.817 37.418 59 HB3 ARG 8 HB3 ARG 8 61.490 51.625 37.988 60 HG2 ARG 8 HG2 ARG 8 62.676 51.914 40.231 61 HG3 ARG 8 HG3 ARG 8 64.090 51.129 39.513 62 HD2 ARG 8 HD2 ARG 8 64.233 52.987 37.814 63 HD3 ARG 8 HD3 ARG 8 62.824 53.719 38.541 64 HE ARG 8 HE ARG 8 64.077 54.408 40.439 65 HH11 ARG 8 HH11 ARG 8 66.239 52.533 38.320 66 HH12 ARG 8 HH12 ARG 8 67.630 53.143 39.208 67 HH21 ARG 8 HH21 ARG 8 65.829 54.831 41.502 68 HH22 ARG 8 HH22 ARG 8 67.434 54.322 40.956 69 H GLN 9 H GLN 9 60.545 47.721 39.840 70 HA GLN 9 HA GLN 9 58.184 49.145 40.745 71 HB2 GLN 9 HB2 GLN 9 59.043 46.282 41.351 72 HB3 GLN 9 HB3 GLN 9 57.453 46.963 41.604 73 HG2 GLN 9 HG2 GLN 9 57.311 47.454 39.120 74 HG3 GLN 9 HG3 GLN 9 58.805 46.534 38.907 75 HE21 GLN 9 HE22 GLN 9 56.452 45.796 37.611 76 HE22 GLN 9 HE21 GLN 9 55.984 44.234 38.285 77 H GLN 10 H GLN 10 57.280 48.599 43.012 78 HA GLN 10 HA GLN 10 59.377 49.098 45.075 79 HB2 GLN 10 HB2 GLN 10 57.773 50.405 46.297 80 HB3 GLN 10 HB3 GLN 10 57.835 51.000 44.649 81 HG2 GLN 10 HG2 GLN 10 55.755 49.857 44.073 82 HG3 GLN 10 HG3 GLN 10 55.690 49.078 45.658 83 HE21 GLN 10 HE22 GLN 10 53.563 50.027 46.122 84 HE22 GLN 10 HE21 GLN 10 53.496 51.693 46.578 85 H ALA 11 H ALA 11 56.768 46.836 44.373 86 HA ALA 11 HA ALA 11 57.148 45.268 46.813 87 HB1 ALA 11 HB1 ALA 11 54.828 47.216 46.457 88 HB2 ALA 11 HB2 ALA 11 54.621 45.738 47.398 89 HB3 ALA 11 HB3 ALA 11 55.839 46.927 47.874 90 H LEU 12 H LEU 12 55.131 43.610 46.946 91 HA LEU 12 HA LEU 12 54.692 42.058 44.610 92 HB2 LEU 12 HB2 LEU 12 52.846 42.517 46.978 93 HB3 LEU 12 HB3 LEU 12 52.669 41.245 45.799 94 HG LEU 12 HG LEU 12 54.784 41.606 47.919 95 HD11 LEU 12 HD11 LEU 12 53.067 39.167 47.374 96 HD12 LEU 12 HD12 LEU 12 54.061 39.555 48.802 97 HD13 LEU 12 HD13 LEU 12 52.624 40.514 48.445 98 HD21 LEU 12 HD21 LEU 12 55.907 39.465 47.066 99 HD22 LEU 12 HD22 LEU 12 55.034 39.685 45.545 100 HD23 LEU 12 HD23 LEU 12 56.196 40.894 46.084 101 H ALA 13 H ALA 13 53.028 42.005 43.099 102 HA ALA 13 HA ALA 13 51.660 44.578 42.548 103 HB1 ALA 13 HB1 ALA 13 51.465 43.859 40.324 104 HB2 ALA 13 HB2 ALA 13 53.116 43.450 40.832 105 HB3 ALA 13 HB3 ALA 13 51.887 42.175 40.719 106 H GLU 14 H GLU 14 49.613 44.707 43.407 107 HA GLU 14 HA GLU 14 47.866 42.335 43.644 108 HB2 GLU 14 HB2 GLU 14 48.576 44.242 45.934 109 HB3 GLU 14 HB3 GLU 14 47.364 42.973 45.986 110 HG2 GLU 14 HG2 GLU 14 49.245 41.304 45.560 111 HG3 GLU 14 HG3 GLU 14 50.384 42.620 45.731 112 H ALA 15 H ALA 15 45.542 43.050 43.831 113 HA ALA 15 HA ALA 15 45.154 45.955 43.302 114 HB1 ALA 15 HB1 ALA 15 43.387 43.670 42.374 115 HB2 ALA 15 HB2 ALA 15 43.027 45.393 42.207 116 HB3 ALA 15 HB3 ALA 15 44.405 44.719 41.329 117 H ASP 16 H ASP 16 43.315 46.949 43.968 118 HA ASP 16 HA ASP 16 41.548 46.076 46.076 119 HB2 ASP 16 HB2 ASP 16 42.472 47.369 47.847 120 HB3 ASP 16 HB3 ASP 16 43.787 46.438 47.220 121 H ARG 17 H ARG 17 40.678 48.497 46.863 122 HA ARG 17 HA ARG 17 39.151 49.669 44.800 123 HB2 ARG 17 HB2 ARG 17 38.857 51.517 46.549 124 HB3 ARG 17 HB3 ARG 17 38.479 49.844 46.988 125 HG2 ARG 17 HG2 ARG 17 40.930 49.865 48.057 126 HG3 ARG 17 HG3 ARG 17 40.816 51.615 47.856 127 HD2 ARG 17 HD2 ARG 17 38.598 51.540 49.059 128 HD3 ARG 17 HD3 ARG 17 38.728 49.789 49.142 129 HE ARG 17 HE ARG 17 40.371 51.721 50.671 130 HH11 ARG 17 HH11 ARG 17 39.972 48.295 49.653 131 HH12 ARG 17 HH12 ARG 17 40.754 47.753 51.101 132 HH21 ARG 17 HH21 ARG 17 41.035 50.873 52.486 133 HH22 ARG 17 HH22 ARG 17 41.088 49.130 52.757 134 H THR 18 H THR 18 42.445 50.287 45.447 135 HA THR 18 HA THR 18 42.477 52.899 44.056 136 HB THR 18 HB THR 18 44.587 51.205 45.399 137 HG1 THR 18 HG1 THR 18 43.741 52.138 47.007 138 HG21 THR 18 HG21 THR 18 45.593 52.805 43.628 139 HG22 THR 18 HG22 THR 18 45.084 54.127 44.708 140 HG23 THR 18 HG23 THR 18 46.204 52.901 45.288 141 H LEU 19 H LEU 19 43.839 53.150 42.230 142 HA LEU 19 HA LEU 19 43.903 50.810 40.388 143 HB2 LEU 19 HB2 LEU 19 43.116 53.716 40.051 144 HB3 LEU 19 HB3 LEU 19 43.820 52.829 38.718 145 HG LEU 19 HG LEU 19 42.063 51.061 38.995 146 HD11 LEU 19 HD11 LEU 19 40.740 53.058 40.894 147 HD12 LEU 19 HD12 LEU 19 39.947 51.643 40.153 148 HD13 LEU 19 HD13 LEU 19 41.257 51.411 41.289 149 HD21 LEU 19 HD21 LEU 19 42.000 52.910 37.331 150 HD22 LEU 19 HD22 LEU 19 40.375 52.382 37.805 151 HD23 LEU 19 HD23 LEU 19 41.055 53.888 38.467 152 H PHE 20 H PHE 20 45.874 50.236 39.666 153 HA PHE 20 HA PHE 20 48.279 51.835 40.180 154 HB2 PHE 20 HB2 PHE 20 48.222 49.344 40.261 155 HB3 PHE 20 HB3 PHE 20 47.948 49.305 38.523 156 HD1 PHE 20 HD1 PHE 20 49.860 50.660 37.049 157 HD2 PHE 20 HD2 PHE 20 50.291 49.348 41.140 158 HE1 PHE 20 HE1 PHE 20 52.305 50.770 36.827 159 HE2 PHE 20 HE2 PHE 20 52.725 49.556 40.951 160 HZ PHE 20 HZ PHE 20 53.757 50.306 38.783 161 H VAL 21 H VAL 21 49.302 53.131 38.657 162 HA VAL 21 HA VAL 21 48.472 52.958 35.812 163 HB VAL 21 HB VAL 21 49.118 55.528 37.325 164 HG11 VAL 21 HG11 VAL 21 48.093 56.673 35.473 165 HG12 VAL 21 HG12 VAL 21 49.339 55.581 34.826 166 HG13 VAL 21 HG13 VAL 21 47.591 55.155 34.736 167 HG21 VAL 21 HG21 VAL 21 47.055 54.877 38.337 168 HG22 VAL 21 HG22 VAL 21 46.582 56.006 37.074 169 HG23 VAL 21 HG23 VAL 21 46.393 54.262 36.810 170 H GLY 22 H GLY 22 50.206 52.760 34.468 171 HA2 GLY 22 HA2 GLY 22 52.924 53.496 35.446 172 HA3 GLY 22 HA3 GLY 22 52.708 51.984 34.635 173 H ASN 23 H ASN 23 54.401 53.394 33.380 174 HA ASN 23 HA ASN 23 55.019 54.165 31.319 175 HB2 ASN 23 HB2 ASN 23 52.665 53.087 30.559 176 HB3 ASN 23 HB3 ASN 23 52.216 54.756 30.430 177 HD21 ASN 23 HD21 ASN 23 52.031 54.574 28.168 178 HD22 ASN 23 HD22 ASN 23 53.483 54.461 27.146 179 H LEU 24 H LEU 24 54.445 55.724 33.747 180 HA LEU 24 HA LEU 24 53.177 58.203 33.114 181 HB2 LEU 24 HB2 LEU 24 55.142 57.398 35.282 182 HB3 LEU 24 HB3 LEU 24 54.459 59.004 35.090 183 HG LEU 24 HG LEU 24 53.528 57.268 36.849 184 HD11 LEU 24 HD11 LEU 24 51.987 59.118 35.069 185 HD12 LEU 24 HD12 LEU 24 51.111 58.310 36.377 186 HD13 LEU 24 HD13 LEU 24 52.444 59.373 36.797 187 HD21 LEU 24 HD21 LEU 24 52.971 55.537 35.135 188 HD22 LEU 24 HD22 LEU 24 51.599 56.016 36.179 189 HD23 LEU 24 HD23 LEU 24 51.693 56.623 34.519 190 H GLU 25 H GLU 25 53.948 60.164 32.611 191 HA GLU 25 HA GLU 25 56.400 60.382 31.247 192 HB2 GLU 25 HB2 GLU 25 54.079 62.058 31.796 193 HB3 GLU 25 HB3 GLU 25 55.544 63.025 31.967 194 HG2 GLU 25 HG2 GLU 25 55.033 61.248 29.573 195 HG3 GLU 25 HG3 GLU 25 54.303 62.828 29.682 196 H THR 26 H THR 26 57.910 61.849 31.513 197 HA THR 26 HA THR 26 59.653 61.252 33.654 198 HB THR 26 HB THR 26 61.232 62.476 32.307 199 HG1 THR 26 HG1 THR 26 59.078 63.459 30.827 200 HG21 THR 26 HG21 THR 26 59.212 60.944 30.528 201 HG22 THR 26 HG22 THR 26 60.816 61.472 30.027 202 HG23 THR 26 HG23 THR 26 60.594 60.303 31.357 203 H LYS 27 H LYS 27 57.428 63.786 33.195 204 HA LYS 27 HA LYS 27 58.196 65.453 35.585 205 HB2 LYS 27 HB2 LYS 27 57.505 66.270 32.775 206 HB3 LYS 27 HB3 LYS 27 57.006 67.283 34.098 207 HG2 LYS 27 HG2 LYS 27 59.898 66.329 33.903 208 HG3 LYS 27 HG3 LYS 27 59.333 67.708 32.973 209 HD2 LYS 27 HD2 LYS 27 59.253 67.502 36.027 210 HD3 LYS 27 HD3 LYS 27 60.444 68.381 35.077 211 HE2 LYS 27 HE2 LYS 27 58.736 69.848 34.136 212 HE3 LYS 27 HE3 LYS 27 57.447 68.931 34.901 213 HZ1 LYS 27 HZ1 LYS 27 57.883 70.883 36.098 214 HZ2 LYS 27 HZ2 LYS 27 58.330 69.659 37.050 215 HZ3 LYS 27 HZ3 LYS 27 59.479 70.558 36.302 216 H VAL 28 H VAL 28 56.208 63.109 35.016 217 HA VAL 28 HA VAL 28 53.613 64.188 35.229 218 HB VAL 28 HB VAL 28 54.250 61.824 34.685 219 HG11 VAL 28 HG11 VAL 28 55.794 61.295 36.495 220 HG12 VAL 28 HG12 VAL 28 54.569 61.638 37.728 221 HG13 VAL 28 HG13 VAL 28 54.400 60.218 36.704 222 HG21 VAL 28 HG21 VAL 28 52.134 61.995 36.830 223 HG22 VAL 28 HG22 VAL 28 51.975 62.800 35.260 224 HG23 VAL 28 HG23 VAL 28 52.180 61.063 35.286 225 H THR 29 H THR 29 52.189 64.284 37.062 226 HA THR 29 HA THR 29 53.232 64.407 39.782 227 HB THR 29 HB THR 29 52.407 66.856 40.083 228 HG1 THR 29 HG1 THR 29 52.562 68.025 38.197 229 HG21 THR 29 HG21 THR 29 54.527 67.815 39.444 230 HG22 THR 29 HG22 THR 29 54.820 66.158 39.980 231 HG23 THR 29 HG23 THR 29 54.786 66.543 38.240 232 H GLU 30 H GLU 30 51.448 65.128 41.324 233 HA GLU 30 HA GLU 30 49.131 63.497 40.847 234 HB2 GLU 30 HB2 GLU 30 49.527 65.647 42.972 235 HB3 GLU 30 HB3 GLU 30 48.401 64.279 43.043 236 HG2 GLU 30 HG2 GLU 30 50.422 62.740 42.884 237 HG3 GLU 30 HG3 GLU 30 51.444 64.151 43.065 238 H GLU 31 H GLU 31 49.892 66.898 40.377 239 HA GLU 31 HA GLU 31 47.242 67.897 40.050 240 HB2 GLU 31 HB2 GLU 31 49.835 68.642 38.592 241 HB3 GLU 31 HB3 GLU 31 48.369 69.608 38.568 242 HG2 GLU 31 HG2 GLU 31 48.522 70.065 40.952 243 HG3 GLU 31 HG3 GLU 31 49.832 68.936 41.174 244 H LEU 32 H LEU 32 49.482 66.373 37.763 245 HA LEU 32 HA LEU 32 47.713 66.530 35.509 246 HB2 LEU 32 HB2 LEU 32 50.125 66.505 35.279 247 HB3 LEU 32 HB3 LEU 32 50.239 64.886 35.964 248 HG LEU 32 HG LEU 32 49.057 63.941 33.986 249 HD11 LEU 32 HD11 LEU 32 48.902 65.456 31.926 250 HD12 LEU 32 HD12 LEU 32 47.654 65.779 33.136 251 HD13 LEU 32 HD13 LEU 32 49.088 66.832 32.999 252 HD21 LEU 32 HD21 LEU 32 50.813 64.235 32.379 253 HD22 LEU 32 HD22 LEU 32 51.166 65.863 32.980 254 HD23 LEU 32 HD23 LEU 32 51.650 64.469 33.944 255 H LEU 33 H LEU 33 48.472 63.757 37.681 256 HA LEU 33 HA LEU 33 46.682 61.948 36.357 257 HB2 LEU 33 HB2 LEU 33 47.609 62.130 39.234 258 HB3 LEU 33 HB3 LEU 33 46.850 60.689 38.534 259 HG LEU 33 HG LEU 33 49.468 62.010 37.663 260 HD11 LEU 33 HD11 LEU 33 49.163 59.363 39.074 261 HD12 LEU 33 HD12 LEU 33 50.647 60.128 38.456 262 HD13 LEU 33 HD13 LEU 33 49.732 60.921 39.767 263 HD21 LEU 33 HD21 LEU 33 48.382 60.895 35.732 264 HD22 LEU 33 HD22 LEU 33 49.953 60.282 36.186 265 HD23 LEU 33 HD23 LEU 33 48.503 59.343 36.626 266 H PHE 34 H PHE 34 46.061 64.258 39.040 267 HA PHE 34 HA PHE 34 43.402 63.396 39.528 268 HB2 PHE 34 HB2 PHE 34 44.924 64.861 40.953 269 HB3 PHE 34 HB3 PHE 34 44.447 66.210 39.927 270 HD1 PHE 34 HD1 PHE 34 41.863 66.663 39.749 271 HD2 PHE 34 HD2 PHE 34 43.694 64.256 42.832 272 HE1 PHE 34 HE1 PHE 34 39.804 66.798 41.076 273 HE2 PHE 34 HE2 PHE 34 41.659 64.490 44.213 274 HZ PHE 34 HZ PHE 34 39.658 65.635 43.299 275 H GLU 35 H GLU 35 44.581 66.012 37.277 276 HA GLU 35 HA GLU 35 41.935 66.631 36.314 277 HB2 GLU 35 HB2 GLU 35 42.851 67.967 34.702 278 HB3 GLU 35 HB3 GLU 35 43.854 68.142 36.133 279 HG2 GLU 35 HG2 GLU 35 45.608 66.787 35.100 280 HG3 GLU 35 HG3 GLU 35 44.574 66.435 33.715 281 H LEU 36 H LEU 36 44.319 64.215 35.285 282 HA LEU 36 HA LEU 36 42.905 63.369 32.935 283 HB2 LEU 36 HB2 LEU 36 45.251 63.228 33.131 284 HB3 LEU 36 HB3 LEU 36 45.198 62.216 34.557 285 HG LEU 36 HG LEU 36 43.998 61.273 31.928 286 HD11 LEU 36 HD11 LEU 36 46.902 61.244 32.778 287 HD12 LEU 36 HD12 LEU 36 46.217 60.036 31.637 288 HD13 LEU 36 HD13 LEU 36 46.206 61.734 31.217 289 HD21 LEU 36 HD21 LEU 36 43.531 59.834 33.925 290 HD22 LEU 36 HD22 LEU 36 44.726 59.014 32.938 291 HD23 LEU 36 HD23 LEU 36 45.248 59.918 34.374 292 H PHE 37 H PHE 37 42.884 62.110 36.294 293 HA PHE 37 HA PHE 37 41.054 59.991 35.459 294 HB2 PHE 37 HB2 PHE 37 42.545 60.523 38.041 295 HB3 PHE 37 HB3 PHE 37 41.425 59.174 37.834 296 HD1 PHE 37 HD2 PHE 37 41.724 57.879 35.489 297 HD2 PHE 37 HD1 PHE 37 44.810 59.894 37.714 298 HE1 PHE 37 HE2 PHE 37 43.449 56.336 34.517 299 HE2 PHE 37 HE1 PHE 37 46.525 58.485 36.611 300 HZ PHE 37 HZ PHE 37 45.817 56.675 35.031 301 H HIS 38 H HIS 38 40.615 63.017 37.112 302 HA HIS 38 HA HIS 38 38.120 62.789 38.362 303 HB2 HIS 38 HB2 HIS 38 39.426 64.759 38.381 304 HB3 HIS 38 HB3 HIS 38 39.483 64.866 36.619 305 HD2 HIS 38 HD2 HIS 38 37.038 65.373 39.572 306 HE1 HIS 38 HE1 HIS 38 35.613 67.743 36.352 307 HE2 HIS 38 HE2 HIS 38 35.202 67.021 38.736 308 H GLN 39 H GLN 39 38.791 62.890 34.878 309 HA GLN 39 HA GLN 39 36.012 62.862 34.036 310 HB2 GLN 39 HB2 GLN 39 38.391 61.766 32.483 311 HB3 GLN 39 HB3 GLN 39 36.839 62.297 31.853 312 HG2 GLN 39 HG2 GLN 39 37.363 64.463 31.842 313 HG3 GLN 39 HG3 GLN 39 38.504 64.388 33.205 314 HE21 GLN 39 HE22 GLN 39 40.782 64.335 32.643 315 HE22 GLN 39 HE21 GLN 39 41.274 64.182 30.968 316 H ALA 40 H ALA 40 38.028 60.351 35.256 317 HA ALA 40 HA ALA 40 36.458 58.217 33.922 318 HB1 ALA 40 HB1 ALA 40 39.029 58.170 34.041 319 HB2 ALA 40 HB2 ALA 40 38.826 57.888 35.786 320 HB3 ALA 40 HB3 ALA 40 38.159 56.726 34.618 321 H GLY 41 H GLY 41 36.294 60.056 36.650 322 HA2 GLY 41 HA2 GLY 41 33.974 59.657 37.526 323 HA3 GLY 41 HA3 GLY 41 34.547 58.097 38.085 324 HA PRO 42 HA PRO 42 35.122 61.163 41.504 325 HB2 PRO 42 HB2 PRO 42 34.049 59.737 43.608 326 HB3 PRO 42 HB3 PRO 42 33.095 60.636 42.391 327 HG2 PRO 42 HG2 PRO 42 33.875 57.733 42.344 328 HG3 PRO 42 HG3 PRO 42 32.205 58.417 42.228 329 HD2 PRO 42 HD2 PRO 42 33.456 57.790 39.949 330 HD3 PRO 42 HD3 PRO 42 32.708 59.405 40.065 331 H VAL 43 H VAL 43 37.397 61.120 41.304 332 HA VAL 43 HA VAL 43 38.908 59.058 42.734 333 HB VAL 43 HB VAL 43 40.965 60.214 42.179 334 HG11 VAL 43 HG11 VAL 43 40.918 59.690 39.833 335 HG12 VAL 43 HG12 VAL 43 39.893 58.545 40.733 336 HG13 VAL 43 HG13 VAL 43 39.148 59.880 39.790 337 HG21 VAL 43 HG21 VAL 43 40.287 62.567 42.040 338 HG22 VAL 43 HG22 VAL 43 41.060 61.991 40.562 339 HG23 VAL 43 HG23 VAL 43 39.283 62.171 40.607 340 H ILE 44 H ILE 44 39.878 59.170 44.611 341 HA ILE 44 HA ILE 44 38.764 61.106 46.544 342 HB ILE 44 HB ILE 44 40.113 58.392 46.852 343 HG12 ILE 44 HG12 ILE 44 38.005 57.938 45.848 344 HG13 ILE 44 HG13 ILE 44 37.863 57.609 47.564 345 HG21 ILE 44 HG21 ILE 44 38.849 60.368 48.766 346 HG22 ILE 44 HG22 ILE 44 39.085 58.655 49.196 347 HG23 ILE 44 HG23 ILE 44 40.484 59.689 48.828 348 HD11 ILE 44 HD11 ILE 44 35.881 58.727 46.630 349 HD12 ILE 44 HD12 ILE 44 36.633 59.661 47.948 350 HD13 ILE 44 HD13 ILE 44 36.838 60.174 46.263 351 H LYS 45 H LYS 45 41.857 59.575 45.723 352 HA LYS 45 HA LYS 45 43.295 61.965 46.306 353 HB2 LYS 45 HB2 LYS 45 44.696 61.292 48.072 354 HB3 LYS 45 HB3 LYS 45 43.054 61.067 48.613 355 HG2 LYS 45 HG2 LYS 45 44.256 58.630 47.426 356 HG3 LYS 45 HG3 LYS 45 45.125 59.197 48.839 357 HD2 LYS 45 HD2 LYS 45 42.183 58.485 48.657 358 HD3 LYS 45 HD3 LYS 45 43.434 57.491 49.396 359 HE2 LYS 45 HE2 LYS 45 42.748 60.253 50.469 360 HE3 LYS 45 HE3 LYS 45 41.781 58.852 50.886 361 HZ1 LYS 45 HZ1 LYS 45 43.458 57.918 52.107 362 HZ2 LYS 45 HZ2 LYS 45 44.664 58.770 51.389 363 HZ3 LYS 45 HZ3 LYS 45 43.651 59.493 52.393 364 H VAL 46 H VAL 46 45.472 61.804 45.662 365 HA VAL 46 HA VAL 46 46.060 59.626 43.673 366 HB VAL 46 HB VAL 46 46.556 62.625 43.496 367 HG11 VAL 46 HG11 VAL 46 47.119 60.497 41.397 368 HG12 VAL 46 HG12 VAL 46 47.250 62.278 41.240 369 HG13 VAL 46 HG13 VAL 46 48.361 61.399 42.301 370 HG21 VAL 46 HG21 VAL 46 44.181 62.053 43.033 371 HG22 VAL 46 HG22 VAL 46 45.005 62.468 41.524 372 HG23 VAL 46 HG23 VAL 46 44.690 60.765 41.933 373 H LYS 47 H LYS 47 48.144 58.979 43.441 374 HA LYS 47 HA LYS 47 50.176 60.044 45.307 375 HB2 LYS 47 HB2 LYS 47 49.394 58.083 46.448 376 HB3 LYS 47 HB3 LYS 47 49.159 57.203 44.962 377 HG2 LYS 47 HG2 LYS 47 51.096 56.222 46.127 378 HG3 LYS 47 HG3 LYS 47 51.682 57.019 44.681 379 HD2 LYS 47 HD2 LYS 47 52.215 59.042 46.095 380 HD3 LYS 47 HD3 LYS 47 51.706 58.128 47.511 381 HE2 LYS 47 HE2 LYS 47 53.915 57.109 45.654 382 HE3 LYS 47 HE3 LYS 47 54.224 58.356 46.872 383 HZ1 LYS 47 HZ1 LYS 47 54.760 56.250 47.760 384 HZ2 LYS 47 HZ2 LYS 47 53.465 56.755 48.537 385 HZ3 LYS 47 HZ3 LYS 47 53.344 55.581 47.389 386 H ILE 48 H ILE 48 51.754 60.751 44.387 387 HA ILE 48 HA ILE 48 53.016 59.371 42.072 388 HB ILE 48 HB ILE 48 52.967 62.203 43.120 389 HG12 ILE 48 HG12 ILE 48 51.422 61.196 41.353 390 HG13 ILE 48 HG13 ILE 48 52.253 62.696 40.927 391 HG21 ILE 48 HG21 ILE 48 55.266 60.949 41.752 392 HG22 ILE 48 HG22 ILE 48 54.803 62.609 41.283 393 HG23 ILE 48 HG23 ILE 48 55.204 62.274 42.963 394 HD11 ILE 48 HD11 ILE 48 52.841 59.887 39.915 395 HD12 ILE 48 HD12 ILE 48 52.363 61.343 39.004 396 HD13 ILE 48 HD13 ILE 48 53.981 61.232 39.704 397 HA PRO 49 HA PRO 49 56.129 58.147 45.179 398 HB2 PRO 49 HB2 PRO 49 57.607 56.623 43.420 399 HB3 PRO 49 HB3 PRO 49 56.192 55.996 44.318 400 HG2 PRO 49 HG2 PRO 49 56.388 56.971 41.467 401 HG3 PRO 49 HG3 PRO 49 55.450 55.573 42.085 402 HD2 PRO 49 HD2 PRO 49 54.422 58.024 41.455 403 HD3 PRO 49 HD3 PRO 49 53.670 57.002 42.693 404 H LYS 50 H LYS 50 58.579 58.366 45.057 405 HA LYS 50 HA LYS 50 59.822 59.830 42.929 406 HB2 LYS 50 HB2 LYS 50 59.132 61.252 45.500 407 HB3 LYS 50 HB3 LYS 50 60.666 61.573 44.696 408 HG2 LYS 50 HG2 LYS 50 59.002 61.684 42.516 409 HG3 LYS 50 HG3 LYS 50 57.872 62.191 43.763 410 HD2 LYS 50 HD2 LYS 50 59.438 64.060 44.351 411 HD3 LYS 50 HD3 LYS 50 60.640 63.363 43.265 412 HE2 LYS 50 HE2 LYS 50 59.218 63.724 41.319 413 HE3 LYS 50 HE3 LYS 50 57.879 64.258 42.300 414 HZ1 LYS 50 HZ1 LYS 50 60.468 65.714 42.187 415 HZ2 LYS 50 HZ2 LYS 50 59.181 66.140 41.350 416 HZ3 LYS 50 HZ3 LYS 50 59.157 66.214 42.970 417 H ASP 51 H ASP 51 61.410 58.748 42.699 418 HA ASP 51 HA ASP 51 63.037 57.244 44.514 419 HB2 ASP 51 HB2 ASP 51 62.877 57.448 41.785 420 HB3 ASP 51 HB3 ASP 51 64.319 58.408 42.075 421 H LYS 52 H LYS 52 65.443 57.843 44.833 422 HA LYS 52 HA LYS 52 65.600 60.134 46.547 423 HB2 LYS 52 HB2 LYS 52 68.029 59.629 46.625 424 HB3 LYS 52 HB3 LYS 52 67.000 58.217 46.891 425 HG2 LYS 52 HG2 LYS 52 68.395 57.194 45.508 426 HG3 LYS 52 HG3 LYS 52 67.432 57.911 44.218 427 HD2 LYS 52 HD2 LYS 52 69.095 59.650 43.858 428 HD3 LYS 52 HD3 LYS 52 69.969 59.177 45.345 429 HE2 LYS 52 HE2 LYS 52 70.010 56.807 44.260 430 HE3 LYS 52 HE3 LYS 52 69.697 57.665 42.755 431 HZ1 LYS 52 HZ1 LYS 52 72.063 57.288 43.369 432 HZ2 LYS 52 HZ2 LYS 52 71.674 58.807 42.978 433 HZ3 LYS 52 HZ3 LYS 52 71.915 58.446 44.558 434 H ASP 53 H ASP 53 66.481 59.686 43.267 435 HA ASP 53 HA ASP 53 67.689 62.165 42.632 436 HB2 ASP 53 HB2 ASP 53 67.662 59.980 41.373 437 HB3 ASP 53 HB3 ASP 53 65.969 60.234 40.996 438 H GLY 54 H GLY 54 64.322 61.330 43.181 439 HA2 GLY 54 HA2 GLY 54 62.653 62.951 43.596 440 HA3 GLY 54 HA3 GLY 54 63.443 64.074 42.487 441 H LYS 55 H LYS 55 62.566 60.562 41.933 442 HA LYS 55 HA LYS 55 60.825 61.542 39.740 443 HB2 LYS 55 HB2 LYS 55 63.143 61.018 39.038 444 HB3 LYS 55 HB3 LYS 55 62.886 59.326 39.523 445 HG2 LYS 55 HG2 LYS 55 62.473 59.321 37.181 446 HG3 LYS 55 HG3 LYS 55 60.877 59.358 37.900 447 HD2 LYS 55 HD2 LYS 55 60.693 61.000 36.257 448 HD3 LYS 55 HD3 LYS 55 61.056 61.974 37.677 449 HE2 LYS 55 HE2 LYS 55 63.588 61.584 36.777 450 HE3 LYS 55 HE3 LYS 55 62.710 61.390 35.259 451 HZ1 LYS 55 HZ1 LYS 55 63.308 63.709 35.656 452 HZ2 LYS 55 HZ2 LYS 55 61.678 63.564 35.655 453 HZ3 LYS 55 HZ3 LYS 55 62.523 63.738 37.039 454 HA PRO 56 HA PRO 56 57.952 58.521 41.180 455 HB2 PRO 56 HB2 PRO 56 56.157 58.610 39.032 456 HB3 PRO 56 HB3 PRO 56 56.181 59.776 40.398 457 HG2 PRO 56 HG2 PRO 56 57.305 59.913 37.657 458 HG3 PRO 56 HG3 PRO 56 56.602 61.271 38.644 459 HD2 PRO 56 HD2 PRO 56 59.328 60.907 38.305 460 HD3 PRO 56 HD3 PRO 56 58.562 61.690 39.726 461 H LYS 57 H LYS 57 60.245 57.706 39.039 462 HA LYS 57 HA LYS 57 60.883 55.681 38.054 463 HB2 LYS 57 HB2 LYS 57 58.907 54.426 39.949 464 HB3 LYS 57 HB3 LYS 57 60.381 53.730 39.288 465 HG2 LYS 57 HG2 LYS 57 61.287 54.234 41.269 466 HG3 LYS 57 HG3 LYS 57 61.424 55.876 40.698 467 HD2 LYS 57 HD2 LYS 57 59.325 56.532 41.777 468 HD3 LYS 57 HD3 LYS 57 58.939 54.846 42.185 469 HE2 LYS 57 HE2 LYS 57 61.556 55.998 43.000 470 HE3 LYS 57 HE3 LYS 57 60.104 56.530 43.903 471 HZ1 LYS 57 HZ1 LYS 57 61.326 54.524 44.749 472 HZ2 LYS 57 HZ2 LYS 57 59.736 54.396 44.676 473 HZ3 LYS 57 HZ3 LYS 57 60.678 53.671 43.546 474 H GLN 58 H GLN 58 58.646 57.031 36.708 475 HA GLN 58 HA GLN 58 57.100 56.798 35.169 476 HB2 GLN 58 HB2 GLN 58 58.691 54.324 34.514 477 HB3 GLN 58 HB3 GLN 58 57.312 54.942 33.587 478 HG2 GLN 58 HG2 GLN 58 58.546 57.227 33.593 479 HG3 GLN 58 HG3 GLN 58 59.993 56.393 34.045 480 HE21 GLN 58 HE21 GLN 58 57.647 56.981 31.604 481 HE22 GLN 58 HE22 GLN 58 58.285 55.946 30.322 482 H PHE 59 H PHE 59 56.160 56.045 37.736 483 HA PHE 59 HA PHE 59 53.756 54.635 36.916 484 HB2 PHE 59 HB2 PHE 59 53.716 52.809 38.094 485 HB3 PHE 59 HB3 PHE 59 55.346 52.814 37.465 486 HD1 PHE 59 HD2 PHE 59 57.275 53.122 39.132 487 HD2 PHE 59 HD1 PHE 59 53.163 52.890 40.372 488 HE1 PHE 59 HE2 PHE 59 57.997 52.782 41.487 489 HE2 PHE 59 HE1 PHE 59 53.877 52.661 42.733 490 HZ PHE 59 HZ PHE 59 56.283 52.650 43.308 491 H ALA 60 H ALA 60 52.034 54.711 38.609 492 HA ALA 60 HA ALA 60 52.346 56.352 41.038 493 HB1 ALA 60 HB1 ALA 60 50.437 57.240 38.882 494 HB2 ALA 60 HB2 ALA 60 50.976 58.135 40.327 495 HB3 ALA 60 HB3 ALA 60 52.107 57.879 38.997 496 H PHE 61 H PHE 61 50.081 56.682 42.073 497 HA PHE 61 HA PHE 61 48.157 54.469 41.597 498 HB2 PHE 61 HB2 PHE 61 49.475 55.285 44.203 499 HB3 PHE 61 HB3 PHE 61 47.868 54.596 44.179 500 HD1 PHE 61 HD1 PHE 61 47.524 52.307 43.065 501 HD2 PHE 61 HD2 PHE 61 51.412 53.940 43.941 502 HE1 PHE 61 HE1 PHE 61 48.429 50.011 43.327 503 HE2 PHE 61 HE2 PHE 61 52.358 51.630 43.984 504 HZ PHE 61 HZ PHE 61 50.864 49.681 43.740 505 H VAL 62 H VAL 62 45.987 54.905 42.265 506 HA VAL 62 HA VAL 62 45.178 57.691 42.860 507 HB VAL 62 HB VAL 62 44.205 56.144 40.403 508 HG11 VAL 62 HG11 VAL 62 43.544 58.927 41.461 509 HG12 VAL 62 HG12 VAL 62 43.145 58.346 39.832 510 HG13 VAL 62 HG13 VAL 62 42.422 57.562 41.255 511 HG21 VAL 62 HG21 VAL 62 46.488 57.152 40.025 512 HG22 VAL 62 HG22 VAL 62 45.191 57.735 38.986 513 HG23 VAL 62 HG23 VAL 62 45.721 58.748 40.356 514 H ASN 63 H ASN 63 43.695 57.565 44.372 515 HA ASN 63 HA ASN 63 42.360 55.019 44.967 516 HB2 ASN 63 HB2 ASN 63 43.524 56.540 46.750 517 HB3 ASN 63 HB3 ASN 63 42.196 57.629 46.553 518 HD21 ASN 63 HD22 ASN 63 42.303 53.979 46.803 519 HD22 ASN 63 HD21 ASN 63 40.940 53.991 47.934 520 H PHE 64 H PHE 64 40.354 54.496 44.149 521 HA PHE 64 HA PHE 64 38.420 56.663 43.433 522 HB2 PHE 64 HB2 PHE 64 39.455 54.926 41.801 523 HB3 PHE 64 HB3 PHE 64 38.355 53.791 42.517 524 HD1 PHE 64 HD2 PHE 64 35.695 54.597 42.366 525 HD2 PHE 64 HD1 PHE 64 38.881 56.219 39.955 526 HE1 PHE 64 HE2 PHE 64 34.103 55.030 40.529 527 HE2 PHE 64 HE1 PHE 64 37.288 56.494 38.062 528 HZ PHE 64 HZ PHE 64 34.929 55.770 38.309 529 H LYS 65 H LYS 65 36.234 56.375 43.909 530 HA LYS 65 HA LYS 65 35.571 55.728 46.545 531 HB2 LYS 65 HB2 LYS 65 34.468 57.274 44.934 532 HB3 LYS 65 HB3 LYS 65 33.641 55.903 44.192 533 HG2 LYS 65 HG2 LYS 65 32.235 55.585 46.063 534 HG3 LYS 65 HG3 LYS 65 33.308 56.484 47.144 535 HD2 LYS 65 HD2 LYS 65 31.816 57.762 44.790 536 HD3 LYS 65 HD3 LYS 65 31.123 57.649 46.395 537 HE2 LYS 65 HE2 LYS 65 33.806 58.992 45.910 538 HE3 LYS 65 HE3 LYS 65 32.290 59.865 45.838 539 HZ1 LYS 65 HZ1 LYS 65 33.114 60.026 48.026 540 HZ2 LYS 65 HZ2 LYS 65 31.786 59.089 48.094 541 HZ3 LYS 65 HZ3 LYS 65 33.287 58.452 48.229 542 H HIS 66 H HIS 66 34.618 54.066 47.659 543 HA HIS 66 HA HIS 66 35.794 51.680 47.027 544 HB2 HIS 66 HB2 HIS 66 33.510 52.151 48.980 545 HB3 HIS 66 HB3 HIS 66 34.637 50.794 49.028 546 HD2 HIS 66 HD2 HIS 66 35.804 51.175 51.228 547 HE1 HIS 66 HE1 HIS 66 37.070 55.205 50.714 548 HE2 HIS 66 HE2 HIS 66 37.107 53.203 52.282 549 H GLU 67 H GLU 67 35.012 49.558 47.052 550 HA GLU 67 HA GLU 67 34.243 47.842 45.805 551 HB2 GLU 67 HB2 GLU 67 31.672 49.239 46.563 552 HB3 GLU 67 HB3 GLU 67 31.680 47.650 45.772 553 HG2 GLU 67 HG2 GLU 67 32.727 48.396 48.513 554 HG3 GLU 67 HG3 GLU 67 31.340 47.396 48.155 555 H VAL 68 H VAL 68 35.254 49.814 44.214 556 HA VAL 68 HA VAL 68 33.968 50.120 41.705 557 HB VAL 68 HB VAL 68 36.389 49.760 40.830 558 HG11 VAL 68 HG11 VAL 68 35.841 51.901 42.899 559 HG12 VAL 68 HG12 VAL 68 37.129 51.919 41.663 560 HG13 VAL 68 HG13 VAL 68 35.422 51.949 41.169 561 HG21 VAL 68 HG21 VAL 68 37.354 48.424 42.630 562 HG22 VAL 68 HG22 VAL 68 38.171 49.986 42.581 563 HG23 VAL 68 HG23 VAL 68 36.969 49.662 43.839 564 H SER 69 H SER 69 33.260 48.655 40.241 565 HA SER 69 HA SER 69 33.888 45.825 40.537 566 HB2 SER 69 HB2 SER 69 32.229 47.155 38.352 567 HB3 SER 69 HB3 SER 69 32.151 45.495 38.976 568 HG SER 69 HG SER 69 30.730 46.388 40.121 569 H VAL 70 H VAL 70 34.594 48.396 38.257 570 HA VAL 70 HA VAL 70 36.799 46.829 37.077 571 HB VAL 70 HB VAL 70 36.256 47.364 34.841 572 HG11 VAL 70 HG11 VAL 70 33.699 46.381 36.124 573 HG12 VAL 70 HG12 VAL 70 34.209 46.135 34.452 574 HG13 VAL 70 HG13 VAL 70 35.148 45.392 35.766 575 HG21 VAL 70 HG21 VAL 70 33.646 48.739 35.729 576 HG22 VAL 70 HG22 VAL 70 35.025 49.619 35.032 577 HG23 VAL 70 HG23 VAL 70 34.160 48.423 34.077 578 HA PRO 71 HA PRO 71 38.717 50.920 37.359 579 HB2 PRO 71 HB2 PRO 71 41.048 50.629 36.013 580 HB3 PRO 71 HB3 PRO 71 40.726 49.792 37.554 581 HG2 PRO 71 HG2 PRO 71 40.362 48.646 34.779 582 HG3 PRO 71 HG3 PRO 71 41.303 47.971 36.149 583 HD2 PRO 71 HD2 PRO 71 38.702 47.171 35.739 584 HD3 PRO 71 HD3 PRO 71 39.352 47.453 37.379 585 H TYR 72 H TYR 72 37.180 52.098 36.322 586 HA TYR 72 HA TYR 72 36.227 52.229 33.722 587 HB2 TYR 72 HB2 TYR 72 35.518 53.318 35.933 588 HB3 TYR 72 HB3 TYR 72 36.617 54.634 35.524 589 HD1 TYR 72 HD1 TYR 72 36.285 55.715 33.143 590 HD2 TYR 72 HD2 TYR 72 33.259 53.522 35.304 591 HE1 TYR 72 HE1 TYR 72 34.549 56.673 31.678 592 HE2 TYR 72 HE2 TYR 72 31.498 54.561 33.864 593 HH TYR 72 HH TYR 72 32.368 56.607 31.146 594 H ALA 73 H ALA 73 38.953 54.265 34.952 595 HA ALA 73 HA ALA 73 39.458 55.625 32.569 596 HB1 ALA 73 HB1 ALA 73 41.442 54.693 34.694 597 HB2 ALA 73 HB2 ALA 73 41.679 56.000 33.548 598 HB3 ALA 73 HB3 ALA 73 40.402 56.136 34.808 599 H MET 74 H MET 74 40.217 52.237 33.145 600 HA MET 74 HA MET 74 42.401 52.038 31.247 601 HB2 MET 74 HB2 MET 74 41.828 50.464 33.182 602 HB3 MET 74 HB3 MET 74 40.535 49.838 32.147 603 HG2 MET 74 HG2 MET 74 42.237 49.320 30.397 604 HG3 MET 74 HG3 MET 74 43.489 50.067 31.387 605 HE1 MET 74 HE1 MET 74 44.928 47.973 30.763 606 HE2 MET 74 HE2 MET 74 44.647 46.361 31.443 607 HE3 MET 74 HE3 MET 74 43.652 46.933 30.090 608 H ASN 75 H ASN 75 38.858 52.058 30.957 609 HA ASN 75 HA ASN 75 39.031 51.453 28.063 610 HB2 ASN 75 HB2 ASN 75 37.075 50.732 29.335 611 HB3 ASN 75 HB3 ASN 75 36.746 52.394 29.841 612 HD21 ASN 75 HD22 ASN 75 35.574 53.744 28.378 613 HD22 ASN 75 HD21 ASN 75 35.132 53.209 26.779 614 H LEU 76 H LEU 76 38.980 54.258 30.196 615 HA LEU 76 HA LEU 76 37.963 55.974 28.119 616 HB2 LEU 76 HB2 LEU 76 37.362 56.177 30.512 617 HB3 LEU 76 HB3 LEU 76 39.038 56.554 30.909 618 HG LEU 76 HG LEU 76 38.881 58.646 29.520 619 HD11 LEU 76 HD11 LEU 76 36.628 59.515 29.023 620 HD12 LEU 76 HD12 LEU 76 36.945 58.053 28.088 621 HD13 LEU 76 HD13 LEU 76 35.906 57.962 29.535 622 HD21 LEU 76 HD21 LEU 76 37.089 58.244 31.922 623 HD22 LEU 76 HD22 LEU 76 38.687 59.058 31.821 624 HD23 LEU 76 HD23 LEU 76 37.269 59.826 31.126 625 H LEU 77 H LEU 77 41.034 55.890 29.876 626 HA LEU 77 HA LEU 77 42.219 57.870 28.038 627 HB2 LEU 77 HB2 LEU 77 43.213 56.898 30.736 628 HB3 LEU 77 HB3 LEU 77 43.960 58.151 29.786 629 HG LEU 77 HG LEU 77 42.968 59.413 31.377 630 HD11 LEU 77 HD11 LEU 77 40.802 60.403 30.728 631 HD12 LEU 77 HD12 LEU 77 42.065 60.523 29.524 632 HD13 LEU 77 HD13 LEU 77 40.787 59.313 29.299 633 HD21 LEU 77 HD21 LEU 77 40.832 58.969 32.492 634 HD22 LEU 77 HD22 LEU 77 40.711 57.439 31.577 635 HD23 LEU 77 HD23 LEU 77 42.099 57.777 32.675 636 H ASN 78 H ASN 78 43.899 55.200 29.734 637 HA ASN 78 HA ASN 78 45.779 53.985 28.886 638 HB2 ASN 78 HB2 ASN 78 43.672 52.782 29.473 639 HB3 ASN 78 HB3 ASN 78 43.387 52.626 27.714 640 HD21 ASN 78 HD22 ASN 78 45.651 51.738 26.635 641 HD22 ASN 78 HD21 ASN 78 46.236 50.324 27.455 642 H GLY 79 H GLY 79 46.614 55.706 27.477 643 HA2 GLY 79 HA2 GLY 79 47.919 55.169 25.300 644 HA3 GLY 79 HA3 GLY 79 46.323 55.092 24.562 645 H ILE 80 H ILE 80 46.850 57.518 27.073 646 HA ILE 80 HA ILE 80 46.795 59.665 25.000 647 HB ILE 80 HB ILE 80 45.055 60.907 26.113 648 HG12 ILE 80 HG12 ILE 80 43.864 59.167 27.932 649 HG13 ILE 80 HG13 ILE 80 45.598 59.176 28.352 650 HG21 ILE 80 HG21 ILE 80 44.297 58.026 25.624 651 HG22 ILE 80 HG22 ILE 80 43.140 59.356 25.760 652 HG23 ILE 80 HG23 ILE 80 44.342 59.383 24.445 653 HD11 ILE 80 HD11 ILE 80 43.746 61.592 28.107 654 HD12 ILE 80 HD12 ILE 80 44.478 60.957 29.592 655 HD13 ILE 80 HD13 ILE 80 45.496 61.714 28.347 656 H LYS 81 H LYS 81 47.427 61.735 25.673 657 HA LYS 81 HA LYS 81 48.608 62.371 28.176 658 HB2 LYS 81 HB2 LYS 81 51.070 62.486 27.187 659 HB3 LYS 81 HB3 LYS 81 50.385 61.080 27.926 660 HG2 LYS 81 HG2 LYS 81 51.588 60.449 25.929 661 HG3 LYS 81 HG3 LYS 81 49.875 60.173 25.623 662 HD2 LYS 81 HD2 LYS 81 49.858 62.430 24.388 663 HD3 LYS 81 HD3 LYS 81 51.598 62.516 24.741 664 HE2 LYS 81 HE2 LYS 81 51.715 60.122 23.723 665 HE3 LYS 81 HE3 LYS 81 50.066 60.417 23.139 666 HZ1 LYS 81 HZ1 LYS 81 52.339 62.192 22.532 667 HZ2 LYS 81 HZ2 LYS 81 51.755 61.018 21.535 668 HZ3 LYS 81 HZ3 LYS 81 50.823 62.273 21.944 669 H LEU 82 H LEU 82 49.921 64.464 27.889 670 HA LEU 82 HA LEU 82 49.410 65.965 25.364 671 HB2 LEU 82 HB2 LEU 82 47.934 66.784 27.169 672 HB3 LEU 82 HB3 LEU 82 49.294 66.997 28.234 673 HG LEU 82 HG LEU 82 48.266 69.056 27.214 674 HD11 LEU 82 HD11 LEU 82 51.215 68.754 26.539 675 HD12 LEU 82 HD12 LEU 82 50.350 70.231 27.019 676 HD13 LEU 82 HD13 LEU 82 50.581 68.937 28.190 677 HD21 LEU 82 HD21 LEU 82 48.614 69.680 24.961 678 HD22 LEU 82 HD22 LEU 82 49.711 68.315 24.653 679 HD23 LEU 82 HD23 LEU 82 47.976 68.041 24.924 680 H TYR 83 H TYR 83 51.638 65.579 28.185 681 HA TYR 83 HA TYR 83 53.800 67.009 27.119 682 HB2 TYR 83 HB2 TYR 83 53.433 64.697 29.049 683 HB3 TYR 83 HB3 TYR 83 55.068 65.144 28.574 684 HD1 TYR 83 HD1 TYR 83 55.437 67.866 28.810 685 HD2 TYR 83 HD2 TYR 83 53.007 65.259 31.227 686 HE1 TYR 83 HE1 TYR 83 55.816 69.336 30.795 687 HE2 TYR 83 HE2 TYR 83 53.279 66.756 33.153 688 HH TYR 83 HH TYR 83 55.351 69.544 33.170 689 H GLY 84 H GLY 84 53.107 63.487 26.865 690 HA2 GLY 84 HA2 GLY 84 54.458 62.896 24.450 691 HA3 GLY 84 HA3 GLY 84 55.700 62.847 25.705 692 H ARG 85 H ARG 85 54.816 61.377 27.740 693 HA ARG 85 HA ARG 85 54.479 58.770 26.394 694 HB2 ARG 85 HB2 ARG 85 55.124 59.296 29.334 695 HB3 ARG 85 HB3 ARG 85 54.938 57.749 28.594 696 HG2 ARG 85 HG2 ARG 85 57.211 58.004 28.734 697 HG3 ARG 85 HG3 ARG 85 56.902 58.384 27.027 698 HD2 ARG 85 HD2 ARG 85 56.944 60.810 27.600 699 HD3 ARG 85 HD3 ARG 85 57.280 60.366 29.305 700 HE ARG 85 HE ARG 85 59.346 59.185 28.039 701 HH11 ARG 85 HH11 ARG 85 58.190 62.582 27.748 702 HH12 ARG 85 HH12 ARG 85 59.785 63.013 27.158 703 HH21 ARG 85 HH21 ARG 85 61.211 60.021 27.464 704 HH22 ARG 85 HH22 ARG 85 61.344 61.645 26.895 705 HA PRO 86 HA PRO 86 50.204 58.871 27.411 706 HB2 PRO 86 HB2 PRO 86 49.452 56.448 26.338 707 HB3 PRO 86 HB3 PRO 86 49.882 57.884 25.346 708 HG2 PRO 86 HG2 PRO 86 51.703 55.545 26.115 709 HG3 PRO 86 HG3 PRO 86 51.408 56.284 24.488 710 HD2 PRO 86 HD2 PRO 86 53.507 56.837 26.162 711 HD3 PRO 86 HD3 PRO 86 52.824 58.063 25.069 712 H ILE 87 H ILE 87 48.919 58.416 29.035 713 HA ILE 87 HA ILE 87 49.898 56.738 31.147 714 HB ILE 87 HB ILE 87 47.395 58.365 30.673 715 HG12 ILE 87 HG12 ILE 87 49.234 59.602 31.509 716 HG13 ILE 87 HG13 ILE 87 48.113 59.408 32.850 717 HG21 ILE 87 HG21 ILE 87 47.684 56.205 32.783 718 HG22 ILE 87 HG22 ILE 87 46.618 57.605 33.030 719 HG23 ILE 87 HG23 ILE 87 46.338 56.506 31.674 720 HD11 ILE 87 HD11 ILE 87 50.157 59.000 33.862 721 HD12 ILE 87 HD12 ILE 87 49.555 57.355 33.532 722 HD13 ILE 87 HD13 ILE 87 50.791 58.072 32.486 723 H LYS 88 H LYS 88 49.872 54.785 31.421 724 HA LYS 88 HA LYS 88 47.844 53.098 30.113 725 HB2 LYS 88 HB2 LYS 88 50.252 52.857 29.486 726 HB3 LYS 88 HB3 LYS 88 50.649 52.393 31.143 727 HG2 LYS 88 HG2 LYS 88 50.462 50.520 29.506 728 HG3 LYS 88 HG3 LYS 88 49.586 50.368 31.059 729 HD2 LYS 88 HD2 LYS 88 47.530 51.029 29.988 730 HD3 LYS 88 HD3 LYS 88 48.361 51.193 28.435 731 HE2 LYS 88 HE2 LYS 88 48.034 48.606 30.100 732 HE3 LYS 88 HE3 LYS 88 47.049 49.027 28.694 733 HZ1 LYS 88 HZ1 LYS 88 49.183 49.012 27.431 734 HZ2 LYS 88 HZ2 LYS 88 49.913 48.380 28.723 735 HZ3 LYS 88 HZ3 LYS 88 48.775 47.522 27.975 736 H ILE 89 H ILE 89 46.265 52.459 31.423 737 HA ILE 89 HA ILE 89 46.679 52.394 34.332 738 HB ILE 89 HB ILE 89 44.249 51.742 32.642 739 HG12 ILE 89 HG12 ILE 89 43.508 53.943 33.975 740 HG13 ILE 89 HG13 ILE 89 45.234 54.242 34.067 741 HG21 ILE 89 HG21 ILE 89 44.546 52.174 35.650 742 HG22 ILE 89 HG22 ILE 89 43.028 51.804 34.799 743 HG23 ILE 89 HG23 ILE 89 44.291 50.582 34.911 744 HD11 ILE 89 HD11 ILE 89 43.792 53.723 31.446 745 HD12 ILE 89 HD12 ILE 89 43.913 55.338 32.158 746 HD13 ILE 89 HD13 ILE 89 45.391 54.494 31.682 747 H GLN 90 H GLN 90 46.645 50.476 35.591 748 HA GLN 90 HA GLN 90 46.840 47.844 34.279 749 HB2 GLN 90 HB2 GLN 90 48.954 48.838 36.234 750 HB3 GLN 90 HB3 GLN 90 48.856 47.220 35.510 751 HG2 GLN 90 HG2 GLN 90 49.211 48.170 33.272 752 HG3 GLN 90 HG3 GLN 90 49.311 49.794 33.991 753 HE21 GLN 90 HE22 GLN 90 51.353 49.412 32.492 754 HE22 GLN 90 HE21 GLN 90 52.777 48.896 33.405 755 H PHE 91 H PHE 91 46.342 46.134 35.600 756 HA PHE 91 HA PHE 91 45.383 46.446 38.346 757 HB2 PHE 91 HB2 PHE 91 43.629 47.690 37.543 758 HB3 PHE 91 HB3 PHE 91 43.530 46.849 36.025 759 HD1 PHE 91 HD2 PHE 91 42.757 46.617 39.659 760 HD2 PHE 91 HD1 PHE 91 41.993 45.034 35.741 761 HE1 PHE 91 HE2 PHE 91 40.754 45.420 40.538 762 HE2 PHE 91 HE1 PHE 91 39.992 43.817 36.630 763 HZ PHE 91 HZ PHE 91 39.299 44.137 38.983 764 H ARG 92 H ARG 92 44.997 44.608 39.355 765 HA ARG 92 HA ARG 92 45.636 42.053 37.975 766 HB2 ARG 92 HB2 ARG 92 45.266 42.585 40.962 767 HB3 ARG 92 HB3 ARG 92 45.614 41.046 40.262 768 HG2 ARG 92 HG2 ARG 92 47.444 43.446 40.431 769 HG3 ARG 92 HG3 ARG 92 47.601 41.907 41.254 770 HD2 ARG 92 HD2 ARG 92 47.913 42.209 38.239 771 HD3 ARG 92 HD3 ARG 92 49.231 42.270 39.412 772 HE ARG 92 HE ARG 92 47.883 39.823 39.882 773 HH11 ARG 92 HH11 ARG 92 49.918 41.323 37.366 774 HH12 ARG 92 HH12 ARG 92 50.607 39.757 37.040 775 HH21 ARG 92 HH21 ARG 92 48.804 37.918 39.174 776 HH22 ARG 92 HH22 ARG 92 50.133 37.998 38.060 777 H SER 93 H SER 93 44.102 40.488 37.590 778 HA SER 93 HA SER 93 41.312 41.043 37.974 779 HB2 SER 93 HB2 SER 93 41.123 38.638 37.096 780 HB3 SER 93 HB3 SER 93 41.983 39.807 36.087 781 HG SER 93 HG SER 93 43.102 37.894 36.359 782 H GLY 94 H GLY 94 39.747 39.596 39.025 783 HA2 GLY 94 HA2 GLY 94 40.472 37.540 40.778 784 HA3 GLY 94 HA3 GLY 94 40.199 38.997 41.756 785 H SER 95 H SER 95 38.517 37.594 42.731 786 HA SER 95 HA SER 95 35.897 37.785 41.482 787 HB2 SER 95 HB2 SER 95 37.055 35.569 40.609 788 HB3 SER 95 HB3 SER 95 36.789 34.958 42.229 789 HG SER 95 HG SER 95 35.120 34.663 40.605 790 H SER 96 H SER 96 34.167 37.097 42.925 791 HA SER 96 HA SER 96 34.901 37.016 45.821 792 HB2 SER 96 HB2 SER 96 32.429 38.016 44.402 793 HB3 SER 96 HB3 SER 96 32.488 37.690 46.156 794 HG SER 96 HG SER 96 33.788 39.573 44.633 795 H HIS 97 H HIS 97 32.815 35.856 46.946 796 HA HIS 97 HA HIS 97 33.180 33.088 45.909 797 HB2 HIS 97 HB2 HIS 97 32.970 34.138 48.688 798 HB3 HIS 97 HB3 HIS 97 33.128 32.414 48.247 799 HD2 HIS 97 HD2 HIS 97 35.098 34.937 49.616 800 HE1 HIS 97 HE1 HIS 97 37.949 32.995 47.159 801 HE2 HIS 97 HE2 HIS 97 37.601 34.536 49.113 802 H ALA 98 H ALA 98 31.598 31.411 46.599 803 HA ALA 98 HA ALA 98 28.753 32.279 46.309 804 HB1 ALA 98 HB1 ALA 98 30.307 30.357 44.540 805 HB2 ALA 98 HB2 ALA 98 28.637 30.923 44.261 806 HB3 ALA 98 HB3 ALA 98 30.012 32.047 44.113 807 HA PRO 99 HA PRO 99 28.044 29.139 49.187 808 HB2 PRO 99 HB2 PRO 99 25.530 28.147 48.662 809 HB3 PRO 99 HB3 PRO 99 25.819 29.702 49.450 810 HG2 PRO 99 HG2 PRO 99 25.326 29.104 46.498 811 HG3 PRO 99 HG3 PRO 99 24.569 30.394 47.464 812 HD2 PRO 99 HD2 PRO 99 26.653 30.886 45.784 813 HD3 PRO 99 HD3 PRO 99 26.593 31.713 47.346 814 H GLN 100 H GLN 100 28.014 26.913 49.653 815 HA GLN 100 HA GLN 100 28.590 25.143 47.366 816 HB2 GLN 100 HB2 GLN 100 28.441 24.269 50.274 817 HB3 GLN 100 HB3 GLN 100 29.093 23.421 48.878 818 HG2 GLN 100 HG2 GLN 100 30.371 25.850 50.172 819 HG3 GLN 100 HG3 GLN 100 30.909 24.175 50.237 820 HE21 GLN 100 HE22 GLN 100 30.864 27.069 48.283 821 HE22 GLN 100 HE21 GLN 100 31.703 26.385 46.909 822 H ASP 101 H ASP 101 26.336 25.305 50.080 823 HA ASP 101 HA ASP 101 24.034 24.252 48.600 824 HB2 ASP 101 HB2 ASP 101 23.510 22.676 50.325 825 HB3 ASP 101 HB3 ASP 101 25.069 22.332 49.559 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 32.257 47.413 83.478 2 H2 GLY 1 H2 GLY 1 31.976 46.808 81.980 3 H3 GLY 1 H3 GLY 1 31.728 48.400 82.275 4 HA2 GLY 1 HA2 GLY 1 33.961 48.911 82.405 5 HA3 GLY 1 HA3 GLY 1 34.327 47.186 82.698 6 H SER 2 H SER 2 34.989 45.998 81.026 7 HA SER 2 HA SER 2 34.005 46.438 78.326 8 HB2 SER 2 HB2 SER 2 36.253 46.690 77.294 9 HB3 SER 2 HB3 SER 2 35.828 48.070 78.292 10 HG SER 2 HG SER 2 37.940 46.964 78.571 11 H GLU 3 H GLU 3 34.761 44.659 76.868 12 HA GLU 3 HA GLU 3 35.079 42.131 78.284 13 HB2 GLU 3 HB2 GLU 3 34.869 42.897 75.360 14 HB3 GLU 3 HB3 GLU 3 35.269 41.248 75.827 15 HG2 GLU 3 HG2 GLU 3 32.734 42.728 76.558 16 HG3 GLU 3 HG3 GLU 3 32.925 41.375 75.421 17 H PHE 4 H PHE 4 36.430 40.473 77.910 18 HA PHE 4 HA PHE 4 39.252 41.353 77.978 19 HB2 PHE 4 HB2 PHE 4 38.333 40.168 79.934 20 HB3 PHE 4 HB3 PHE 4 37.964 38.773 78.931 21 HD1 PHE 4 HD2 PHE 4 40.822 40.728 80.343 22 HD2 PHE 4 HD1 PHE 4 39.615 37.211 78.175 23 HE1 PHE 4 HE2 PHE 4 43.127 39.789 80.548 24 HE2 PHE 4 HE1 PHE 4 41.876 36.237 78.502 25 HZ PHE 4 HZ PHE 4 43.600 37.486 79.750 26 H GLU 5 H GLU 5 37.179 38.694 76.459 27 HA GLU 5 HA GLU 5 39.154 38.666 74.277 28 HB2 GLU 5 HB2 GLU 5 39.279 36.629 75.502 29 HB3 GLU 5 HB3 GLU 5 37.514 36.466 75.579 30 HG2 GLU 5 HG2 GLU 5 37.296 36.135 73.330 31 HG3 GLU 5 HG3 GLU 5 38.930 36.663 72.929 32 H LEU 6 H LEU 6 38.405 39.569 72.533 33 HA LEU 6 HA LEU 6 35.552 39.428 71.853 34 HB2 LEU 6 HB2 LEU 6 36.904 41.840 72.831 35 HB3 LEU 6 HB3 LEU 6 36.466 42.073 71.153 36 HG LEU 6 HG LEU 6 34.575 41.359 73.405 37 HD11 LEU 6 HD11 LEU 6 35.340 43.714 73.318 38 HD12 LEU 6 HD12 LEU 6 34.760 43.858 71.655 39 HD13 LEU 6 HD13 LEU 6 33.602 43.541 72.959 40 HD21 LEU 6 HD21 LEU 6 34.098 41.541 70.394 41 HD22 LEU 6 HD22 LEU 6 33.642 40.250 71.540 42 HD23 LEU 6 HD23 LEU 6 32.810 41.806 71.580 43 H ARG 7 H ARG 7 34.970 39.852 69.772 44 HA ARG 7 HA ARG 7 36.964 39.038 67.783 45 HB2 ARG 7 HB2 ARG 7 33.991 39.497 67.511 46 HB3 ARG 7 HB3 ARG 7 35.052 38.734 66.325 47 HG2 ARG 7 HG2 ARG 7 34.046 37.592 68.957 48 HG3 ARG 7 HG3 ARG 7 33.856 36.945 67.327 49 HD2 ARG 7 HD2 ARG 7 36.383 36.573 67.317 50 HD3 ARG 7 HD3 ARG 7 36.364 37.166 68.995 51 HE ARG 7 HE ARG 7 34.647 34.813 68.449 52 HH11 ARG 7 HH11 ARG 7 37.817 35.980 69.479 53 HH12 ARG 7 HH12 ARG 7 38.105 34.522 70.427 54 HH21 ARG 7 HH21 ARG 7 35.231 32.990 69.727 55 HH22 ARG 7 HH22 ARG 7 36.786 32.967 70.539 56 H ARG 8 H ARG 8 37.834 40.202 66.377 57 HA ARG 8 HA ARG 8 36.856 42.881 65.528 58 HB2 ARG 8 HB2 ARG 8 39.672 41.713 65.557 59 HB3 ARG 8 HB3 ARG 8 39.247 43.086 64.554 60 HG2 ARG 8 HG2 ARG 8 38.550 44.378 66.537 61 HG3 ARG 8 HG3 ARG 8 38.848 42.980 67.572 62 HD2 ARG 8 HD2 ARG 8 40.641 44.670 67.747 63 HD3 ARG 8 HD3 ARG 8 41.243 43.111 67.156 64 HE ARG 8 HE ARG 8 40.529 45.221 65.162 65 HH11 ARG 8 HH11 ARG 8 43.287 44.112 67.097 66 HH12 ARG 8 HH12 ARG 8 44.281 44.075 65.649 67 HH21 ARG 8 HH21 ARG 8 41.923 45.554 63.659 68 HH22 ARG 8 HH22 ARG 8 43.622 45.157 63.845 69 H GLN 9 H GLN 9 36.427 39.783 64.401 70 HA GLN 9 HA GLN 9 36.488 40.497 61.551 71 HB2 GLN 9 HB2 GLN 9 35.796 38.113 63.197 72 HB3 GLN 9 HB3 GLN 9 34.800 38.335 61.759 73 HG2 GLN 9 HG2 GLN 9 36.854 38.560 60.402 74 HG3 GLN 9 HG3 GLN 9 37.799 37.933 61.756 75 HE21 GLN 9 HE22 GLN 9 36.406 36.828 58.963 76 HE22 GLN 9 HE21 GLN 9 35.887 35.243 59.523 77 H GLN 10 H GLN 10 33.760 39.396 63.417 78 HA GLN 10 HA GLN 10 31.624 39.754 63.597 79 HB2 GLN 10 HB2 GLN 10 32.867 42.447 63.903 80 HB3 GLN 10 HB3 GLN 10 31.147 42.143 64.295 81 HG2 GLN 10 HG2 GLN 10 32.201 40.216 65.835 82 HG3 GLN 10 HG3 GLN 10 33.689 41.136 65.574 83 HE21 GLN 10 HE22 GLN 10 32.056 40.850 68.239 84 HE22 GLN 10 HE21 GLN 10 31.561 42.491 68.595 85 H ALA 11 H ALA 11 32.732 41.686 60.907 86 HA ALA 11 HA ALA 11 30.150 41.374 59.524 87 HB1 ALA 11 HB1 ALA 11 29.737 43.555 60.209 88 HB2 ALA 11 HB2 ALA 11 31.478 43.989 60.241 89 HB3 ALA 11 HB3 ALA 11 30.605 43.883 58.717 90 H LEU 12 H LEU 12 30.676 42.592 57.201 91 HA LEU 12 HA LEU 12 32.649 41.008 55.834 92 HB2 LEU 12 HB2 LEU 12 31.109 43.464 54.901 93 HB3 LEU 12 HB3 LEU 12 31.898 42.271 53.881 94 HG LEU 12 HG LEU 12 29.347 41.961 55.495 95 HD11 LEU 12 HD11 LEU 12 29.217 42.978 53.346 96 HD12 LEU 12 HD12 LEU 12 30.097 41.624 52.582 97 HD13 LEU 12 HD13 LEU 12 28.490 41.340 53.298 98 HD21 LEU 12 HD21 LEU 12 30.714 39.881 55.824 99 HD22 LEU 12 HD22 LEU 12 29.299 39.604 54.807 100 HD23 LEU 12 HD23 LEU 12 30.919 39.778 54.055 101 H ALA 13 H ALA 13 33.938 42.107 54.081 102 HA ALA 13 HA ALA 13 35.419 44.504 54.869 103 HB1 ALA 13 HB1 ALA 13 37.616 43.239 54.587 104 HB2 ALA 13 HB2 ALA 13 36.714 42.771 56.037 105 HB3 ALA 13 HB3 ALA 13 36.685 41.730 54.607 106 H GLU 14 H GLU 14 36.771 45.345 53.004 107 HA GLU 14 HA GLU 14 36.700 43.809 50.482 108 HB2 GLU 14 HB2 GLU 14 35.730 46.656 50.772 109 HB3 GLU 14 HB3 GLU 14 36.472 46.115 49.286 110 HG2 GLU 14 HG2 GLU 14 33.784 45.352 50.414 111 HG3 GLU 14 HG3 GLU 14 34.189 46.149 48.920 112 H ALA 15 H ALA 15 38.565 44.217 49.141 113 HA ALA 15 HA ALA 15 40.831 45.519 50.606 114 HB1 ALA 15 HB1 ALA 15 41.054 43.078 48.854 115 HB2 ALA 15 HB2 ALA 15 42.235 43.773 49.977 116 HB3 ALA 15 HB3 ALA 15 40.791 42.961 50.613 117 H ASP 16 H ASP 16 42.677 46.205 49.376 118 HA ASP 16 HA ASP 16 43.791 47.282 47.723 119 HB2 ASP 16 HB2 ASP 16 42.494 45.044 46.177 120 HB3 ASP 16 HB3 ASP 16 43.790 46.052 45.509 121 H ARG 17 H ARG 17 42.098 49.004 48.286 122 HA ARG 17 HA ARG 17 40.203 49.421 46.110 123 HB2 ARG 17 HB2 ARG 17 39.244 51.194 47.312 124 HB3 ARG 17 HB3 ARG 17 39.381 49.720 48.303 125 HG2 ARG 17 HG2 ARG 17 41.437 50.760 49.393 126 HG3 ARG 17 HG3 ARG 17 41.089 52.251 48.497 127 HD2 ARG 17 HD2 ARG 17 38.720 52.096 49.618 128 HD3 ARG 17 HD3 ARG 17 39.438 50.838 50.609 129 HE ARG 17 HE ARG 17 39.964 53.747 50.751 130 HH11 ARG 17 HH11 ARG 17 41.109 50.541 51.657 131 HH12 ARG 17 HH12 ARG 17 41.793 51.144 53.129 132 HH21 ARG 17 HH21 ARG 17 41.062 54.422 52.631 133 HH22 ARG 17 HH22 ARG 17 41.765 53.205 53.634 134 H THR 18 H THR 18 42.984 49.675 45.435 135 HA THR 18 HA THR 18 43.177 52.474 44.496 136 HB THR 18 HB THR 18 45.276 51.242 46.298 137 HG1 THR 18 HG1 THR 18 44.168 52.191 47.571 138 HG21 THR 18 HG21 THR 18 46.273 52.725 44.450 139 HG22 THR 18 HG22 THR 18 45.239 54.047 45.086 140 HG23 THR 18 HG23 THR 18 46.491 53.325 46.108 141 H LEU 19 H LEU 19 44.453 52.762 42.749 142 HA LEU 19 HA LEU 19 44.493 50.304 41.114 143 HB2 LEU 19 HB2 LEU 19 42.711 52.248 40.874 144 HB3 LEU 19 HB3 LEU 19 44.025 53.202 40.232 145 HG LEU 19 HG LEU 19 44.343 51.424 38.437 146 HD11 LEU 19 HD11 LEU 19 41.918 50.352 39.926 147 HD12 LEU 19 HD12 LEU 19 42.132 50.019 38.185 148 HD13 LEU 19 HD13 LEU 19 43.341 49.467 39.339 149 HD21 LEU 19 HD21 LEU 19 43.027 53.556 38.126 150 HD22 LEU 19 HD22 LEU 19 42.412 52.220 37.142 151 HD23 LEU 19 HD23 LEU 19 41.565 52.693 38.634 152 H PHE 20 H PHE 20 46.367 49.775 40.009 153 HA PHE 20 HA PHE 20 48.618 51.552 40.315 154 HB2 PHE 20 HB2 PHE 20 48.783 49.000 40.226 155 HB3 PHE 20 HB3 PHE 20 48.529 49.144 38.496 156 HD1 PHE 20 HD1 PHE 20 50.220 50.224 37.023 157 HD2 PHE 20 HD2 PHE 20 50.978 49.733 41.237 158 HE1 PHE 20 HE1 PHE 20 52.672 50.294 36.613 159 HE2 PHE 20 HE2 PHE 20 53.367 50.266 40.849 160 HZ PHE 20 HZ PHE 20 54.224 50.539 38.534 161 H VAL 21 H VAL 21 49.613 52.933 38.836 162 HA VAL 21 HA VAL 21 48.754 52.822 35.985 163 HB VAL 21 HB VAL 21 49.018 55.366 37.585 164 HG11 VAL 21 HG11 VAL 21 47.753 55.030 34.823 165 HG12 VAL 21 HG12 VAL 21 48.264 56.516 35.642 166 HG13 VAL 21 HG13 VAL 21 49.466 55.367 34.995 167 HG21 VAL 21 HG21 VAL 21 46.822 53.914 38.038 168 HG22 VAL 21 HG22 VAL 21 46.669 55.615 37.654 169 HG23 VAL 21 HG23 VAL 21 46.409 54.357 36.395 170 H GLY 22 H GLY 22 50.362 52.721 34.747 171 HA2 GLY 22 HA2 GLY 22 53.101 53.637 35.521 172 HA3 GLY 22 HA3 GLY 22 52.830 52.190 34.617 173 H ASN 23 H ASN 23 54.326 53.409 33.304 174 HA ASN 23 HA ASN 23 54.960 54.464 31.385 175 HB2 ASN 23 HB2 ASN 23 52.813 53.075 30.625 176 HB3 ASN 23 HB3 ASN 23 52.103 54.652 30.475 177 HD21 ASN 23 HD21 ASN 23 51.914 53.985 28.280 178 HD22 ASN 23 HD22 ASN 23 53.328 54.121 27.189 179 H LEU 24 H LEU 24 54.463 55.972 33.660 180 HA LEU 24 HA LEU 24 53.094 58.446 33.116 181 HB2 LEU 24 HB2 LEU 24 55.242 57.646 35.097 182 HB3 LEU 24 HB3 LEU 24 54.568 59.253 35.015 183 HG LEU 24 HG LEU 24 53.685 57.509 36.750 184 HD11 LEU 24 HD11 LEU 24 51.928 59.337 35.113 185 HD12 LEU 24 HD12 LEU 24 51.403 58.582 36.642 186 HD13 LEU 24 HD13 LEU 24 52.767 59.686 36.664 187 HD21 LEU 24 HD21 LEU 24 52.950 55.726 35.193 188 HD22 LEU 24 HD22 LEU 24 51.572 56.406 36.106 189 HD23 LEU 24 HD23 LEU 24 51.823 56.818 34.407 190 H GLU 25 H GLU 25 54.103 60.532 32.975 191 HA GLU 25 HA GLU 25 56.441 60.564 31.188 192 HB2 GLU 25 HB2 GLU 25 54.091 62.092 31.405 193 HB3 GLU 25 HB3 GLU 25 55.322 63.160 32.043 194 HG2 GLU 25 HG2 GLU 25 55.901 61.644 29.476 195 HG3 GLU 25 HG3 GLU 25 54.829 63.000 29.372 196 H THR 26 H THR 26 57.984 62.363 31.489 197 HA THR 26 HA THR 26 59.452 61.836 33.898 198 HB THR 26 HB THR 26 61.273 63.036 32.693 199 HG1 THR 26 HG1 THR 26 59.322 63.580 30.757 200 HG21 THR 26 HG21 THR 26 61.320 61.687 30.561 201 HG22 THR 26 HG22 THR 26 60.839 60.671 31.919 202 HG23 THR 26 HG23 THR 26 59.611 61.266 30.808 203 H LYS 27 H LYS 27 57.398 64.353 32.860 204 HA LYS 27 HA LYS 27 58.223 66.310 34.973 205 HB2 LYS 27 HB2 LYS 27 56.545 66.715 32.499 206 HB3 LYS 27 HB3 LYS 27 57.113 67.966 33.593 207 HG2 LYS 27 HG2 LYS 27 59.043 66.198 31.993 208 HG3 LYS 27 HG3 LYS 27 58.357 67.665 31.363 209 HD2 LYS 27 HD2 LYS 27 60.468 68.268 32.169 210 HD3 LYS 27 HD3 LYS 27 59.306 68.913 33.365 211 HE2 LYS 27 HE2 LYS 27 59.859 67.200 34.913 212 HE3 LYS 27 HE3 LYS 27 60.685 66.256 33.637 213 HZ1 LYS 27 HZ1 LYS 27 62.325 67.353 34.959 214 HZ2 LYS 27 HZ2 LYS 27 62.281 68.221 33.589 215 HZ3 LYS 27 HZ3 LYS 27 61.547 68.766 34.935 216 H VAL 28 H VAL 28 56.410 63.758 35.162 217 HA VAL 28 HA VAL 28 53.767 64.704 35.588 218 HB VAL 28 HB VAL 28 54.470 62.421 34.843 219 HG11 VAL 28 HG11 VAL 28 56.029 61.893 36.675 220 HG12 VAL 28 HG12 VAL 28 54.633 61.752 37.791 221 HG13 VAL 28 HG13 VAL 28 54.809 60.637 36.433 222 HG21 VAL 28 HG21 VAL 28 52.116 63.228 35.637 223 HG22 VAL 28 HG22 VAL 28 52.425 61.496 35.462 224 HG23 VAL 28 HG23 VAL 28 52.422 62.249 37.075 225 H THR 29 H THR 29 52.401 64.524 37.338 226 HA THR 29 HA THR 29 53.357 64.479 40.053 227 HB THR 29 HB THR 29 52.189 66.667 40.656 228 HG1 THR 29 HG1 THR 29 52.515 67.380 38.008 229 HG21 THR 29 HG21 THR 29 54.766 67.042 39.076 230 HG22 THR 29 HG22 THR 29 54.198 67.935 40.523 231 HG23 THR 29 HG23 THR 29 54.643 66.248 40.655 232 H GLU 30 H GLU 30 51.563 64.497 41.611 233 HA GLU 30 HA GLU 30 49.304 63.130 40.798 234 HB2 GLU 30 HB2 GLU 30 49.445 64.995 43.231 235 HB3 GLU 30 HB3 GLU 30 48.329 63.642 43.027 236 HG2 GLU 30 HG2 GLU 30 50.312 62.105 42.966 237 HG3 GLU 30 HG3 GLU 30 51.327 63.490 43.385 238 H GLU 31 H GLU 31 49.830 66.525 40.587 239 HA GLU 31 HA GLU 31 47.029 67.308 40.308 240 HB2 GLU 31 HB2 GLU 31 49.678 68.683 39.709 241 HB3 GLU 31 HB3 GLU 31 48.101 69.446 39.436 242 HG2 GLU 31 HG2 GLU 31 47.520 68.945 41.849 243 HG3 GLU 31 HG3 GLU 31 49.146 68.337 42.101 244 H LEU 32 H LEU 32 49.569 66.372 38.000 245 HA LEU 32 HA LEU 32 47.959 66.824 35.642 246 HB2 LEU 32 HB2 LEU 32 50.405 66.610 35.687 247 HB3 LEU 32 HB3 LEU 32 50.331 64.955 36.254 248 HG LEU 32 HG LEU 32 50.963 65.329 33.898 249 HD11 LEU 32 HD11 LEU 32 50.317 63.055 34.300 250 HD12 LEU 32 HD12 LEU 32 48.570 63.464 34.184 251 HD13 LEU 32 HD13 LEU 32 49.625 63.578 32.785 252 HD21 LEU 32 HD21 LEU 32 49.286 67.105 33.408 253 HD22 LEU 32 HD22 LEU 32 49.234 65.788 32.216 254 HD23 LEU 32 HD23 LEU 32 47.988 65.885 33.469 255 H LEU 33 H LEU 33 48.623 64.044 37.721 256 HA LEU 33 HA LEU 33 46.945 62.137 36.416 257 HB2 LEU 33 HB2 LEU 33 47.632 62.373 39.351 258 HB3 LEU 33 HB3 LEU 33 47.067 60.907 38.557 259 HG LEU 33 HG LEU 33 49.746 62.255 37.937 260 HD11 LEU 33 HD11 LEU 33 49.370 59.537 39.226 261 HD12 LEU 33 HD12 LEU 33 50.846 60.481 39.034 262 HD13 LEU 33 HD13 LEU 33 49.604 61.024 40.179 263 HD21 LEU 33 HD21 LEU 33 48.621 60.964 36.007 264 HD22 LEU 33 HD22 LEU 33 50.236 60.502 36.497 265 HD23 LEU 33 HD23 LEU 33 48.817 59.534 37.037 266 H PHE 34 H PHE 34 46.152 64.418 39.125 267 HA PHE 34 HA PHE 34 43.428 63.548 39.375 268 HB2 PHE 34 HB2 PHE 34 44.815 64.875 41.006 269 HB3 PHE 34 HB3 PHE 34 44.613 66.270 39.932 270 HD1 PHE 34 HD1 PHE 34 42.398 67.286 39.565 271 HD2 PHE 34 HD2 PHE 34 43.011 64.217 42.528 272 HE1 PHE 34 HE1 PHE 34 40.332 67.975 40.689 273 HE2 PHE 34 HE2 PHE 34 40.867 64.883 43.634 274 HZ PHE 34 HZ PHE 34 39.507 66.708 42.693 275 H GLU 35 H GLU 35 44.925 66.194 37.445 276 HA GLU 35 HA GLU 35 42.548 67.153 36.260 277 HB2 GLU 35 HB2 GLU 35 44.514 68.474 36.298 278 HB3 GLU 35 HB3 GLU 35 45.514 67.218 35.568 279 HG2 GLU 35 HG2 GLU 35 44.843 67.613 33.449 280 HG3 GLU 35 HG3 GLU 35 43.415 68.522 33.893 281 H LEU 36 H LEU 36 44.613 64.467 35.272 282 HA LEU 36 HA LEU 36 43.145 63.883 32.854 283 HB2 LEU 36 HB2 LEU 36 45.427 63.519 32.829 284 HB3 LEU 36 HB3 LEU 36 45.450 62.674 34.369 285 HG LEU 36 HG LEU 36 43.998 61.345 32.080 286 HD11 LEU 36 HD11 LEU 36 46.996 61.630 32.442 287 HD12 LEU 36 HD12 LEU 36 46.279 60.155 31.724 288 HD13 LEU 36 HD13 LEU 36 46.093 61.723 30.934 289 HD21 LEU 36 HD21 LEU 36 45.823 60.332 34.326 290 HD22 LEU 36 HD22 LEU 36 44.049 60.342 34.422 291 HD23 LEU 36 HD23 LEU 36 44.864 59.319 33.243 292 H PHE 37 H PHE 37 43.208 62.372 36.183 293 HA PHE 37 HA PHE 37 41.177 60.454 35.273 294 HB2 PHE 37 HB2 PHE 37 42.476 60.662 38.000 295 HB3 PHE 37 HB3 PHE 37 41.302 59.464 37.459 296 HD1 PHE 37 HD2 PHE 37 41.893 58.203 35.218 297 HD2 PHE 37 HD1 PHE 37 44.758 60.127 37.782 298 HE1 PHE 37 HE2 PHE 37 43.652 56.521 34.550 299 HE2 PHE 37 HE1 PHE 37 46.507 58.555 37.036 300 HZ PHE 37 HZ PHE 37 45.931 56.707 35.459 301 H HIS 38 H HIS 38 40.907 63.643 36.584 302 HA HIS 38 HA HIS 38 38.479 63.417 37.978 303 HB2 HIS 38 HB2 HIS 38 39.900 65.560 37.548 304 HB3 HIS 38 HB3 HIS 38 39.059 65.610 35.988 305 HD2 HIS 38 HD2 HIS 38 36.468 66.033 35.995 306 HE1 HIS 38 HE1 HIS 38 36.558 68.225 39.624 307 HE2 HIS 38 HE2 HIS 38 35.218 67.717 37.523 308 H GLN 39 H GLN 39 38.922 63.390 34.403 309 HA GLN 39 HA GLN 39 36.025 63.052 34.034 310 HB2 GLN 39 HB2 GLN 39 36.484 62.944 31.635 311 HB3 GLN 39 HB3 GLN 39 37.215 64.368 32.374 312 HG2 GLN 39 HG2 GLN 39 39.390 63.168 32.490 313 HG3 GLN 39 HG3 GLN 39 38.664 61.726 31.791 314 HE21 GLN 39 HE22 GLN 39 40.841 63.675 30.989 315 HE22 GLN 39 HE21 GLN 39 40.416 64.230 29.360 316 H ALA 40 H ALA 40 38.284 60.866 35.066 317 HA ALA 40 HA ALA 40 36.945 58.553 33.817 318 HB1 ALA 40 HB1 ALA 40 39.260 58.593 35.791 319 HB2 ALA 40 HB2 ALA 40 38.685 57.237 34.798 320 HB3 ALA 40 HB3 ALA 40 39.457 58.647 34.028 321 H GLY 41 H GLY 41 35.908 60.598 35.927 322 HA2 GLY 41 HA2 GLY 41 33.975 60.336 37.176 323 HA3 GLY 41 HA3 GLY 41 34.302 58.615 37.397 324 HA PRO 42 HA PRO 42 35.034 61.135 41.203 325 HB2 PRO 42 HB2 PRO 42 33.785 59.648 43.032 326 HB3 PRO 42 HB3 PRO 42 32.926 60.486 41.709 327 HG2 PRO 42 HG2 PRO 42 33.617 57.552 41.830 328 HG3 PRO 42 HG3 PRO 42 32.081 58.367 41.351 329 HD2 PRO 42 HD2 PRO 42 34.076 57.516 39.613 330 HD3 PRO 42 HD3 PRO 42 32.839 58.740 39.242 331 H VAL 43 H VAL 43 37.468 60.647 40.665 332 HA VAL 43 HA VAL 43 38.772 58.641 42.266 333 HB VAL 43 HB VAL 43 40.796 60.009 42.233 334 HG11 VAL 43 HG11 VAL 43 39.577 59.875 39.465 335 HG12 VAL 43 HG12 VAL 43 41.300 59.887 39.919 336 HG13 VAL 43 HG13 VAL 43 40.290 58.488 40.327 337 HG21 VAL 43 HG21 VAL 43 39.804 62.275 42.273 338 HG22 VAL 43 HG22 VAL 43 40.983 62.032 40.977 339 HG23 VAL 43 HG23 VAL 43 39.232 62.028 40.607 340 H ILE 44 H ILE 44 39.455 58.695 44.314 341 HA ILE 44 HA ILE 44 38.324 60.664 46.240 342 HB ILE 44 HB ILE 44 39.833 58.035 46.444 343 HG12 ILE 44 HG12 ILE 44 37.703 57.640 45.544 344 HG13 ILE 44 HG13 ILE 44 37.692 57.074 47.174 345 HG21 ILE 44 HG21 ILE 44 38.730 59.903 48.588 346 HG22 ILE 44 HG22 ILE 44 39.339 58.265 48.943 347 HG23 ILE 44 HG23 ILE 44 40.430 59.474 48.306 348 HD11 ILE 44 HD11 ILE 44 35.582 58.349 46.376 349 HD12 ILE 44 HD12 ILE 44 36.290 58.926 47.903 350 HD13 ILE 44 HD13 ILE 44 36.527 59.811 46.377 351 H LYS 45 H LYS 45 41.478 59.377 45.302 352 HA LYS 45 HA LYS 45 42.830 61.911 45.566 353 HB2 LYS 45 HB2 LYS 45 44.189 61.361 47.468 354 HB3 LYS 45 HB3 LYS 45 42.499 61.181 47.923 355 HG2 LYS 45 HG2 LYS 45 42.709 58.668 47.594 356 HG3 LYS 45 HG3 LYS 45 44.440 58.898 47.343 357 HD2 LYS 45 HD2 LYS 45 44.326 58.415 49.636 358 HD3 LYS 45 HD3 LYS 45 44.274 60.200 49.664 359 HE2 LYS 45 HE2 LYS 45 41.860 60.132 49.829 360 HE3 LYS 45 HE3 LYS 45 41.865 58.367 49.727 361 HZ1 LYS 45 HZ1 LYS 45 43.231 58.317 51.758 362 HZ2 LYS 45 HZ2 LYS 45 43.089 59.938 51.911 363 HZ3 LYS 45 HZ3 LYS 45 41.781 58.983 52.014 364 H VAL 46 H VAL 46 45.184 61.645 45.124 365 HA VAL 46 HA VAL 46 45.853 59.222 43.477 366 HB VAL 46 HB VAL 46 46.586 62.146 43.159 367 HG11 VAL 46 HG11 VAL 46 47.359 60.106 41.086 368 HG12 VAL 46 HG12 VAL 46 47.897 61.792 41.362 369 HG13 VAL 46 HG13 VAL 46 48.475 60.516 42.403 370 HG21 VAL 46 HG21 VAL 46 44.331 61.760 42.222 371 HG22 VAL 46 HG22 VAL 46 45.488 62.034 40.936 372 HG23 VAL 46 HG23 VAL 46 44.930 60.391 41.263 373 H LYS 47 H LYS 47 47.976 58.357 43.614 374 HA LYS 47 HA LYS 47 49.966 59.577 45.492 375 HB2 LYS 47 HB2 LYS 47 49.349 57.376 46.333 376 HB3 LYS 47 HB3 LYS 47 49.341 56.734 44.685 377 HG2 LYS 47 HG2 LYS 47 51.178 55.829 45.978 378 HG3 LYS 47 HG3 LYS 47 51.788 56.735 44.599 379 HD2 LYS 47 HD2 LYS 47 52.322 58.648 46.089 380 HD3 LYS 47 HD3 LYS 47 51.719 57.720 47.477 381 HE2 LYS 47 HE2 LYS 47 53.366 55.945 47.011 382 HE3 LYS 47 HE3 LYS 47 53.998 56.875 45.642 383 HZ1 LYS 47 HZ1 LYS 47 55.216 57.316 47.767 384 HZ2 LYS 47 HZ2 LYS 47 54.526 58.669 47.147 385 HZ3 LYS 47 HZ3 LYS 47 53.847 57.881 48.400 386 H ILE 48 H ILE 48 51.524 60.520 44.547 387 HA ILE 48 HA ILE 48 52.969 59.306 42.247 388 HB ILE 48 HB ILE 48 52.846 61.968 43.561 389 HG12 ILE 48 HG12 ILE 48 51.686 61.140 41.409 390 HG13 ILE 48 HG13 ILE 48 52.489 62.727 41.409 391 HG21 ILE 48 HG21 ILE 48 55.298 61.092 42.035 392 HG22 ILE 48 HG22 ILE 48 54.826 62.777 42.340 393 HG23 ILE 48 HG23 ILE 48 55.230 61.722 43.708 394 HD11 ILE 48 HD11 ILE 48 53.802 60.245 40.205 395 HD12 ILE 48 HD12 ILE 48 52.752 61.386 39.323 396 HD13 ILE 48 HD13 ILE 48 54.279 61.935 40.029 397 HA PRO 49 HA PRO 49 56.142 57.865 45.258 398 HB2 PRO 49 HB2 PRO 49 57.575 56.378 43.474 399 HB3 PRO 49 HB3 PRO 49 56.110 55.777 44.251 400 HG2 PRO 49 HG2 PRO 49 56.390 57.027 41.491 401 HG3 PRO 49 HG3 PRO 49 55.449 55.569 41.956 402 HD2 PRO 49 HD2 PRO 49 54.383 58.076 41.568 403 HD3 PRO 49 HD3 PRO 49 53.666 56.968 42.748 404 H LYS 50 H LYS 50 58.623 57.930 45.015 405 HA LYS 50 HA LYS 50 59.831 59.665 43.114 406 HB2 LYS 50 HB2 LYS 50 59.108 60.793 45.806 407 HB3 LYS 50 HB3 LYS 50 60.679 61.203 45.084 408 HG2 LYS 50 HG2 LYS 50 59.075 61.574 42.919 409 HG3 LYS 50 HG3 LYS 50 57.921 61.958 44.188 410 HD2 LYS 50 HD2 LYS 50 59.333 63.789 44.985 411 HD3 LYS 50 HD3 LYS 50 60.682 63.235 43.965 412 HE2 LYS 50 HE2 LYS 50 59.357 63.619 41.936 413 HE3 LYS 50 HE3 LYS 50 57.932 64.001 42.902 414 HZ1 LYS 50 HZ1 LYS 50 59.083 65.975 43.695 415 HZ2 LYS 50 HZ2 LYS 50 60.389 65.628 42.805 416 HZ3 LYS 50 HZ3 LYS 50 58.970 65.981 42.088 417 H ASP 51 H ASP 51 61.514 58.755 42.802 418 HA ASP 51 HA ASP 51 63.250 57.076 44.352 419 HB2 ASP 51 HB2 ASP 51 63.290 57.179 41.904 420 HB3 ASP 51 HB3 ASP 51 63.824 58.874 41.953 421 H LYS 52 H LYS 52 65.489 57.488 45.083 422 HA LYS 52 HA LYS 52 65.936 59.567 46.846 423 HB2 LYS 52 HB2 LYS 52 68.331 59.101 46.641 424 HB3 LYS 52 HB3 LYS 52 67.374 57.659 46.810 425 HG2 LYS 52 HG2 LYS 52 68.602 56.874 45.078 426 HG3 LYS 52 HG3 LYS 52 67.536 57.828 44.050 427 HD2 LYS 52 HD2 LYS 52 69.179 59.758 44.212 428 HD3 LYS 52 HD3 LYS 52 70.215 58.720 45.208 429 HE2 LYS 52 HE2 LYS 52 70.224 57.098 43.208 430 HE3 LYS 52 HE3 LYS 52 69.452 58.374 42.281 431 HZ1 LYS 52 HZ1 LYS 52 72.066 58.206 42.293 432 HZ2 LYS 52 HZ2 LYS 52 71.370 59.660 42.349 433 HZ3 LYS 52 HZ3 LYS 52 71.961 59.014 43.679 434 H ASP 53 H ASP 53 66.664 59.572 43.284 435 HA ASP 53 HA ASP 53 67.693 62.254 43.183 436 HB2 ASP 53 HB2 ASP 53 68.039 60.523 41.454 437 HB3 ASP 53 HB3 ASP 53 66.347 60.654 40.969 438 H GLY 54 H GLY 54 64.462 60.939 43.335 439 HA2 GLY 54 HA2 GLY 54 62.619 62.281 44.070 440 HA3 GLY 54 HA3 GLY 54 63.292 63.671 43.260 441 H LYS 55 H LYS 55 62.501 60.352 41.923 442 HA LYS 55 HA LYS 55 60.679 61.750 40.030 443 HB2 LYS 55 HB2 LYS 55 62.895 61.291 39.022 444 HB3 LYS 55 HB3 LYS 55 62.641 59.550 39.226 445 HG2 LYS 55 HG2 LYS 55 61.956 59.873 36.965 446 HG3 LYS 55 HG3 LYS 55 60.451 59.929 37.795 447 HD2 LYS 55 HD2 LYS 55 60.421 61.918 36.445 448 HD3 LYS 55 HD3 LYS 55 60.911 62.531 38.032 449 HE2 LYS 55 HE2 LYS 55 63.336 62.239 37.287 450 HE3 LYS 55 HE3 LYS 55 62.709 61.952 35.657 451 HZ1 LYS 55 HZ1 LYS 55 61.773 64.171 35.709 452 HZ2 LYS 55 HZ2 LYS 55 62.289 64.400 37.252 453 HZ3 LYS 55 HZ3 LYS 55 63.363 64.208 36.081 454 HA PRO 56 HA PRO 56 57.946 58.548 41.204 455 HB2 PRO 56 HB2 PRO 56 56.044 58.774 39.092 456 HB3 PRO 56 HB3 PRO 56 56.131 59.760 40.590 457 HG2 PRO 56 HG2 PRO 56 57.243 60.175 37.834 458 HG3 PRO 56 HG3 PRO 56 56.445 61.437 38.889 459 HD2 PRO 56 HD2 PRO 56 59.085 61.393 38.570 460 HD3 PRO 56 HD3 PRO 56 58.337 61.781 40.126 461 H LYS 57 H LYS 57 60.110 57.952 38.981 462 HA LYS 57 HA LYS 57 60.847 56.029 37.894 463 HB2 LYS 57 HB2 LYS 57 58.850 54.591 39.665 464 HB3 LYS 57 HB3 LYS 57 60.354 53.957 38.981 465 HG2 LYS 57 HG2 LYS 57 61.057 54.241 41.078 466 HG3 LYS 57 HG3 LYS 57 61.432 55.876 40.493 467 HD2 LYS 57 HD2 LYS 57 59.412 56.749 41.609 468 HD3 LYS 57 HD3 LYS 57 58.908 55.117 42.057 469 HE2 LYS 57 HE2 LYS 57 61.623 56.237 42.820 470 HE3 LYS 57 HE3 LYS 57 60.136 56.719 43.710 471 HZ1 LYS 57 HZ1 LYS 57 61.245 54.017 43.577 472 HZ2 LYS 57 HZ2 LYS 57 61.210 54.999 44.825 473 HZ3 LYS 57 HZ3 LYS 57 59.795 54.446 44.249 474 H GLN 58 H GLN 58 58.499 57.312 36.665 475 HA GLN 58 HA GLN 58 57.063 57.154 35.021 476 HB2 GLN 58 HB2 GLN 58 58.618 54.754 34.296 477 HB3 GLN 58 HB3 GLN 58 57.141 55.255 33.398 478 HG2 GLN 58 HG2 GLN 58 58.106 57.551 33.192 479 HG3 GLN 58 HG3 GLN 58 59.643 56.896 33.756 480 HE21 GLN 58 HE21 GLN 58 57.224 56.885 31.094 481 HE22 GLN 58 HE22 GLN 58 58.212 56.000 29.978 482 H PHE 59 H PHE 59 56.129 56.329 37.578 483 HA PHE 59 HA PHE 59 53.689 54.938 36.868 484 HB2 PHE 59 HB2 PHE 59 53.676 53.136 38.150 485 HB3 PHE 59 HB3 PHE 59 55.142 53.102 37.183 486 HD1 PHE 59 HD1 PHE 59 53.824 53.706 40.648 487 HD2 PHE 59 HD2 PHE 59 57.206 52.715 38.183 488 HE1 PHE 59 HE1 PHE 59 55.105 53.126 42.669 489 HE2 PHE 59 HE2 PHE 59 58.516 52.128 40.230 490 HZ PHE 59 HZ PHE 59 57.461 52.319 42.471 491 H ALA 60 H ALA 60 52.233 54.866 38.803 492 HA ALA 60 HA ALA 60 52.490 56.467 41.240 493 HB1 ALA 60 HB1 ALA 60 51.212 57.505 38.730 494 HB2 ALA 60 HB2 ALA 60 50.454 57.854 40.296 495 HB3 ALA 60 HB3 ALA 60 52.131 58.348 40.010 496 H PHE 61 H PHE 61 49.970 56.621 42.044 497 HA PHE 61 HA PHE 61 48.328 54.394 41.043 498 HB2 PHE 61 HB2 PHE 61 49.126 54.803 43.967 499 HB3 PHE 61 HB3 PHE 61 47.670 53.986 43.487 500 HD1 PHE 61 HD2 PHE 61 51.356 53.822 43.793 501 HD2 PHE 61 HD1 PHE 61 47.805 51.571 42.817 502 HE1 PHE 61 HE2 PHE 61 52.544 51.709 44.285 503 HE2 PHE 61 HE1 PHE 61 49.051 49.471 43.196 504 HZ PHE 61 HZ PHE 61 51.407 49.520 43.927 505 H VAL 62 H VAL 62 46.029 54.553 41.727 506 HA VAL 62 HA VAL 62 45.121 57.186 42.752 507 HB VAL 62 HB VAL 62 43.926 55.938 40.229 508 HG11 VAL 62 HG11 VAL 62 43.333 58.459 41.815 509 HG12 VAL 62 HG12 VAL 62 42.729 58.147 40.159 510 HG13 VAL 62 HG13 VAL 62 42.218 57.111 41.490 511 HG21 VAL 62 HG21 VAL 62 46.047 56.942 39.684 512 HG22 VAL 62 HG22 VAL 62 44.785 58.104 39.205 513 HG23 VAL 62 HG23 VAL 62 45.687 58.364 40.714 514 H ASN 63 H ASN 63 43.306 57.253 43.896 515 HA ASN 63 HA ASN 63 42.404 54.683 44.983 516 HB2 ASN 63 HB2 ASN 63 43.411 56.540 46.409 517 HB3 ASN 63 HB3 ASN 63 41.960 57.480 46.019 518 HD21 ASN 63 HD22 ASN 63 42.437 53.985 46.981 519 HD22 ASN 63 HD21 ASN 63 40.949 54.032 47.923 520 H PHE 64 H PHE 64 40.373 54.078 45.328 521 HA PHE 64 HA PHE 64 38.080 55.592 44.284 522 HB2 PHE 64 HB2 PHE 64 39.162 52.907 43.472 523 HB3 PHE 64 HB3 PHE 64 37.410 53.132 43.440 524 HD1 PHE 64 HD2 PHE 64 36.473 55.129 42.081 525 HD2 PHE 64 HD1 PHE 64 40.495 53.635 41.607 526 HE1 PHE 64 HE2 PHE 64 36.825 56.685 40.208 527 HE2 PHE 64 HE1 PHE 64 40.797 55.118 39.642 528 HZ PHE 64 HZ PHE 64 39.025 56.731 39.019 529 H LYS 65 H LYS 65 36.083 54.648 45.112 530 HA LYS 65 HA LYS 65 36.111 54.098 47.993 531 HB2 LYS 65 HB2 LYS 65 34.836 55.951 46.757 532 HB3 LYS 65 HB3 LYS 65 33.793 54.691 46.113 533 HG2 LYS 65 HG2 LYS 65 33.205 54.096 48.502 534 HG3 LYS 65 HG3 LYS 65 34.238 55.465 49.017 535 HD2 LYS 65 HD2 LYS 65 32.904 57.030 47.692 536 HD3 LYS 65 HD3 LYS 65 31.915 55.718 47.056 537 HE2 LYS 65 HE2 LYS 65 30.917 55.315 49.221 538 HE3 LYS 65 HE3 LYS 65 31.959 56.561 49.966 539 HZ1 LYS 65 HZ1 LYS 65 30.936 58.172 48.504 540 HZ2 LYS 65 HZ2 LYS 65 30.113 57.034 47.709 541 HZ3 LYS 65 HZ3 LYS 65 29.719 57.421 49.239 542 H HIS 66 H HIS 66 37.088 51.965 47.287 543 HA HIS 66 HA HIS 66 37.055 49.726 46.940 544 HB2 HIS 66 HB2 HIS 66 34.262 49.681 48.088 545 HB3 HIS 66 HB3 HIS 66 35.503 48.428 48.168 546 HD2 HIS 66 HD2 HIS 66 37.272 48.581 50.123 547 HE1 HIS 66 HE1 HIS 66 35.823 52.173 51.899 548 HE2 HIS 66 HE2 HIS 66 37.459 50.246 52.143 549 H GLU 67 H GLU 67 36.225 51.313 44.681 550 HA GLU 67 HA GLU 67 34.717 49.261 43.101 551 HB2 GLU 67 HB2 GLU 67 33.557 50.839 41.834 552 HB3 GLU 67 HB3 GLU 67 33.168 50.957 43.530 553 HG2 GLU 67 HG2 GLU 67 34.600 53.020 43.676 554 HG3 GLU 67 HG3 GLU 67 34.945 52.847 41.956 555 H VAL 68 H VAL 68 37.537 49.411 43.395 556 HA VAL 68 HA VAL 68 38.866 50.112 40.981 557 HB VAL 68 HB VAL 68 40.391 48.191 41.653 558 HG11 VAL 68 HG11 VAL 68 39.677 50.400 43.617 559 HG12 VAL 68 HG12 VAL 68 41.208 49.466 43.592 560 HG13 VAL 68 HG13 VAL 68 40.761 50.496 42.221 561 HG21 VAL 68 HG21 VAL 68 40.096 47.190 43.869 562 HG22 VAL 68 HG22 VAL 68 38.543 47.994 44.108 563 HG23 VAL 68 HG23 VAL 68 38.715 46.771 42.846 564 H SER 69 H SER 69 36.493 47.655 41.418 565 HA SER 69 HA SER 69 37.164 45.887 39.266 566 HB2 SER 69 HB2 SER 69 35.622 45.428 41.170 567 HB3 SER 69 HB3 SER 69 34.429 46.491 40.423 568 HG SER 69 HG SER 69 34.281 44.302 39.796 569 H VAL 70 H VAL 70 36.512 45.827 37.139 570 HA VAL 70 HA VAL 70 36.764 46.893 35.112 571 HB VAL 70 HB VAL 70 33.972 47.924 35.730 572 HG11 VAL 70 HG11 VAL 70 35.269 47.358 33.034 573 HG12 VAL 70 HG12 VAL 70 33.563 47.751 33.336 574 HG13 VAL 70 HG13 VAL 70 34.790 48.952 33.680 575 HG21 VAL 70 HG21 VAL 70 33.758 45.620 36.068 576 HG22 VAL 70 HG22 VAL 70 33.273 45.842 34.385 577 HG23 VAL 70 HG23 VAL 70 34.869 45.192 34.728 578 HA PRO 71 HA PRO 71 38.034 50.881 37.279 579 HB2 PRO 71 HB2 PRO 71 40.563 50.941 36.153 580 HB3 PRO 71 HB3 PRO 71 40.050 50.190 37.722 581 HG2 PRO 71 HG2 PRO 71 40.551 48.893 35.036 582 HG3 PRO 71 HG3 PRO 71 41.029 48.313 36.667 583 HD2 PRO 71 HD2 PRO 71 38.885 47.406 35.297 584 HD3 PRO 71 HD3 PRO 71 38.889 47.501 37.087 585 H TYR 72 H TYR 72 37.284 52.704 36.447 586 HA TYR 72 HA TYR 72 36.157 52.669 33.921 587 HB2 TYR 72 HB2 TYR 72 35.512 54.075 35.981 588 HB3 TYR 72 HB3 TYR 72 36.659 55.279 35.430 589 HD1 TYR 72 HD2 TYR 72 33.480 53.582 34.805 590 HD2 TYR 72 HD1 TYR 72 36.199 56.595 33.361 591 HE1 TYR 72 HE2 TYR 72 31.880 54.158 33.011 592 HE2 TYR 72 HE1 TYR 72 34.445 57.411 31.783 593 HH TYR 72 HH TYR 72 32.283 56.932 30.897 594 H ALA 73 H ALA 73 39.107 54.348 34.970 595 HA ALA 73 HA ALA 73 39.717 55.701 32.635 596 HB1 ALA 73 HB1 ALA 73 41.595 54.568 34.764 597 HB2 ALA 73 HB2 ALA 73 42.004 55.802 33.546 598 HB3 ALA 73 HB3 ALA 73 40.793 56.146 34.801 599 H MET 74 H MET 74 40.213 52.298 33.336 600 HA MET 74 HA MET 74 42.229 51.732 31.444 601 HB2 MET 74 HB2 MET 74 41.101 50.365 33.443 602 HB3 MET 74 HB3 MET 74 40.164 49.635 32.138 603 HG2 MET 74 HG2 MET 74 43.188 49.800 32.220 604 HG3 MET 74 HG3 MET 74 42.292 48.493 32.966 605 HE1 MET 74 HE1 MET 74 40.916 46.606 31.717 606 HE2 MET 74 HE2 MET 74 39.936 47.770 30.803 607 HE3 MET 74 HE3 MET 74 40.795 46.477 29.955 608 H ASN 75 H ASN 75 38.752 52.283 31.040 609 HA ASN 75 HA ASN 75 39.058 51.794 28.126 610 HB2 ASN 75 HB2 ASN 75 37.106 50.805 29.149 611 HB3 ASN 75 HB3 ASN 75 36.532 52.350 29.727 612 HD21 ASN 75 HD22 ASN 75 35.396 53.698 28.178 613 HD22 ASN 75 HD21 ASN 75 35.352 53.281 26.467 614 H LEU 76 H LEU 76 38.687 54.546 30.448 615 HA LEU 76 HA LEU 76 37.838 56.303 28.366 616 HB2 LEU 76 HB2 LEU 76 37.625 56.239 31.046 617 HB3 LEU 76 HB3 LEU 76 39.123 57.127 31.003 618 HG LEU 76 HG LEU 76 37.048 58.366 31.446 619 HD11 LEU 76 HD11 LEU 76 38.479 59.457 28.993 620 HD12 LEU 76 HD12 LEU 76 37.375 60.336 30.057 621 HD13 LEU 76 HD13 LEU 76 38.905 59.744 30.710 622 HD21 LEU 76 HD21 LEU 76 35.606 57.194 29.756 623 HD22 LEU 76 HD22 LEU 76 35.487 58.969 29.766 624 HD23 LEU 76 HD23 LEU 76 36.411 58.159 28.490 625 H LEU 77 H LEU 77 40.871 56.075 30.131 626 HA LEU 77 HA LEU 77 42.227 57.838 28.161 627 HB2 LEU 77 HB2 LEU 77 43.340 56.882 30.818 628 HB3 LEU 77 HB3 LEU 77 44.059 57.990 29.680 629 HG LEU 77 HG LEU 77 43.539 59.272 31.420 630 HD11 LEU 77 HD11 LEU 77 41.025 59.661 29.724 631 HD12 LEU 77 HD12 LEU 77 41.620 60.815 30.935 632 HD13 LEU 77 HD13 LEU 77 42.587 60.501 29.526 633 HD21 LEU 77 HD21 LEU 77 42.426 57.690 32.711 634 HD22 LEU 77 HD22 LEU 77 41.719 59.295 32.862 635 HD23 LEU 77 HD23 LEU 77 40.838 58.059 31.939 636 H ASN 78 H ASN 78 43.728 55.247 30.062 637 HA ASN 78 HA ASN 78 45.679 54.235 29.302 638 HB2 ASN 78 HB2 ASN 78 43.866 52.789 30.062 639 HB3 ASN 78 HB3 ASN 78 43.338 52.571 28.347 640 HD21 ASN 78 HD22 ASN 78 45.565 51.918 27.069 641 HD22 ASN 78 HD21 ASN 78 46.099 50.373 27.747 642 H GLY 79 H GLY 79 46.633 55.650 27.776 643 HA2 GLY 79 HA2 GLY 79 47.942 55.187 25.700 644 HA3 GLY 79 HA3 GLY 79 46.439 54.855 24.858 645 H ILE 80 H ILE 80 46.854 57.567 27.166 646 HA ILE 80 HA ILE 80 46.488 59.421 24.857 647 HB ILE 80 HB ILE 80 44.733 60.584 25.822 648 HG12 ILE 80 HG12 ILE 80 43.802 59.480 28.116 649 HG13 ILE 80 HG13 ILE 80 45.578 59.272 28.320 650 HG21 ILE 80 HG21 ILE 80 44.105 57.605 26.037 651 HG22 ILE 80 HG22 ILE 80 42.902 58.899 26.083 652 HG23 ILE 80 HG23 ILE 80 43.902 58.672 24.648 653 HD11 ILE 80 HD11 ILE 80 44.043 61.836 27.787 654 HD12 ILE 80 HD12 ILE 80 44.798 61.399 29.319 655 HD13 ILE 80 HD13 ILE 80 45.826 61.751 27.926 656 H LYS 81 H LYS 81 47.426 61.348 25.017 657 HA LYS 81 HA LYS 81 48.484 62.331 27.519 658 HB2 LYS 81 HB2 LYS 81 50.937 62.453 26.516 659 HB3 LYS 81 HB3 LYS 81 50.317 61.094 27.393 660 HG2 LYS 81 HG2 LYS 81 51.472 60.190 25.561 661 HG3 LYS 81 HG3 LYS 81 49.745 59.976 25.224 662 HD2 LYS 81 HD2 LYS 81 49.890 61.955 23.657 663 HD3 LYS 81 HD3 LYS 81 51.567 62.154 24.152 664 HE2 LYS 81 HE2 LYS 81 52.020 59.795 23.218 665 HE3 LYS 81 HE3 LYS 81 50.319 59.740 22.699 666 HZ1 LYS 81 HZ1 LYS 81 51.693 60.447 20.850 667 HZ2 LYS 81 HZ2 LYS 81 50.730 61.671 21.382 668 HZ3 LYS 81 HZ3 LYS 81 52.278 61.694 21.762 669 H LEU 82 H LEU 82 50.009 64.176 27.122 670 HA LEU 82 HA LEU 82 49.583 66.017 24.818 671 HB2 LEU 82 HB2 LEU 82 47.995 66.709 26.496 672 HB3 LEU 82 HB3 LEU 82 49.228 66.739 27.749 673 HG LEU 82 HG LEU 82 50.422 68.544 26.412 674 HD11 LEU 82 HD11 LEU 82 47.934 68.246 24.717 675 HD12 LEU 82 HD12 LEU 82 48.663 69.851 24.920 676 HD13 LEU 82 HD13 LEU 82 49.609 68.543 24.202 677 HD21 LEU 82 HD21 LEU 82 48.750 70.298 27.135 678 HD22 LEU 82 HD22 LEU 82 47.566 68.992 27.372 679 HD23 LEU 82 HD23 LEU 82 49.040 69.056 28.366 680 H TYR 83 H TYR 83 51.364 65.224 27.831 681 HA TYR 83 HA TYR 83 53.712 66.718 27.326 682 HB2 TYR 83 HB2 TYR 83 53.178 64.278 29.046 683 HB3 TYR 83 HB3 TYR 83 54.634 65.247 29.064 684 HD1 TYR 83 HD1 TYR 83 51.404 67.221 28.966 685 HD2 TYR 83 HD2 TYR 83 54.157 65.099 31.508 686 HE1 TYR 83 HE1 TYR 83 50.710 68.605 30.882 687 HE2 TYR 83 HE2 TYR 83 53.443 66.527 33.443 688 HH TYR 83 HH TYR 83 51.002 68.993 33.154 689 H GLY 84 H GLY 84 53.108 63.164 26.815 690 HA2 GLY 84 HA2 GLY 84 54.344 62.841 24.399 691 HA3 GLY 84 HA3 GLY 84 55.730 62.872 25.484 692 H ARG 85 H ARG 85 54.480 61.437 27.664 693 HA ARG 85 HA ARG 85 54.528 58.631 26.586 694 HB2 ARG 85 HB2 ARG 85 55.282 59.727 29.328 695 HB3 ARG 85 HB3 ARG 85 55.020 58.041 28.974 696 HG2 ARG 85 HG2 ARG 85 57.241 58.056 28.583 697 HG3 ARG 85 HG3 ARG 85 56.700 58.468 26.961 698 HD2 ARG 85 HD2 ARG 85 57.156 60.845 27.406 699 HD3 ARG 85 HD3 ARG 85 57.621 60.464 29.078 700 HE ARG 85 HE ARG 85 59.132 58.809 27.277 701 HH11 ARG 85 HH11 ARG 85 59.111 62.098 28.552 702 HH12 ARG 85 HH12 ARG 85 60.812 62.258 28.125 703 HH21 ARG 85 HH21 ARG 85 61.277 58.872 27.677 704 HH22 ARG 85 HH22 ARG 85 61.987 60.473 27.812 705 HA PRO 86 HA PRO 86 50.132 58.885 27.446 706 HB2 PRO 86 HB2 PRO 86 49.408 56.450 26.526 707 HB3 PRO 86 HB3 PRO 86 49.730 57.859 25.485 708 HG2 PRO 86 HG2 PRO 86 51.625 55.571 26.228 709 HG3 PRO 86 HG3 PRO 86 51.340 56.256 24.589 710 HD2 PRO 86 HD2 PRO 86 53.468 56.900 26.223 711 HD3 PRO 86 HD3 PRO 86 52.766 58.083 25.105 712 H ILE 87 H ILE 87 48.945 58.389 29.121 713 HA ILE 87 HA ILE 87 50.074 56.862 31.282 714 HB ILE 87 HB ILE 87 47.583 58.447 30.715 715 HG12 ILE 87 HG12 ILE 87 49.631 59.547 31.504 716 HG13 ILE 87 HG13 ILE 87 48.228 59.848 32.519 717 HG21 ILE 87 HG21 ILE 87 46.448 56.639 31.932 718 HG22 ILE 87 HG22 ILE 87 47.741 56.595 33.133 719 HG23 ILE 87 HG23 ILE 87 46.643 57.984 33.045 720 HD11 ILE 87 HD11 ILE 87 50.584 58.118 33.214 721 HD12 ILE 87 HD12 ILE 87 49.973 59.585 34.010 722 HD13 ILE 87 HD13 ILE 87 49.031 58.105 34.122 723 H LYS 88 H LYS 88 49.992 54.820 31.783 724 HA LYS 88 HA LYS 88 48.056 53.026 30.428 725 HB2 LYS 88 HB2 LYS 88 50.338 52.633 29.700 726 HB3 LYS 88 HB3 LYS 88 50.885 52.504 31.369 727 HG2 LYS 88 HG2 LYS 88 50.607 50.276 30.285 728 HG3 LYS 88 HG3 LYS 88 49.673 50.508 31.771 729 HD2 LYS 88 HD2 LYS 88 47.656 51.018 30.200 730 HD3 LYS 88 HD3 LYS 88 48.714 50.445 28.911 731 HE2 LYS 88 HE2 LYS 88 48.789 48.204 29.952 732 HE3 LYS 88 HE3 LYS 88 48.037 48.831 31.443 733 HZ1 LYS 88 HZ1 LYS 88 46.439 47.677 30.089 734 HZ2 LYS 88 HZ2 LYS 88 46.060 49.261 30.171 735 HZ3 LYS 88 HZ3 LYS 88 46.747 48.604 28.824 736 H ILE 89 H ILE 89 46.461 52.581 31.744 737 HA ILE 89 HA ILE 89 46.769 52.301 34.657 738 HB ILE 89 HB ILE 89 44.324 51.993 32.873 739 HG12 ILE 89 HG12 ILE 89 43.843 54.227 34.350 740 HG13 ILE 89 HG13 ILE 89 45.601 54.366 34.179 741 HG21 ILE 89 HG21 ILE 89 44.604 52.004 35.901 742 HG22 ILE 89 HG22 ILE 89 43.046 52.089 35.015 743 HG23 ILE 89 HG23 ILE 89 44.060 50.664 34.897 744 HD11 ILE 89 HD11 ILE 89 43.587 53.947 31.945 745 HD12 ILE 89 HD12 ILE 89 44.247 55.521 32.437 746 HD13 ILE 89 HD13 ILE 89 45.316 54.296 31.707 747 H GLN 90 H GLN 90 46.662 50.474 35.864 748 HA GLN 90 HA GLN 90 46.341 47.808 34.648 749 HB2 GLN 90 HB2 GLN 90 48.746 49.037 36.019 750 HB3 GLN 90 HB3 GLN 90 48.452 47.329 36.303 751 HG2 GLN 90 HG2 GLN 90 48.829 48.601 33.598 752 HG3 GLN 90 HG3 GLN 90 50.056 47.752 34.545 753 HE21 GLN 90 HE22 GLN 90 49.614 46.813 32.051 754 HE22 GLN 90 HE21 GLN 90 48.798 45.261 32.044 755 H PHE 91 H PHE 91 46.619 46.190 36.546 756 HA PHE 91 HA PHE 91 45.949 47.245 39.176 757 HB2 PHE 91 HB2 PHE 91 43.724 46.725 38.050 758 HB3 PHE 91 HB3 PHE 91 44.234 45.037 38.044 759 HD1 PHE 91 HD2 PHE 91 44.088 47.925 40.529 760 HD2 PHE 91 HD1 PHE 91 43.473 43.704 39.827 761 HE1 PHE 91 HE2 PHE 91 43.030 47.695 42.756 762 HE2 PHE 91 HE1 PHE 91 42.601 43.461 42.110 763 HZ PHE 91 HZ PHE 91 42.300 45.488 43.564 764 H ARG 92 H ARG 92 46.379 45.719 40.831 765 HA ARG 92 HA ARG 92 47.091 42.964 40.184 766 HB2 ARG 92 HB2 ARG 92 48.948 44.736 41.817 767 HB3 ARG 92 HB3 ARG 92 48.915 42.997 41.980 768 HG2 ARG 92 HG2 ARG 92 49.584 44.487 39.407 769 HG3 ARG 92 HG3 ARG 92 50.744 43.849 40.571 770 HD2 ARG 92 HD2 ARG 92 50.862 42.315 38.954 771 HD3 ARG 92 HD3 ARG 92 49.822 41.537 40.146 772 HE ARG 92 HE ARG 92 48.415 42.952 37.953 773 HH11 ARG 92 HH11 ARG 92 49.865 39.902 38.964 774 HH12 ARG 92 HH12 ARG 92 48.955 38.984 37.796 775 HH21 ARG 92 HH21 ARG 92 47.524 41.612 36.279 776 HH22 ARG 92 HH22 ARG 92 48.075 39.960 36.105 777 H SER 93 H SER 93 46.546 41.576 41.752 778 HA SER 93 HA SER 93 44.768 42.578 43.948 779 HB2 SER 93 HB2 SER 93 45.006 39.682 43.089 780 HB3 SER 93 HB3 SER 93 43.736 40.439 44.055 781 HG SER 93 HG SER 93 44.130 40.859 41.348 782 H GLY 94 H GLY 94 44.852 41.708 45.994 783 HA2 GLY 94 HA2 GLY 94 47.398 40.598 46.911 784 HA3 GLY 94 HA3 GLY 94 46.004 41.056 47.898 785 H SER 95 H SER 95 46.933 39.057 48.875 786 HA SER 95 HA SER 95 46.648 36.471 47.746 787 HB2 SER 95 HB2 SER 95 46.847 37.326 50.677 788 HB3 SER 95 HB3 SER 95 47.279 35.746 50.015 789 HG SER 95 HG SER 95 48.971 36.644 49.037 790 H SER 96 H SER 96 45.308 34.753 48.470 791 HA SER 96 HA SER 96 42.660 35.297 49.630 792 HB2 SER 96 HB2 SER 96 42.595 35.537 46.998 793 HB3 SER 96 HB3 SER 96 42.834 33.791 47.002 794 HG SER 96 HG SER 96 40.912 33.540 47.752 795 H HIS 97 H HIS 97 41.834 33.368 50.546 796 HA HIS 97 HA HIS 97 42.062 31.611 51.926 797 HB2 HIS 97 HB2 HIS 97 43.456 30.240 49.597 798 HB3 HIS 97 HB3 HIS 97 42.938 29.473 51.106 799 HD2 HIS 97 HD2 HIS 97 40.072 31.277 51.021 800 HE1 HIS 97 HE1 HIS 97 39.204 28.383 48.036 801 HE2 HIS 97 HE2 HIS 97 38.220 30.065 49.665 802 H ALA 98 H ALA 98 43.769 33.567 52.592 803 HA ALA 98 HA ALA 98 46.359 32.351 53.257 804 HB1 ALA 98 HB1 ALA 98 45.145 35.067 53.838 805 HB2 ALA 98 HB2 ALA 98 46.753 34.517 54.368 806 HB3 ALA 98 HB3 ALA 98 46.388 34.659 52.629 807 HA PRO 99 HA PRO 99 44.998 31.304 57.480 808 HB2 PRO 99 HB2 PRO 99 47.349 31.556 58.891 809 HB3 PRO 99 HB3 PRO 99 46.930 30.177 57.825 810 HG2 PRO 99 HG2 PRO 99 48.754 32.498 57.327 811 HG3 PRO 99 HG3 PRO 99 48.820 30.787 56.755 812 HD2 PRO 99 HD2 PRO 99 47.932 33.073 55.333 813 HD3 PRO 99 HD3 PRO 99 47.619 31.376 54.862 814 H GLN 100 H GLN 100 44.094 32.337 59.210 815 HA GLN 100 HA GLN 100 44.476 35.178 59.590 816 HB2 GLN 100 HB2 GLN 100 43.018 33.195 61.368 817 HB3 GLN 100 HB3 GLN 100 42.955 34.959 61.460 818 HG2 GLN 100 HG2 GLN 100 41.946 35.019 59.167 819 HG3 GLN 100 HG3 GLN 100 41.825 33.276 59.181 820 HE21 GLN 100 HE22 GLN 100 39.374 34.566 58.970 821 HE22 GLN 100 HE21 GLN 100 38.482 34.457 60.468 822 H ASP 101 H ASP 101 45.757 32.349 61.239 823 HA ASP 101 HA ASP 101 47.826 33.877 62.729 824 HB2 ASP 101 HB2 ASP 101 45.870 33.482 64.178 825 HB3 ASP 101 HB3 ASP 101 46.015 31.757 63.895 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 32.253 16.939 51.286 2 H2 GLY 1 H2 GLY 1 33.778 16.918 50.673 3 H3 GLY 1 H3 GLY 1 32.885 15.524 50.773 4 HA2 GLY 1 HA2 GLY 1 31.328 16.205 49.188 5 HA3 GLY 1 HA3 GLY 1 32.063 17.804 49.125 6 H SER 2 H SER 2 32.336 17.237 46.739 7 HA SER 2 HA SER 2 34.712 15.614 46.214 8 HB2 SER 2 HB2 SER 2 33.088 17.318 44.279 9 HB3 SER 2 HB3 SER 2 34.312 16.064 43.909 10 HG SER 2 HG SER 2 33.009 14.590 44.799 11 H GLU 3 H GLU 3 34.437 19.089 46.832 12 HA GLU 3 HA GLU 3 37.187 19.436 45.702 13 HB2 GLU 3 HB2 GLU 3 34.952 21.411 46.309 14 HB3 GLU 3 HB3 GLU 3 36.617 21.875 46.047 15 HG2 GLU 3 HG2 GLU 3 35.835 22.270 43.989 16 HG3 GLU 3 HG3 GLU 3 36.468 20.672 43.748 17 H PHE 4 H PHE 4 38.784 20.344 46.925 18 HA PHE 4 HA PHE 4 38.373 20.659 49.821 19 HB2 PHE 4 HB2 PHE 4 39.176 18.338 49.430 20 HB3 PHE 4 HB3 PHE 4 40.601 18.951 48.612 21 HD1 PHE 4 HD2 PHE 4 38.726 19.151 51.850 22 HD2 PHE 4 HD1 PHE 4 42.598 19.188 49.928 23 HE1 PHE 4 HE2 PHE 4 39.822 18.786 54.030 24 HE2 PHE 4 HE1 PHE 4 43.680 18.903 52.120 25 HZ PHE 4 HZ PHE 4 42.303 18.577 54.161 26 H GLU 5 H GLU 5 40.679 21.124 47.051 27 HA GLU 5 HA GLU 5 42.176 23.163 48.592 28 HB2 GLU 5 HB2 GLU 5 44.035 22.393 47.558 29 HB3 GLU 5 HB3 GLU 5 43.051 20.933 47.599 30 HG2 GLU 5 HG2 GLU 5 42.272 21.722 45.222 31 HG3 GLU 5 HG3 GLU 5 43.716 22.719 45.307 32 H LEU 6 H LEU 6 39.748 23.249 46.350 33 HA LEU 6 HA LEU 6 40.567 25.500 44.653 34 HB2 LEU 6 HB2 LEU 6 37.857 24.198 45.112 35 HB3 LEU 6 HB3 LEU 6 38.151 25.548 44.076 36 HG LEU 6 HG LEU 6 38.018 23.678 42.720 37 HD11 LEU 6 HD11 LEU 6 41.020 24.063 42.813 38 HD12 LEU 6 HD12 LEU 6 39.984 23.585 41.455 39 HD13 LEU 6 HD13 LEU 6 39.879 25.230 42.083 40 HD21 LEU 6 HD21 LEU 6 39.192 21.603 42.953 41 HD22 LEU 6 HD22 LEU 6 40.278 22.253 44.192 42 HD23 LEU 6 HD23 LEU 6 38.567 21.991 44.568 43 H ARG 7 H ARG 7 40.404 27.561 45.217 44 HA ARG 7 HA ARG 7 39.480 28.542 47.803 45 HB2 ARG 7 HB2 ARG 7 40.176 29.920 45.169 46 HB3 ARG 7 HB3 ARG 7 39.789 30.764 46.654 47 HG2 ARG 7 HG2 ARG 7 42.074 30.747 46.971 48 HG3 ARG 7 HG3 ARG 7 41.756 29.157 47.626 49 HD2 ARG 7 HD2 ARG 7 43.582 28.864 46.223 50 HD3 ARG 7 HD3 ARG 7 42.227 28.211 45.293 51 HE ARG 7 HE ARG 7 42.657 30.989 44.601 52 HH11 ARG 7 HH11 ARG 7 44.499 27.931 44.271 53 HH12 ARG 7 HH12 ARG 7 45.265 28.526 42.835 54 HH21 ARG 7 HH21 ARG 7 43.497 31.358 42.549 55 HH22 ARG 7 HH22 ARG 7 44.733 30.293 41.921 56 H ARG 8 H ARG 8 37.621 29.637 48.254 57 HA ARG 8 HA ARG 8 35.261 28.511 47.145 58 HB2 ARG 8 HB2 ARG 8 35.553 29.175 49.480 59 HB3 ARG 8 HB3 ARG 8 35.738 30.845 49.025 60 HG2 ARG 8 HG2 ARG 8 33.580 30.136 50.107 61 HG3 ARG 8 HG3 ARG 8 33.489 31.211 48.707 62 HD2 ARG 8 HD2 ARG 8 31.665 29.654 48.793 63 HD3 ARG 8 HD3 ARG 8 32.608 29.337 47.346 64 HE ARG 8 HE ARG 8 33.493 27.685 49.584 65 HH11 ARG 8 HH11 ARG 8 30.509 28.004 47.698 66 HH12 ARG 8 HH12 ARG 8 30.265 26.275 47.794 67 HH21 ARG 8 HH21 ARG 8 33.252 25.496 49.105 68 HH22 ARG 8 HH22 ARG 8 31.699 24.930 48.663 69 H GLN 9 H GLN 9 36.816 31.537 46.273 70 HA GLN 9 HA GLN 9 34.786 31.921 44.172 71 HB2 GLN 9 HB2 GLN 9 35.786 34.150 45.986 72 HB3 GLN 9 HB3 GLN 9 34.772 34.333 44.554 73 HG2 GLN 9 HG2 GLN 9 33.901 32.805 47.036 74 HG3 GLN 9 HG3 GLN 9 33.625 34.509 46.719 75 HE21 GLN 9 HE22 GLN 9 31.322 33.520 47.031 76 HE22 GLN 9 HE21 GLN 9 30.490 33.087 45.552 77 H GLN 10 H GLN 10 35.478 33.474 42.549 78 HA GLN 10 HA GLN 10 37.578 32.178 41.298 79 HB2 GLN 10 HB2 GLN 10 36.444 34.885 40.479 80 HB3 GLN 10 HB3 GLN 10 37.357 33.778 39.458 81 HG2 GLN 10 HG2 GLN 10 35.578 32.181 39.433 82 HG3 GLN 10 HG3 GLN 10 34.774 32.947 40.812 83 HE21 GLN 10 HE22 GLN 10 32.768 33.244 39.635 84 HE22 GLN 10 HE21 GLN 10 32.665 34.439 38.341 85 H ALA 11 H ALA 11 37.728 35.677 42.118 86 HA ALA 11 HA ALA 11 40.427 35.391 43.137 87 HB1 ALA 11 HB1 ALA 11 39.737 37.087 40.691 88 HB2 ALA 11 HB2 ALA 11 41.269 37.207 41.615 89 HB3 ALA 11 HB3 ALA 11 40.835 35.717 40.763 90 H LEU 12 H LEU 12 41.021 37.664 44.088 91 HA LEU 12 HA LEU 12 39.164 38.404 46.114 92 HB2 LEU 12 HB2 LEU 12 41.491 40.007 45.094 93 HB3 LEU 12 HB3 LEU 12 40.772 40.130 46.671 94 HG LEU 12 HG LEU 12 42.159 37.569 45.708 95 HD11 LEU 12 HD11 LEU 12 43.665 39.617 45.827 96 HD12 LEU 12 HD12 LEU 12 43.390 39.590 47.590 97 HD13 LEU 12 HD13 LEU 12 44.129 38.201 46.780 98 HD21 LEU 12 HD21 LEU 12 40.850 36.896 47.540 99 HD22 LEU 12 HD22 LEU 12 42.407 37.258 48.256 100 HD23 LEU 12 HD23 LEU 12 41.097 38.441 48.404 101 H ALA 13 H ALA 13 37.582 39.984 46.319 102 HA ALA 13 HA ALA 13 37.273 42.013 44.154 103 HB1 ALA 13 HB1 ALA 13 34.878 40.528 45.245 104 HB2 ALA 13 HB2 ALA 13 35.039 41.534 43.789 105 HB3 ALA 13 HB3 ALA 13 35.811 39.949 43.844 106 H GLU 14 H GLU 14 37.988 41.835 47.190 107 HA GLU 14 HA GLU 14 36.765 44.441 47.917 108 HB2 GLU 14 HB2 GLU 14 36.230 43.518 50.178 109 HB3 GLU 14 HB3 GLU 14 35.297 42.812 48.878 110 HG2 GLU 14 HG2 GLU 14 37.811 41.546 50.104 111 HG3 GLU 14 HG3 GLU 14 36.199 41.218 50.697 112 H ALA 15 H ALA 15 39.637 43.057 47.447 113 HA ALA 15 HA ALA 15 40.869 43.519 50.065 114 HB1 ALA 15 HB1 ALA 15 41.234 41.415 48.809 115 HB2 ALA 15 HB2 ALA 15 41.950 42.322 47.459 116 HB3 ALA 15 HB3 ALA 15 42.760 42.326 49.034 117 H ASP 16 H ASP 16 40.593 45.081 47.064 118 HA ASP 16 HA ASP 16 42.837 46.941 47.653 119 HB2 ASP 16 HB2 ASP 16 43.102 47.336 45.310 120 HB3 ASP 16 HB3 ASP 16 43.184 45.612 45.653 121 H ARG 17 H ARG 17 42.620 49.045 47.164 122 HA ARG 17 HA ARG 17 39.982 50.218 46.656 123 HB2 ARG 17 HB2 ARG 17 41.698 50.895 49.114 124 HB3 ARG 17 HB3 ARG 17 40.403 51.925 48.558 125 HG2 ARG 17 HG2 ARG 17 38.822 49.878 48.853 126 HG3 ARG 17 HG3 ARG 17 40.233 49.033 49.516 127 HD2 ARG 17 HD2 ARG 17 40.297 50.743 51.356 128 HD3 ARG 17 HD3 ARG 17 38.781 51.407 50.704 129 HE ARG 17 HE ARG 17 37.579 49.634 51.596 130 HH11 ARG 17 HH11 ARG 17 41.029 48.695 51.851 131 HH12 ARG 17 HH12 ARG 17 40.576 47.121 52.388 132 HH21 ARG 17 HH21 ARG 17 37.243 47.751 52.503 133 HH22 ARG 17 HH22 ARG 17 38.618 46.710 52.927 134 H THR 18 H THR 18 43.031 49.973 45.915 135 HA THR 18 HA THR 18 43.240 52.639 44.637 136 HB THR 18 HB THR 18 45.721 51.236 45.692 137 HG1 THR 18 HG1 THR 18 45.595 52.540 47.469 138 HG21 THR 18 HG21 THR 18 44.979 54.154 45.331 139 HG22 THR 18 HG22 THR 18 46.554 53.541 45.873 140 HG23 THR 18 HG23 THR 18 46.004 53.190 44.223 141 H LEU 19 H LEU 19 44.055 52.782 42.754 142 HA LEU 19 HA LEU 19 44.310 50.319 41.231 143 HB2 LEU 19 HB2 LEU 19 42.481 52.129 40.961 144 HB3 LEU 19 HB3 LEU 19 43.764 53.218 40.435 145 HG LEU 19 HG LEU 19 44.241 51.850 38.511 146 HD11 LEU 19 HD11 LEU 19 43.642 49.584 39.503 147 HD12 LEU 19 HD12 LEU 19 41.938 50.034 39.423 148 HD13 LEU 19 HD13 LEU 19 42.910 49.869 37.936 149 HD21 LEU 19 HD21 LEU 19 42.100 52.293 37.367 150 HD22 LEU 19 HD22 LEU 19 41.275 52.379 38.967 151 HD23 LEU 19 HD23 LEU 19 42.457 53.606 38.518 152 H PHE 20 H PHE 20 46.038 49.859 39.819 153 HA PHE 20 HA PHE 20 48.441 51.505 40.229 154 HB2 PHE 20 HB2 PHE 20 48.546 48.986 40.263 155 HB3 PHE 20 HB3 PHE 20 48.143 49.002 38.548 156 HD1 PHE 20 HD1 PHE 20 49.797 50.121 36.898 157 HD2 PHE 20 HD2 PHE 20 50.725 49.456 41.065 158 HE1 PHE 20 HE1 PHE 20 52.178 50.373 36.403 159 HE2 PHE 20 HE2 PHE 20 53.129 49.795 40.569 160 HZ PHE 20 HZ PHE 20 53.867 50.285 38.246 161 H VAL 21 H VAL 21 49.269 52.921 38.840 162 HA VAL 21 HA VAL 21 48.470 52.815 35.986 163 HB VAL 21 HB VAL 21 48.974 55.446 37.430 164 HG11 VAL 21 HG11 VAL 21 47.774 54.829 34.684 165 HG12 VAL 21 HG12 VAL 21 47.961 56.430 35.404 166 HG13 VAL 21 HG13 VAL 21 49.389 55.477 34.961 167 HG21 VAL 21 HG21 VAL 21 46.254 54.475 36.500 168 HG22 VAL 21 HG22 VAL 21 46.744 54.393 38.200 169 HG23 VAL 21 HG23 VAL 21 46.663 55.958 37.426 170 H GLY 22 H GLY 22 50.128 52.614 34.753 171 HA2 GLY 22 HA2 GLY 22 52.831 53.582 35.602 172 HA3 GLY 22 HA3 GLY 22 52.644 52.059 34.770 173 H ASN 23 H ASN 23 54.234 53.369 33.485 174 HA ASN 23 HA ASN 23 54.896 54.399 31.634 175 HB2 ASN 23 HB2 ASN 23 52.713 52.967 30.893 176 HB3 ASN 23 HB3 ASN 23 52.120 54.601 30.550 177 HD21 ASN 23 HD21 ASN 23 52.190 54.704 28.401 178 HD22 ASN 23 HD22 ASN 23 53.552 54.230 27.390 179 H LEU 24 H LEU 24 54.068 55.960 33.896 180 HA LEU 24 HA LEU 24 52.910 58.480 33.207 181 HB2 LEU 24 HB2 LEU 24 54.949 57.714 35.348 182 HB3 LEU 24 HB3 LEU 24 54.191 59.256 35.171 183 HG LEU 24 HG LEU 24 53.341 57.350 36.867 184 HD11 LEU 24 HD11 LEU 24 51.668 59.286 35.331 185 HD12 LEU 24 HD12 LEU 24 51.084 58.397 36.782 186 HD13 LEU 24 HD13 LEU 24 52.434 59.497 36.953 187 HD21 LEU 24 HD21 LEU 24 52.559 55.652 35.219 188 HD22 LEU 24 HD22 LEU 24 51.172 56.338 36.078 189 HD23 LEU 24 HD23 LEU 24 51.520 56.854 34.434 190 H GLU 25 H GLU 25 54.185 60.556 33.143 191 HA GLU 25 HA GLU 25 56.480 60.227 31.367 192 HB2 GLU 25 HB2 GLU 25 54.542 62.243 31.698 193 HB3 GLU 25 HB3 GLU 25 56.021 63.047 32.184 194 HG2 GLU 25 HG2 GLU 25 55.943 61.481 29.615 195 HG3 GLU 25 HG3 GLU 25 55.146 63.051 29.705 196 H THR 26 H THR 26 58.205 62.009 31.585 197 HA THR 26 HA THR 26 59.956 61.213 33.780 198 HB THR 26 HB THR 26 61.686 62.406 32.655 199 HG1 THR 26 HG1 THR 26 59.708 63.513 31.081 200 HG21 THR 26 HG21 THR 26 60.239 61.558 30.126 201 HG22 THR 26 HG22 THR 26 61.923 61.396 30.628 202 HG23 THR 26 HG23 THR 26 60.687 60.307 31.298 203 H LYS 27 H LYS 27 57.888 63.889 32.947 204 HA LYS 27 HA LYS 27 58.454 65.206 35.569 205 HB2 LYS 27 HB2 LYS 27 59.210 66.316 33.365 206 HB3 LYS 27 HB3 LYS 27 57.509 66.587 33.049 207 HG2 LYS 27 HG2 LYS 27 58.057 68.574 33.992 208 HG3 LYS 27 HG3 LYS 27 57.547 67.727 35.455 209 HD2 LYS 27 HD2 LYS 27 60.346 68.466 34.575 210 HD3 LYS 27 HD3 LYS 27 59.461 68.908 36.036 211 HE2 LYS 27 HE2 LYS 27 59.593 66.506 36.760 212 HE3 LYS 27 HE3 LYS 27 60.628 66.202 35.356 213 HZ1 LYS 27 HZ1 LYS 27 62.243 67.687 36.212 214 HZ2 LYS 27 HZ2 LYS 27 61.272 68.352 37.292 215 HZ3 LYS 27 HZ3 LYS 27 61.835 66.805 37.468 216 H VAL 28 H VAL 28 56.269 63.099 35.187 217 HA VAL 28 HA VAL 28 53.764 64.514 35.297 218 HB VAL 28 HB VAL 28 54.162 62.041 34.759 219 HG11 VAL 28 HG11 VAL 28 54.171 60.500 36.828 220 HG12 VAL 28 HG12 VAL 28 55.651 61.435 36.528 221 HG13 VAL 28 HG13 VAL 28 54.516 61.924 37.790 222 HG21 VAL 28 HG21 VAL 28 51.889 63.163 35.419 223 HG22 VAL 28 HG22 VAL 28 52.021 61.406 35.316 224 HG23 VAL 28 HG23 VAL 28 52.049 62.202 36.901 225 H THR 29 H THR 29 52.184 64.335 37.157 226 HA THR 29 HA THR 29 53.266 64.361 39.853 227 HB THR 29 HB THR 29 52.070 66.657 40.248 228 HG1 THR 29 HG1 THR 29 52.360 67.884 38.334 229 HG21 THR 29 HG21 THR 29 54.624 66.886 38.597 230 HG22 THR 29 HG22 THR 29 54.041 67.940 39.889 231 HG23 THR 29 HG23 THR 29 54.600 66.298 40.275 232 H GLU 30 H GLU 30 51.425 65.069 41.412 233 HA GLU 30 HA GLU 30 49.239 63.233 40.897 234 HB2 GLU 30 HB2 GLU 30 49.457 65.165 43.273 235 HB3 GLU 30 HB3 GLU 30 48.449 63.731 43.141 236 HG2 GLU 30 HG2 GLU 30 50.467 62.332 42.935 237 HG3 GLU 30 HG3 GLU 30 51.472 63.774 43.190 238 H GLU 31 H GLU 31 49.759 66.679 40.699 239 HA GLU 31 HA GLU 31 47.013 67.495 40.457 240 HB2 GLU 31 HB2 GLU 31 49.404 68.659 38.973 241 HB3 GLU 31 HB3 GLU 31 47.831 69.415 39.261 242 HG2 GLU 31 HG2 GLU 31 48.335 69.359 41.734 243 HG3 GLU 31 HG3 GLU 31 49.927 68.725 41.344 244 H LEU 32 H LEU 32 49.419 66.282 38.067 245 HA LEU 32 HA LEU 32 47.806 66.777 35.787 246 HB2 LEU 32 HB2 LEU 32 50.225 66.609 35.774 247 HB3 LEU 32 HB3 LEU 32 50.201 64.981 36.375 248 HG LEU 32 HG LEU 32 50.831 65.255 34.030 249 HD11 LEU 32 HD11 LEU 32 48.323 63.542 33.990 250 HD12 LEU 32 HD12 LEU 32 49.842 63.307 33.135 251 HD13 LEU 32 HD13 LEU 32 49.780 63.055 34.881 252 HD21 LEU 32 HD21 LEU 32 49.375 67.072 33.400 253 HD22 LEU 32 HD22 LEU 32 49.251 65.721 32.256 254 HD23 LEU 32 HD23 LEU 32 47.950 66.016 33.419 255 H LEU 33 H LEU 33 48.431 63.827 37.677 256 HA LEU 33 HA LEU 33 46.682 62.003 36.368 257 HB2 LEU 33 HB2 LEU 33 47.501 62.385 39.246 258 HB3 LEU 33 HB3 LEU 33 46.762 60.891 38.627 259 HG LEU 33 HG LEU 33 49.463 62.070 37.756 260 HD11 LEU 33 HD11 LEU 33 49.026 59.534 39.343 261 HD12 LEU 33 HD12 LEU 33 50.539 60.155 38.630 262 HD13 LEU 33 HD13 LEU 33 49.768 61.062 39.927 263 HD21 LEU 33 HD21 LEU 33 49.861 60.124 36.485 264 HD22 LEU 33 HD22 LEU 33 48.222 59.484 36.840 265 HD23 LEU 33 HD23 LEU 33 48.476 60.992 35.887 266 H PHE 34 H PHE 34 45.976 64.241 39.191 267 HA PHE 34 HA PHE 34 43.326 63.393 39.450 268 HB2 PHE 34 HB2 PHE 34 44.638 64.909 41.036 269 HB3 PHE 34 HB3 PHE 34 44.363 66.209 39.892 270 HD1 PHE 34 HD1 PHE 34 42.146 67.108 39.439 271 HD2 PHE 34 HD2 PHE 34 42.748 64.238 42.574 272 HE1 PHE 34 HE1 PHE 34 39.978 67.801 40.487 273 HE2 PHE 34 HE2 PHE 34 40.478 64.796 43.497 274 HZ PHE 34 HZ PHE 34 39.158 66.618 42.511 275 H GLU 35 H GLU 35 44.683 65.824 37.179 276 HA GLU 35 HA GLU 35 41.986 66.646 36.348 277 HB2 GLU 35 HB2 GLU 35 42.920 68.201 34.830 278 HB3 GLU 35 HB3 GLU 35 43.798 68.356 36.339 279 HG2 GLU 35 HG2 GLU 35 45.762 67.539 35.455 280 HG3 GLU 35 HG3 GLU 35 44.951 66.763 34.069 281 H LEU 36 H LEU 36 44.400 64.379 35.239 282 HA LEU 36 HA LEU 36 43.186 63.674 32.762 283 HB2 LEU 36 HB2 LEU 36 45.551 63.206 33.369 284 HB3 LEU 36 HB3 LEU 36 45.048 62.173 34.681 285 HG LEU 36 HG LEU 36 43.854 61.256 32.128 286 HD11 LEU 36 HD11 LEU 36 46.861 61.304 32.502 287 HD12 LEU 36 HD12 LEU 36 45.974 60.238 31.366 288 HD13 LEU 36 HD13 LEU 36 45.951 62.000 31.130 289 HD21 LEU 36 HD21 LEU 36 44.782 59.122 32.903 290 HD22 LEU 36 HD22 LEU 36 45.692 59.959 34.181 291 HD23 LEU 36 HD23 LEU 36 43.910 59.931 34.217 292 H PHE 37 H PHE 37 42.810 62.350 36.049 293 HA PHE 37 HA PHE 37 40.885 60.301 35.158 294 HB2 PHE 37 HB2 PHE 37 41.984 60.991 37.877 295 HB3 PHE 37 HB3 PHE 37 40.861 59.678 37.503 296 HD1 PHE 37 HD2 PHE 37 41.525 58.183 35.451 297 HD2 PHE 37 HD1 PHE 37 44.296 60.294 37.958 298 HE1 PHE 37 HE2 PHE 37 43.344 56.490 34.918 299 HE2 PHE 37 HE1 PHE 37 46.139 58.841 37.164 300 HZ PHE 37 HZ PHE 37 45.620 56.881 35.686 301 H HIS 38 H HIS 38 40.388 63.596 35.527 302 HA HIS 38 HA HIS 38 38.205 63.620 37.378 303 HB2 HIS 38 HB2 HIS 38 39.634 65.543 36.312 304 HB3 HIS 38 HB3 HIS 38 38.385 65.567 35.072 305 HD2 HIS 38 HD2 HIS 38 35.732 66.023 36.291 306 HE1 HIS 38 HE1 HIS 38 37.523 68.560 39.193 307 HE2 HIS 38 HE2 HIS 38 35.318 67.791 38.177 308 H GLN 39 H GLN 39 38.188 63.225 33.805 309 HA GLN 39 HA GLN 39 35.407 62.682 33.663 310 HB2 GLN 39 HB2 GLN 39 37.744 62.085 31.836 311 HB3 GLN 39 HB3 GLN 39 36.085 61.736 31.376 312 HG2 GLN 39 HG2 GLN 39 35.397 63.986 31.444 313 HG3 GLN 39 HG3 GLN 39 36.856 64.530 32.267 314 HE21 GLN 39 HE22 GLN 39 38.980 64.277 30.990 315 HE22 GLN 39 HE21 GLN 39 38.851 64.570 29.266 316 H ALA 40 H ALA 40 37.888 60.556 34.873 317 HA ALA 40 HA ALA 40 36.790 58.058 33.744 318 HB1 ALA 40 HB1 ALA 40 39.198 58.321 34.121 319 HB2 ALA 40 HB2 ALA 40 38.894 58.566 35.873 320 HB3 ALA 40 HB3 ALA 40 38.551 57.006 35.108 321 H GLY 41 H GLY 41 36.431 60.109 36.395 322 HA2 GLY 41 HA2 GLY 41 34.033 59.618 37.420 323 HA3 GLY 41 HA3 GLY 41 34.933 58.328 38.226 324 HA PRO 42 HA PRO 42 35.441 62.140 40.899 325 HB2 PRO 42 HB2 PRO 42 33.902 61.570 42.966 326 HB3 PRO 42 HB3 PRO 42 33.219 62.168 41.424 327 HG2 PRO 42 HG2 PRO 42 33.257 59.320 42.442 328 HG3 PRO 42 HG3 PRO 42 31.932 60.161 41.595 329 HD2 PRO 42 HD2 PRO 42 33.788 58.494 40.393 330 HD3 PRO 42 HD3 PRO 42 32.824 59.746 39.537 331 H VAL 43 H VAL 43 37.607 60.967 40.713 332 HA VAL 43 HA VAL 43 38.556 59.026 42.497 333 HB VAL 43 HB VAL 43 40.784 60.077 42.318 334 HG11 VAL 43 HG11 VAL 43 39.288 59.628 39.715 335 HG12 VAL 43 HG12 VAL 43 41.042 59.875 39.861 336 HG13 VAL 43 HG13 VAL 43 40.290 58.487 40.649 337 HG21 VAL 43 HG21 VAL 43 39.459 62.207 40.630 338 HG22 VAL 43 HG22 VAL 43 40.207 62.428 42.240 339 HG23 VAL 43 HG23 VAL 43 41.202 61.952 40.864 340 H ILE 44 H ILE 44 39.394 58.895 44.449 341 HA ILE 44 HA ILE 44 38.419 60.674 46.561 342 HB ILE 44 HB ILE 44 40.091 58.138 46.662 343 HG12 ILE 44 HG12 ILE 44 37.113 58.664 47.059 344 HG13 ILE 44 HG13 ILE 44 37.827 57.942 45.612 345 HG21 ILE 44 HG21 ILE 44 38.692 59.579 48.967 346 HG22 ILE 44 HG22 ILE 44 39.532 58.018 49.032 347 HG23 ILE 44 HG23 ILE 44 40.439 59.486 48.692 348 HD11 ILE 44 HD11 ILE 44 37.600 56.646 48.305 349 HD12 ILE 44 HD12 ILE 44 36.781 56.281 46.760 350 HD13 ILE 44 HD13 ILE 44 38.511 55.965 46.914 351 H LYS 45 H LYS 45 41.556 59.307 45.628 352 HA LYS 45 HA LYS 45 42.898 61.867 45.756 353 HB2 LYS 45 HB2 LYS 45 44.453 61.462 47.389 354 HB3 LYS 45 HB3 LYS 45 42.902 61.132 48.133 355 HG2 LYS 45 HG2 LYS 45 44.297 58.706 47.070 356 HG3 LYS 45 HG3 LYS 45 45.249 59.596 48.210 357 HD2 LYS 45 HD2 LYS 45 42.503 58.412 48.817 358 HD3 LYS 45 HD3 LYS 45 44.050 57.825 49.381 359 HE2 LYS 45 HE2 LYS 45 43.091 60.622 50.042 360 HE3 LYS 45 HE3 LYS 45 42.637 59.226 50.999 361 HZ1 LYS 45 HZ1 LYS 45 44.603 60.320 51.866 362 HZ2 LYS 45 HZ2 LYS 45 44.943 58.803 51.472 363 HZ3 LYS 45 HZ3 LYS 45 45.461 60.032 50.519 364 H VAL 46 H VAL 46 45.126 61.775 45.123 365 HA VAL 46 HA VAL 46 45.932 59.441 43.449 366 HB VAL 46 HB VAL 46 46.514 62.427 43.301 367 HG11 VAL 46 HG11 VAL 46 47.702 61.828 41.140 368 HG12 VAL 46 HG12 VAL 46 48.502 61.266 42.598 369 HG13 VAL 46 HG13 VAL 46 47.541 60.116 41.619 370 HG21 VAL 46 HG21 VAL 46 44.326 62.033 42.472 371 HG22 VAL 46 HG22 VAL 46 45.412 62.275 41.106 372 HG23 VAL 46 HG23 VAL 46 44.836 60.625 41.534 373 H LYS 47 H LYS 47 48.199 58.801 43.445 374 HA LYS 47 HA LYS 47 50.024 60.031 45.416 375 HB2 LYS 47 HB2 LYS 47 49.466 58.151 46.628 376 HB3 LYS 47 HB3 LYS 47 49.240 57.134 45.216 377 HG2 LYS 47 HG2 LYS 47 51.158 56.263 46.209 378 HG3 LYS 47 HG3 LYS 47 51.777 57.157 44.851 379 HD2 LYS 47 HD2 LYS 47 52.340 59.085 46.402 380 HD3 LYS 47 HD3 LYS 47 51.770 58.096 47.731 381 HE2 LYS 47 HE2 LYS 47 53.472 56.273 46.690 382 HE3 LYS 47 HE3 LYS 47 54.167 57.606 45.853 383 HZ1 LYS 47 HZ1 LYS 47 55.211 57.101 47.983 384 HZ2 LYS 47 HZ2 LYS 47 54.656 58.659 47.965 385 HZ3 LYS 47 HZ3 LYS 47 53.845 57.494 48.778 386 H ILE 48 H ILE 48 51.722 60.727 44.549 387 HA ILE 48 HA ILE 48 52.971 59.473 42.175 388 HB ILE 48 HB ILE 48 53.017 62.210 43.344 389 HG12 ILE 48 HG12 ILE 48 51.595 61.339 41.418 390 HG13 ILE 48 HG13 ILE 48 52.530 62.824 41.135 391 HG21 ILE 48 HG21 ILE 48 55.312 61.156 41.697 392 HG22 ILE 48 HG22 ILE 48 54.946 62.878 42.011 393 HG23 ILE 48 HG23 ILE 48 55.381 61.803 43.346 394 HD11 ILE 48 HD11 ILE 48 53.090 60.013 40.067 395 HD12 ILE 48 HD12 ILE 48 52.611 61.441 39.137 396 HD13 ILE 48 HD13 ILE 48 54.216 61.375 39.866 397 HA PRO 49 HA PRO 49 56.192 58.009 45.112 398 HB2 PRO 49 HB2 PRO 49 57.620 56.670 43.206 399 HB3 PRO 49 HB3 PRO 49 56.241 55.935 44.064 400 HG2 PRO 49 HG2 PRO 49 56.343 57.218 41.334 401 HG3 PRO 49 HG3 PRO 49 55.417 55.743 41.832 402 HD2 PRO 49 HD2 PRO 49 54.341 58.222 41.468 403 HD3 PRO 49 HD3 PRO 49 53.649 57.094 42.649 404 H LYS 50 H LYS 50 58.602 58.320 44.950 405 HA LYS 50 HA LYS 50 59.839 59.864 42.883 406 HB2 LYS 50 HB2 LYS 50 59.105 61.233 45.465 407 HB3 LYS 50 HB3 LYS 50 60.640 61.624 44.689 408 HG2 LYS 50 HG2 LYS 50 58.954 61.772 42.521 409 HG3 LYS 50 HG3 LYS 50 57.854 62.200 43.833 410 HD2 LYS 50 HD2 LYS 50 59.387 64.002 44.541 411 HD3 LYS 50 HD3 LYS 50 60.486 63.614 43.174 412 HE2 LYS 50 HE2 LYS 50 58.861 64.067 41.567 413 HE3 LYS 50 HE3 LYS 50 57.580 64.166 42.747 414 HZ1 LYS 50 HZ1 LYS 50 59.804 66.144 42.457 415 HZ2 LYS 50 HZ2 LYS 50 58.251 66.453 42.169 416 HZ3 LYS 50 HZ3 LYS 50 58.754 66.181 43.685 417 H ASP 51 H ASP 51 61.484 58.665 42.695 418 HA ASP 51 HA ASP 51 63.070 57.068 44.442 419 HB2 ASP 51 HB2 ASP 51 63.041 57.111 41.938 420 HB3 ASP 51 HB3 ASP 51 63.777 58.710 41.997 421 H LYS 52 H LYS 52 65.459 57.550 44.973 422 HA LYS 52 HA LYS 52 65.817 59.786 46.629 423 HB2 LYS 52 HB2 LYS 52 68.241 59.427 46.325 424 HB3 LYS 52 HB3 LYS 52 67.341 57.969 46.783 425 HG2 LYS 52 HG2 LYS 52 68.491 56.982 45.107 426 HG3 LYS 52 HG3 LYS 52 67.309 57.734 44.050 427 HD2 LYS 52 HD2 LYS 52 68.854 59.704 43.732 428 HD3 LYS 52 HD3 LYS 52 70.064 58.865 44.692 429 HE2 LYS 52 HE2 LYS 52 69.768 56.838 43.140 430 HE3 LYS 52 HE3 LYS 52 68.550 57.763 42.260 431 HZ1 LYS 52 HZ1 LYS 52 70.678 57.902 41.148 432 HZ2 LYS 52 HZ2 LYS 52 70.239 59.344 41.702 433 HZ3 LYS 52 HZ3 LYS 52 71.382 58.534 42.508 434 H ASP 53 H ASP 53 66.369 59.433 43.156 435 HA ASP 53 HA ASP 53 67.535 61.947 42.455 436 HB2 ASP 53 HB2 ASP 53 67.220 59.631 41.226 437 HB3 ASP 53 HB3 ASP 53 65.678 60.322 40.717 438 H GLY 54 H GLY 54 64.335 61.238 43.521 439 HA2 GLY 54 HA2 GLY 54 62.458 62.508 43.641 440 HA3 GLY 54 HA3 GLY 54 63.319 63.864 42.861 441 H LYS 55 H LYS 55 62.400 60.511 41.868 442 HA LYS 55 HA LYS 55 60.998 61.689 39.558 443 HB2 LYS 55 HB2 LYS 55 63.310 61.079 38.880 444 HB3 LYS 55 HB3 LYS 55 62.985 59.395 39.330 445 HG2 LYS 55 HG2 LYS 55 62.656 59.412 36.931 446 HG3 LYS 55 HG3 LYS 55 61.059 59.476 37.553 447 HD2 LYS 55 HD2 LYS 55 61.055 61.139 35.912 448 HD3 LYS 55 HD3 LYS 55 61.219 62.069 37.377 449 HE2 LYS 55 HE2 LYS 55 63.836 61.756 36.945 450 HE3 LYS 55 HE3 LYS 55 63.328 61.551 35.279 451 HZ1 LYS 55 HZ1 LYS 55 63.829 63.882 36.139 452 HZ2 LYS 55 HZ2 LYS 55 62.486 63.746 35.257 453 HZ3 LYS 55 HZ3 LYS 55 62.405 63.859 36.879 454 HA PRO 56 HA PRO 56 58.099 58.719 40.954 455 HB2 PRO 56 HB2 PRO 56 56.232 59.014 38.981 456 HB3 PRO 56 HB3 PRO 56 56.468 60.198 40.361 457 HG2 PRO 56 HG2 PRO 56 57.389 60.210 37.552 458 HG3 PRO 56 HG3 PRO 56 56.793 61.638 38.528 459 HD2 PRO 56 HD2 PRO 56 59.492 61.235 38.153 460 HD3 PRO 56 HD3 PRO 56 58.781 61.902 39.656 461 H LYS 57 H LYS 57 60.291 57.876 38.832 462 HA LYS 57 HA LYS 57 60.775 55.853 37.688 463 HB2 LYS 57 HB2 LYS 57 58.708 54.745 39.612 464 HB3 LYS 57 HB3 LYS 57 60.030 53.874 38.876 465 HG2 LYS 57 HG2 LYS 57 61.153 54.276 40.774 466 HG3 LYS 57 HG3 LYS 57 61.377 55.933 40.202 467 HD2 LYS 57 HD2 LYS 57 59.355 56.671 41.393 468 HD3 LYS 57 HD3 LYS 57 58.963 54.997 41.834 469 HE2 LYS 57 HE2 LYS 57 61.545 56.351 42.615 470 HE3 LYS 57 HE3 LYS 57 60.043 56.514 43.562 471 HZ1 LYS 57 HZ1 LYS 57 61.242 54.768 44.473 472 HZ2 LYS 57 HZ2 LYS 57 60.034 54.069 43.687 473 HZ3 LYS 57 HZ3 LYS 57 61.564 54.035 43.048 474 H GLN 58 H GLN 58 58.579 57.332 36.428 475 HA GLN 58 HA GLN 58 56.885 57.244 34.974 476 HB2 GLN 58 HB2 GLN 58 58.340 54.734 34.203 477 HB3 GLN 58 HB3 GLN 58 56.934 55.326 33.308 478 HG2 GLN 58 HG2 GLN 58 58.304 57.578 33.130 479 HG3 GLN 58 HG3 GLN 58 59.694 56.556 33.474 480 HE21 GLN 58 HE21 GLN 58 56.900 56.875 31.235 481 HE22 GLN 58 HE22 GLN 58 57.592 55.877 29.958 482 H PHE 59 H PHE 59 56.062 56.365 37.536 483 HA PHE 59 HA PHE 59 53.632 54.920 36.798 484 HB2 PHE 59 HB2 PHE 59 53.761 52.991 37.835 485 HB3 PHE 59 HB3 PHE 59 55.425 53.163 37.324 486 HD1 PHE 59 HD1 PHE 59 53.110 53.166 40.190 487 HD2 PHE 59 HD2 PHE 59 57.194 53.327 38.881 488 HE1 PHE 59 HE1 PHE 59 53.853 52.766 42.516 489 HE2 PHE 59 HE2 PHE 59 57.967 52.945 41.220 490 HZ PHE 59 HZ PHE 59 56.302 52.851 43.066 491 H ALA 60 H ALA 60 51.953 54.987 38.523 492 HA ALA 60 HA ALA 60 52.411 56.551 40.946 493 HB1 ALA 60 HB1 ALA 60 52.033 58.247 39.114 494 HB2 ALA 60 HB2 ALA 60 50.387 57.576 38.933 495 HB3 ALA 60 HB3 ALA 60 50.907 58.329 40.459 496 H PHE 61 H PHE 61 50.066 56.739 42.169 497 HA PHE 61 HA PHE 61 48.335 54.408 41.498 498 HB2 PHE 61 HB2 PHE 61 49.677 55.180 44.071 499 HB3 PHE 61 HB3 PHE 61 48.041 54.541 44.158 500 HD1 PHE 61 HD1 PHE 61 47.543 52.289 42.956 501 HD2 PHE 61 HD2 PHE 61 51.435 53.607 44.255 502 HE1 PHE 61 HE1 PHE 61 48.268 49.935 43.193 503 HE2 PHE 61 HE2 PHE 61 52.219 51.253 44.273 504 HZ PHE 61 HZ PHE 61 50.626 49.412 43.794 505 H VAL 62 H VAL 62 46.160 54.581 42.077 506 HA VAL 62 HA VAL 62 45.148 57.297 42.758 507 HB VAL 62 HB VAL 62 44.267 55.646 40.350 508 HG11 VAL 62 HG11 VAL 62 42.283 56.620 41.019 509 HG12 VAL 62 HG12 VAL 62 43.075 58.078 41.678 510 HG13 VAL 62 HG13 VAL 62 42.887 57.870 39.933 511 HG21 VAL 62 HG21 VAL 62 46.415 57.097 40.052 512 HG22 VAL 62 HG22 VAL 62 45.091 57.181 38.902 513 HG23 VAL 62 HG23 VAL 62 45.281 58.470 40.119 514 H ASN 63 H ASN 63 43.536 57.293 44.206 515 HA ASN 63 HA ASN 63 42.402 54.729 45.130 516 HB2 ASN 63 HB2 ASN 63 43.602 56.508 46.675 517 HB3 ASN 63 HB3 ASN 63 42.195 57.489 46.417 518 HD21 ASN 63 HD22 ASN 63 43.357 54.354 47.678 519 HD22 ASN 63 HD21 ASN 63 42.045 54.206 48.843 520 H PHE 64 H PHE 64 40.152 54.292 45.032 521 HA PHE 64 HA PHE 64 38.223 56.182 43.922 522 HB2 PHE 64 HB2 PHE 64 37.904 55.152 41.838 523 HB3 PHE 64 HB3 PHE 64 39.603 55.500 41.921 524 HD1 PHE 64 HD2 PHE 64 40.621 52.987 43.459 525 HD2 PHE 64 HD1 PHE 64 37.687 53.459 40.313 526 HE1 PHE 64 HE2 PHE 64 40.763 50.597 42.954 527 HE2 PHE 64 HE1 PHE 64 37.802 51.045 39.855 528 HZ PHE 64 HZ PHE 64 39.343 49.589 41.181 529 H LYS 65 H LYS 65 36.074 55.212 43.651 530 HA LYS 65 HA LYS 65 35.573 52.729 45.195 531 HB2 LYS 65 HB2 LYS 65 33.766 53.561 46.375 532 HB3 LYS 65 HB3 LYS 65 35.197 54.525 46.763 533 HG2 LYS 65 HG2 LYS 65 34.347 56.387 45.453 534 HG3 LYS 65 HG3 LYS 65 32.933 55.448 44.913 535 HD2 LYS 65 HD2 LYS 65 33.465 55.860 47.863 536 HD3 LYS 65 HD3 LYS 65 32.685 57.080 46.824 537 HE2 LYS 65 HE2 LYS 65 31.006 55.406 46.139 538 HE3 LYS 65 HE3 LYS 65 31.628 54.240 47.306 539 HZ1 LYS 65 HZ1 LYS 65 29.835 55.553 48.232 540 HZ2 LYS 65 HZ2 LYS 65 31.249 55.902 49.030 541 HZ3 LYS 65 HZ3 LYS 65 30.657 56.916 47.941 542 H HIS 66 H HIS 66 34.194 51.482 44.442 543 HA HIS 66 HA HIS 66 31.920 52.099 42.776 544 HB2 HIS 66 HB2 HIS 66 32.518 50.746 40.924 545 HB3 HIS 66 HB3 HIS 66 33.806 51.936 41.081 546 HD2 HIS 66 HD2 HIS 66 36.083 50.735 42.689 547 HE1 HIS 66 HE1 HIS 66 35.162 46.820 41.319 548 HE2 HIS 66 HE2 HIS 66 36.874 48.251 42.535 549 H GLU 67 H GLU 67 30.811 49.755 42.350 550 HA GLU 67 HA GLU 67 31.837 47.729 44.259 551 HB2 GLU 67 HB2 GLU 67 29.809 48.871 45.196 552 HB3 GLU 67 HB3 GLU 67 28.885 48.249 43.833 553 HG2 GLU 67 HG2 GLU 67 29.744 45.888 44.643 554 HG3 GLU 67 HG3 GLU 67 30.133 46.703 46.134 555 H VAL 68 H VAL 68 32.298 45.922 43.259 556 HA VAL 68 HA VAL 68 32.756 44.435 41.725 557 HB VAL 68 HB VAL 68 31.052 42.912 41.118 558 HG11 VAL 68 HG11 VAL 68 30.462 44.002 43.879 559 HG12 VAL 68 HG12 VAL 68 30.253 42.351 43.266 560 HG13 VAL 68 HG13 VAL 68 31.884 43.015 43.421 561 HG21 VAL 68 HG21 VAL 68 29.001 45.018 41.924 562 HG22 VAL 68 HG22 VAL 68 29.163 44.205 40.349 563 HG23 VAL 68 HG23 VAL 68 28.676 43.279 41.768 564 H SER 69 H SER 69 33.080 46.974 40.496 565 HA SER 69 HA SER 69 32.303 46.395 37.696 566 HB2 SER 69 HB2 SER 69 31.634 48.516 37.237 567 HB3 SER 69 HB3 SER 69 31.050 48.354 38.899 568 HG SER 69 HG SER 69 33.045 49.523 39.436 569 H VAL 70 H VAL 70 33.413 47.658 35.948 570 HA VAL 70 HA VAL 70 36.216 47.057 36.132 571 HB VAL 70 HB VAL 70 36.523 48.343 34.002 572 HG11 VAL 70 HG11 VAL 70 34.674 45.956 33.791 573 HG12 VAL 70 HG12 VAL 70 35.785 46.622 32.573 574 HG13 VAL 70 HG13 VAL 70 36.451 45.958 34.052 575 HG21 VAL 70 HG21 VAL 70 34.589 49.785 33.984 576 HG22 VAL 70 HG22 VAL 70 34.733 48.798 32.531 577 HG23 VAL 70 HG23 VAL 70 33.513 48.365 33.739 578 HA PRO 71 HA PRO 71 37.834 51.153 37.293 579 HB2 PRO 71 HB2 PRO 71 40.417 50.946 36.576 580 HB3 PRO 71 HB3 PRO 71 39.706 49.915 37.855 581 HG2 PRO 71 HG2 PRO 71 40.198 49.218 34.951 582 HG3 PRO 71 HG3 PRO 71 40.656 48.256 36.380 583 HD2 PRO 71 HD2 PRO 71 38.360 47.890 34.914 584 HD3 PRO 71 HD3 PRO 71 38.496 47.445 36.636 585 H TYR 72 H TYR 72 36.692 52.612 36.065 586 HA TYR 72 HA TYR 72 36.168 52.464 33.312 587 HB2 TYR 72 HB2 TYR 72 34.914 53.538 35.186 588 HB3 TYR 72 HB3 TYR 72 36.046 54.878 35.118 589 HD1 TYR 72 HD1 TYR 72 36.036 56.366 33.103 590 HD2 TYR 72 HD2 TYR 72 33.207 53.161 33.539 591 HE1 TYR 72 HE1 TYR 72 34.667 57.355 31.299 592 HE2 TYR 72 HE2 TYR 72 31.902 54.046 31.583 593 HH TYR 72 HH TYR 72 32.857 57.008 29.902 594 H ALA 73 H ALA 73 38.812 54.238 34.905 595 HA ALA 73 HA ALA 73 39.676 55.841 32.692 596 HB1 ALA 73 HB1 ALA 73 41.235 54.659 35.029 597 HB2 ALA 73 HB2 ALA 73 41.964 55.582 33.720 598 HB3 ALA 73 HB3 ALA 73 40.752 56.363 34.730 599 H MET 74 H MET 74 39.921 52.387 33.207 600 HA MET 74 HA MET 74 42.349 52.125 31.638 601 HB2 MET 74 HB2 MET 74 41.819 50.720 33.684 602 HB3 MET 74 HB3 MET 74 40.603 49.863 32.737 603 HG2 MET 74 HG2 MET 74 42.228 48.948 31.263 604 HG3 MET 74 HG3 MET 74 43.452 50.121 31.752 605 HE1 MET 74 HE1 MET 74 41.821 46.714 32.224 606 HE2 MET 74 HE2 MET 74 42.441 46.149 33.784 607 HE3 MET 74 HE3 MET 74 41.180 47.424 33.722 608 H ASN 75 H ASN 75 39.042 52.202 30.917 609 HA ASN 75 HA ASN 75 39.626 51.495 28.082 610 HB2 ASN 75 HB2 ASN 75 37.725 50.351 29.130 611 HB3 ASN 75 HB3 ASN 75 37.053 51.880 29.649 612 HD21 ASN 75 HD22 ASN 75 35.883 53.116 28.178 613 HD22 ASN 75 HD21 ASN 75 35.556 52.603 26.528 614 H LEU 76 H LEU 76 38.989 54.225 30.225 615 HA LEU 76 HA LEU 76 37.930 56.014 28.197 616 HB2 LEU 76 HB2 LEU 76 37.324 56.064 30.631 617 HB3 LEU 76 HB3 LEU 76 38.941 56.605 31.011 618 HG LEU 76 HG LEU 76 38.504 58.568 29.322 619 HD11 LEU 76 HD11 LEU 76 36.637 58.060 28.116 620 HD12 LEU 76 HD12 LEU 76 35.794 57.281 29.476 621 HD13 LEU 76 HD13 LEU 76 35.917 59.059 29.390 622 HD21 LEU 76 HD21 LEU 76 37.600 59.987 30.844 623 HD22 LEU 76 HD22 LEU 76 36.645 58.750 31.677 624 HD23 LEU 76 HD23 LEU 76 38.432 58.810 31.869 625 H LEU 77 H LEU 77 41.007 55.786 29.940 626 HA LEU 77 HA LEU 77 42.323 57.682 28.077 627 HB2 LEU 77 HB2 LEU 77 43.252 56.732 30.832 628 HB3 LEU 77 HB3 LEU 77 44.016 57.938 29.836 629 HG LEU 77 HG LEU 77 43.132 59.154 31.494 630 HD11 LEU 77 HD11 LEU 77 40.801 59.428 29.549 631 HD12 LEU 77 HD12 LEU 77 41.339 60.556 30.793 632 HD13 LEU 77 HD13 LEU 77 42.398 60.226 29.432 633 HD21 LEU 77 HD21 LEU 77 40.932 59.017 32.498 634 HD22 LEU 77 HD22 LEU 77 40.602 57.537 31.550 635 HD23 LEU 77 HD23 LEU 77 41.954 57.614 32.738 636 H ASN 78 H ASN 78 44.163 55.380 29.918 637 HA ASN 78 HA ASN 78 45.824 54.031 29.183 638 HB2 ASN 78 HB2 ASN 78 43.869 52.841 29.951 639 HB3 ASN 78 HB3 ASN 78 43.277 52.660 28.281 640 HD21 ASN 78 HD22 ASN 78 45.048 51.569 26.841 641 HD22 ASN 78 HD21 ASN 78 45.931 50.232 27.605 642 H GLY 79 H GLY 79 46.757 55.545 27.698 643 HA2 GLY 79 HA2 GLY 79 47.979 54.879 25.484 644 HA3 GLY 79 HA3 GLY 79 46.350 54.899 24.807 645 H ILE 80 H ILE 80 47.007 57.345 27.211 646 HA ILE 80 HA ILE 80 46.967 59.418 25.052 647 HB ILE 80 HB ILE 80 45.208 60.616 26.144 648 HG12 ILE 80 HG12 ILE 80 44.035 59.028 28.023 649 HG13 ILE 80 HG13 ILE 80 45.803 58.739 28.313 650 HG21 ILE 80 HG21 ILE 80 44.325 57.718 25.911 651 HG22 ILE 80 HG22 ILE 80 43.339 59.177 25.769 652 HG23 ILE 80 HG23 ILE 80 44.597 58.861 24.550 653 HD11 ILE 80 HD11 ILE 80 46.130 61.078 28.744 654 HD12 ILE 80 HD12 ILE 80 44.514 61.467 28.090 655 HD13 ILE 80 HD13 ILE 80 44.659 60.583 29.627 656 H LYS 81 H LYS 81 47.689 61.457 25.655 657 HA LYS 81 HA LYS 81 48.715 62.098 28.264 658 HB2 LYS 81 HB2 LYS 81 51.186 62.336 27.442 659 HB3 LYS 81 HB3 LYS 81 50.530 60.830 27.971 660 HG2 LYS 81 HG2 LYS 81 51.855 60.457 25.959 661 HG3 LYS 81 HG3 LYS 81 50.149 60.113 25.665 662 HD2 LYS 81 HD2 LYS 81 49.917 62.262 24.444 663 HD3 LYS 81 HD3 LYS 81 51.620 62.643 24.821 664 HE2 LYS 81 HE2 LYS 81 52.343 60.610 23.645 665 HE3 LYS 81 HE3 LYS 81 50.697 60.057 23.480 666 HZ1 LYS 81 HZ1 LYS 81 51.593 61.069 21.404 667 HZ2 LYS 81 HZ2 LYS 81 50.206 61.705 21.882 668 HZ3 LYS 81 HZ3 LYS 81 51.605 62.521 22.135 669 H LEU 82 H LEU 82 49.976 64.141 28.159 670 HA LEU 82 HA LEU 82 49.602 65.774 25.688 671 HB2 LEU 82 HB2 LEU 82 48.222 66.726 27.500 672 HB3 LEU 82 HB3 LEU 82 49.606 66.727 28.586 673 HG LEU 82 HG LEU 82 50.766 68.369 27.084 674 HD11 LEU 82 HD11 LEU 82 48.112 68.423 25.595 675 HD12 LEU 82 HD12 LEU 82 49.509 69.491 25.300 676 HD13 LEU 82 HD13 LEU 82 49.649 67.774 24.975 677 HD21 LEU 82 HD21 LEU 82 49.266 68.997 29.076 678 HD22 LEU 82 HD22 LEU 82 49.801 70.237 27.943 679 HD23 LEU 82 HD23 LEU 82 48.140 69.638 27.854 680 H TYR 83 H TYR 83 51.776 64.952 28.379 681 HA TYR 83 HA TYR 83 53.858 66.727 27.501 682 HB2 TYR 83 HB2 TYR 83 53.634 64.476 29.510 683 HB3 TYR 83 HB3 TYR 83 55.109 65.404 29.339 684 HD1 TYR 83 HD1 TYR 83 52.889 68.033 29.029 685 HD2 TYR 83 HD2 TYR 83 53.742 64.876 31.802 686 HE1 TYR 83 HE1 TYR 83 51.950 69.405 30.851 687 HE2 TYR 83 HE2 TYR 83 52.867 66.281 33.688 688 HH TYR 83 HH TYR 83 51.502 69.487 33.122 689 H GLY 84 H GLY 84 53.463 63.176 27.214 690 HA2 GLY 84 HA2 GLY 84 54.644 62.978 24.719 691 HA3 GLY 84 HA3 GLY 84 56.024 62.880 25.809 692 H ARG 85 H ARG 85 54.939 61.352 27.883 693 HA ARG 85 HA ARG 85 54.756 58.663 26.597 694 HB2 ARG 85 HB2 ARG 85 55.547 59.460 29.415 695 HB3 ARG 85 HB3 ARG 85 55.224 57.820 28.923 696 HG2 ARG 85 HG2 ARG 85 57.471 57.768 28.417 697 HG3 ARG 85 HG3 ARG 85 56.929 58.455 26.907 698 HD2 ARG 85 HD2 ARG 85 57.308 60.775 27.999 699 HD3 ARG 85 HD3 ARG 85 58.125 59.892 29.297 700 HE ARG 85 HE ARG 85 59.625 58.942 27.424 701 HH11 ARG 85 HH11 ARG 85 58.379 62.275 27.289 702 HH12 ARG 85 HH12 ARG 85 59.332 62.608 25.862 703 HH21 ARG 85 HH21 ARG 85 61.040 59.694 25.869 704 HH22 ARG 85 HH22 ARG 85 60.970 61.345 25.340 705 HA PRO 86 HA PRO 86 50.398 58.917 27.516 706 HB2 PRO 86 HB2 PRO 86 49.638 56.495 26.509 707 HB3 PRO 86 HB3 PRO 86 50.055 57.928 25.500 708 HG2 PRO 86 HG2 PRO 86 51.893 55.595 26.188 709 HG3 PRO 86 HG3 PRO 86 51.570 56.359 24.589 710 HD2 PRO 86 HD2 PRO 86 53.720 57.051 26.052 711 HD3 PRO 86 HD3 PRO 86 52.767 58.295 25.200 712 H ILE 87 H ILE 87 49.102 58.459 29.183 713 HA ILE 87 HA ILE 87 50.032 56.815 31.339 714 HB ILE 87 HB ILE 87 47.466 58.285 30.676 715 HG12 ILE 87 HG12 ILE 87 49.266 59.691 31.466 716 HG13 ILE 87 HG13 ILE 87 48.016 59.618 32.712 717 HG21 ILE 87 HG21 ILE 87 47.832 56.596 33.169 718 HG22 ILE 87 HG22 ILE 87 46.467 57.710 32.846 719 HG23 ILE 87 HG23 ILE 87 46.684 56.283 31.850 720 HD11 ILE 87 HD11 ILE 87 49.380 58.007 34.001 721 HD12 ILE 87 HD12 ILE 87 50.667 58.160 32.773 722 HD13 ILE 87 HD13 ILE 87 50.167 59.574 33.719 723 H LYS 88 H LYS 88 49.740 54.882 31.861 724 HA LYS 88 HA LYS 88 47.866 53.156 30.374 725 HB2 LYS 88 HB2 LYS 88 50.288 52.893 29.774 726 HB3 LYS 88 HB3 LYS 88 50.678 52.565 31.472 727 HG2 LYS 88 HG2 LYS 88 50.603 50.637 29.934 728 HG3 LYS 88 HG3 LYS 88 49.584 50.472 31.399 729 HD2 LYS 88 HD2 LYS 88 47.620 50.945 30.214 730 HD3 LYS 88 HD3 LYS 88 48.489 51.454 28.741 731 HE2 LYS 88 HE2 LYS 88 49.032 48.756 29.929 732 HE3 LYS 88 HE3 LYS 88 47.484 48.916 29.105 733 HZ1 LYS 88 HZ1 LYS 88 48.597 49.363 27.078 734 HZ2 LYS 88 HZ2 LYS 88 50.065 49.572 27.804 735 HZ3 LYS 88 HZ3 LYS 88 49.420 48.113 27.735 736 H ILE 89 H ILE 89 46.272 52.590 31.623 737 HA ILE 89 HA ILE 89 46.574 52.390 34.574 738 HB ILE 89 HB ILE 89 44.040 52.067 32.948 739 HG12 ILE 89 HG12 ILE 89 43.665 54.346 34.377 740 HG13 ILE 89 HG13 ILE 89 45.397 54.427 34.317 741 HG21 ILE 89 HG21 ILE 89 44.436 52.395 35.949 742 HG22 ILE 89 HG22 ILE 89 42.888 52.363 35.084 743 HG23 ILE 89 HG23 ILE 89 43.887 50.923 35.106 744 HD11 ILE 89 HD11 ILE 89 43.569 54.512 31.863 745 HD12 ILE 89 HD12 ILE 89 44.474 55.830 32.639 746 HD13 ILE 89 HD13 ILE 89 45.327 54.523 31.801 747 H GLN 90 H GLN 90 46.382 50.412 35.686 748 HA GLN 90 HA GLN 90 46.043 47.911 34.158 749 HB2 GLN 90 HB2 GLN 90 48.364 48.431 36.005 750 HB3 GLN 90 HB3 GLN 90 48.000 46.941 35.120 751 HG2 GLN 90 HG2 GLN 90 48.461 48.163 32.954 752 HG3 GLN 90 HG3 GLN 90 48.815 49.618 33.903 753 HE21 GLN 90 HE22 GLN 90 50.815 48.248 32.098 754 HE22 GLN 90 HE21 GLN 90 52.009 47.592 33.219 755 H PHE 91 H PHE 91 45.676 46.200 35.445 756 HA PHE 91 HA PHE 91 43.864 46.833 37.665 757 HB2 PHE 91 HB2 PHE 91 43.051 45.333 35.972 758 HB3 PHE 91 HB3 PHE 91 44.473 44.299 36.105 759 HD1 PHE 91 HD2 PHE 91 41.518 45.623 37.874 760 HD2 PHE 91 HD1 PHE 91 44.347 42.383 37.741 761 HE1 PHE 91 HE2 PHE 91 40.070 44.289 39.395 762 HE2 PHE 91 HE1 PHE 91 42.775 40.972 39.054 763 HZ PHE 91 HZ PHE 91 40.622 41.915 39.847 764 H ARG 92 H ARG 92 43.955 45.818 39.704 765 HA ARG 92 HA ARG 92 46.672 45.728 40.794 766 HB2 ARG 92 HB2 ARG 92 44.765 47.301 41.602 767 HB3 ARG 92 HB3 ARG 92 44.009 45.871 42.255 768 HG2 ARG 92 HG2 ARG 92 44.991 46.701 44.081 769 HG3 ARG 92 HG3 ARG 92 46.196 45.512 43.643 770 HD2 ARG 92 HD2 ARG 92 46.461 48.370 42.673 771 HD3 ARG 92 HD3 ARG 92 46.819 47.986 44.356 772 HE ARG 92 HE ARG 92 48.358 46.951 41.974 773 HH11 ARG 92 HH11 ARG 92 48.447 47.896 45.401 774 HH12 ARG 92 HH12 ARG 92 50.024 47.156 45.544 775 HH21 ARG 92 HH21 ARG 92 50.178 45.936 42.395 776 HH22 ARG 92 HH22 ARG 92 50.895 46.007 44.002 777 H SER 93 H SER 93 46.486 43.441 39.581 778 HA SER 93 HA SER 93 45.351 41.380 41.334 779 HB2 SER 93 HB2 SER 93 46.853 39.917 39.612 780 HB3 SER 93 HB3 SER 93 45.180 40.393 39.380 781 HG SER 93 HG SER 93 46.331 40.899 37.614 782 H GLY 94 H GLY 94 47.032 39.353 41.553 783 HA2 GLY 94 HA2 GLY 94 49.734 40.064 42.270 784 HA3 GLY 94 HA3 GLY 94 48.696 39.868 43.695 785 H SER 95 H SER 95 50.502 38.293 43.975 786 HA SER 95 HA SER 95 50.518 35.779 42.631 787 HB2 SER 95 HB2 SER 95 51.483 35.014 44.963 788 HB3 SER 95 HB3 SER 95 52.396 36.009 43.820 789 HG SER 95 HG SER 95 52.474 36.759 45.915 790 H SER 96 H SER 96 49.337 33.935 42.988 791 HA SER 96 HA SER 96 46.651 34.132 43.561 792 HB2 SER 96 HB2 SER 96 47.999 31.490 43.861 793 HB3 SER 96 HB3 SER 96 46.421 31.941 43.176 794 HG SER 96 HG SER 96 47.401 31.980 41.367 795 H HIS 97 H HIS 97 45.264 33.727 45.142 796 HA HIS 97 HA HIS 97 46.148 33.739 47.916 797 HB2 HIS 97 HB2 HIS 97 43.810 34.133 48.396 798 HB3 HIS 97 HB3 HIS 97 44.361 35.240 47.142 799 HD2 HIS 97 HD2 HIS 97 41.381 34.257 47.925 800 HE1 HIS 97 HE1 HIS 97 41.301 32.712 43.966 801 HE2 HIS 97 HE2 HIS 97 39.884 33.439 45.941 802 H ALA 98 H ALA 98 44.830 32.266 49.552 803 HA ALA 98 HA ALA 98 45.017 29.434 48.590 804 HB1 ALA 98 HB1 ALA 98 45.727 30.749 51.250 805 HB2 ALA 98 HB2 ALA 98 45.909 29.029 50.890 806 HB3 ALA 98 HB3 ALA 98 46.905 30.225 50.028 807 HA PRO 99 HA PRO 99 40.967 28.989 50.445 808 HB2 PRO 99 HB2 PRO 99 41.055 26.436 51.566 809 HB3 PRO 99 HB3 PRO 99 40.710 26.776 49.846 810 HG2 PRO 99 HG2 PRO 99 43.309 26.068 51.231 811 HG3 PRO 99 HG3 PRO 99 42.710 25.387 49.683 812 HD2 PRO 99 HD2 PRO 99 44.619 27.317 49.758 813 HD3 PRO 99 HD3 PRO 99 43.368 27.347 48.495 814 H GLN 100 H GLN 100 39.962 29.081 52.513 815 HA GLN 100 HA GLN 100 41.581 29.946 54.767 816 HB2 GLN 100 HB2 GLN 100 38.612 29.238 54.585 817 HB3 GLN 100 HB3 GLN 100 39.425 30.053 55.912 818 HG2 GLN 100 HG2 GLN 100 38.396 31.778 54.895 819 HG3 GLN 100 HG3 GLN 100 40.036 31.902 54.260 820 HE21 GLN 100 HE22 GLN 100 39.011 33.251 52.440 821 HE22 GLN 100 HE21 GLN 100 38.052 32.451 51.240 822 H ASP 101 H ASP 101 40.046 27.012 53.782 823 HA ASP 101 HA ASP 101 41.278 25.362 55.873 824 HB2 ASP 101 HB2 ASP 101 39.339 26.023 57.058 825 HB3 ASP 101 HB3 ASP 101 38.289 25.825 55.670 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 51.162 28.704 38.743 2 H2 GLY 1 H2 GLY 1 49.918 29.766 38.499 3 H3 GLY 1 H3 GLY 1 51.281 30.251 39.252 4 HA2 GLY 1 HA2 GLY 1 51.375 29.257 36.510 5 HA3 GLY 1 HA3 GLY 1 51.020 30.951 36.890 6 H SER 2 H SER 2 53.502 29.577 35.663 7 HA SER 2 HA SER 2 55.528 30.900 37.419 8 HB2 SER 2 HB2 SER 2 55.987 28.410 35.740 9 HB3 SER 2 HB3 SER 2 57.173 29.276 36.740 10 HG SER 2 HG SER 2 56.232 28.488 38.496 11 H GLU 3 H GLU 3 53.915 31.513 34.732 12 HA GLU 3 HA GLU 3 55.693 31.810 32.585 13 HB2 GLU 3 HB2 GLU 3 53.295 33.413 33.468 14 HB3 GLU 3 HB3 GLU 3 54.186 33.799 31.989 15 HG2 GLU 3 HG2 GLU 3 53.747 31.583 31.075 16 HG3 GLU 3 HG3 GLU 3 52.958 31.081 32.562 17 H PHE 4 H PHE 4 57.375 33.323 32.117 18 HA PHE 4 HA PHE 4 58.618 34.577 34.273 19 HB2 PHE 4 HB2 PHE 4 59.470 33.979 31.813 20 HB3 PHE 4 HB3 PHE 4 59.227 35.708 31.573 21 HD1 PHE 4 HD2 PHE 4 60.850 33.151 33.617 22 HD2 PHE 4 HD1 PHE 4 60.818 37.307 32.572 23 HE1 PHE 4 HE2 PHE 4 63.184 33.388 34.520 24 HE2 PHE 4 HE1 PHE 4 63.101 37.571 33.504 25 HZ PHE 4 HZ PHE 4 64.273 35.615 34.518 26 H GLU 5 H GLU 5 56.523 36.018 31.859 27 HA GLU 5 HA GLU 5 56.809 38.793 32.591 28 HB2 GLU 5 HB2 GLU 5 55.209 39.243 30.924 29 HB3 GLU 5 HB3 GLU 5 56.211 37.936 30.321 30 HG2 GLU 5 HG2 GLU 5 54.435 36.351 31.387 31 HG3 GLU 5 HG3 GLU 5 53.426 37.790 31.525 32 H LEU 6 H LEU 6 55.317 36.462 34.507 33 HA LEU 6 HA LEU 6 53.001 38.052 35.398 34 HB2 LEU 6 HB2 LEU 6 54.355 35.508 36.306 35 HB3 LEU 6 HB3 LEU 6 53.138 36.315 37.305 36 HG LEU 6 HG LEU 6 52.565 35.264 34.516 37 HD11 LEU 6 HD11 LEU 6 52.223 33.916 37.255 38 HD12 LEU 6 HD12 LEU 6 51.546 33.299 35.737 39 HD13 LEU 6 HD13 LEU 6 53.303 33.428 35.955 40 HD21 LEU 6 HD21 LEU 6 50.189 35.328 35.329 41 HD22 LEU 6 HD22 LEU 6 50.744 36.158 36.793 42 HD23 LEU 6 HD23 LEU 6 50.942 36.913 35.192 43 H ARG 7 H ARG 7 52.966 39.395 37.176 44 HA ARG 7 HA ARG 7 55.511 40.208 38.354 45 HB2 ARG 7 HB2 ARG 7 52.712 41.232 38.868 46 HB3 ARG 7 HB3 ARG 7 54.209 41.800 39.632 47 HG2 ARG 7 HG2 ARG 7 54.057 43.359 38.010 48 HG3 ARG 7 HG3 ARG 7 55.021 42.131 37.134 49 HD2 ARG 7 HD2 ARG 7 53.040 41.293 36.042 50 HD3 ARG 7 HD3 ARG 7 51.991 42.375 36.949 51 HE ARG 7 HE ARG 7 53.747 43.045 34.671 52 HH11 ARG 7 HH11 ARG 7 51.725 44.292 37.250 53 HH12 ARG 7 HH12 ARG 7 51.360 45.776 36.353 54 HH21 ARG 7 HH21 ARG 7 53.199 45.070 33.662 55 HH22 ARG 7 HH22 ARG 7 52.074 46.146 34.484 56 H ARG 8 H ARG 8 56.256 38.782 39.657 57 HA ARG 8 HA ARG 8 54.747 37.671 41.986 58 HB2 ARG 8 HB2 ARG 8 56.535 36.334 39.957 59 HB3 ARG 8 HB3 ARG 8 56.386 35.690 41.604 60 HG2 ARG 8 HG2 ARG 8 53.819 35.664 41.135 61 HG3 ARG 8 HG3 ARG 8 54.257 35.924 39.438 62 HD2 ARG 8 HD2 ARG 8 55.034 33.511 41.102 63 HD3 ARG 8 HD3 ARG 8 53.777 33.586 39.863 64 HE ARG 8 HE ARG 8 55.891 34.394 38.394 65 HH11 ARG 8 HH11 ARG 8 55.605 31.703 40.586 66 HH12 ARG 8 HH12 ARG 8 57.122 30.989 40.019 67 HH21 ARG 8 HH21 ARG 8 57.681 33.380 37.661 68 HH22 ARG 8 HH22 ARG 8 58.145 31.818 38.307 69 H GLN 9 H GLN 9 55.667 39.574 43.133 70 HA GLN 9 HA GLN 9 58.655 39.707 43.300 71 HB2 GLN 9 HB2 GLN 9 57.355 41.285 41.617 72 HB3 GLN 9 HB3 GLN 9 57.020 42.205 43.106 73 HG2 GLN 9 HG2 GLN 9 58.922 43.062 41.791 74 HG3 GLN 9 HG3 GLN 9 59.302 42.687 43.474 75 HE21 GLN 9 HE22 GLN 9 59.743 41.821 40.086 76 HE22 GLN 9 HE21 GLN 9 61.063 40.709 40.305 77 H GLN 10 H GLN 10 59.559 40.770 45.099 78 HA GLN 10 HA GLN 10 58.380 40.787 47.647 79 HB2 GLN 10 HB2 GLN 10 60.287 42.243 48.245 80 HB3 GLN 10 HB3 GLN 10 60.785 40.835 47.329 81 HG2 GLN 10 HG2 GLN 10 61.476 42.061 45.495 82 HG3 GLN 10 HG3 GLN 10 60.237 43.268 45.653 83 HE21 GLN 10 HE22 GLN 10 63.472 42.292 46.938 84 HE22 GLN 10 HE21 GLN 10 63.826 43.896 47.509 85 H ALA 11 H ALA 11 58.098 43.403 45.233 86 HA ALA 11 HA ALA 11 56.385 44.891 47.131 87 HB1 ALA 11 HB1 ALA 11 58.676 46.233 45.663 88 HB2 ALA 11 HB2 ALA 11 57.650 46.927 46.930 89 HB3 ALA 11 HB3 ALA 11 58.790 45.647 47.352 90 H LEU 12 H LEU 12 55.269 46.724 46.115 91 HA LEU 12 HA LEU 12 53.476 47.193 44.951 92 HB2 LEU 12 HB2 LEU 12 55.527 47.344 42.725 93 HB3 LEU 12 HB3 LEU 12 53.959 48.129 42.672 94 HG LEU 12 HG LEU 12 55.961 48.803 44.850 95 HD11 LEU 12 HD11 LEU 12 55.579 50.209 42.156 96 HD12 LEU 12 HD12 LEU 12 56.469 50.875 43.534 97 HD13 LEU 12 HD13 LEU 12 57.039 49.408 42.755 98 HD21 LEU 12 HD21 LEU 12 54.476 50.799 45.089 99 HD22 LEU 12 HD22 LEU 12 53.378 50.089 43.883 100 HD23 LEU 12 HD23 LEU 12 53.698 49.254 45.416 101 H ALA 13 H ALA 13 54.542 44.138 44.256 102 HA ALA 13 HA ALA 13 52.708 43.572 42.081 103 HB1 ALA 13 HB1 ALA 13 53.616 41.387 42.097 104 HB2 ALA 13 HB2 ALA 13 54.950 42.528 42.382 105 HB3 ALA 13 HB3 ALA 13 54.253 41.578 43.740 106 H GLU 14 H GLU 14 52.079 43.909 45.276 107 HA GLU 14 HA GLU 14 49.788 42.035 45.449 108 HB2 GLU 14 HB2 GLU 14 51.757 42.379 47.115 109 HB3 GLU 14 HB3 GLU 14 50.904 43.850 47.593 110 HG2 GLU 14 HG2 GLU 14 49.105 42.611 48.449 111 HG3 GLU 14 HG3 GLU 14 49.557 41.141 47.554 112 H ALA 15 H ALA 15 47.732 42.913 46.289 113 HA ALA 15 HA ALA 15 47.113 45.413 44.787 114 HB1 ALA 15 HB1 ALA 15 45.125 44.360 44.031 115 HB2 ALA 15 HB2 ALA 15 46.468 43.243 43.739 116 HB3 ALA 15 HB3 ALA 15 45.367 42.947 45.094 117 H ASP 16 H ASP 16 45.040 46.356 45.125 118 HA ASP 16 HA ASP 16 43.941 46.504 47.811 119 HB2 ASP 16 HB2 ASP 16 46.050 47.910 47.881 120 HB3 ASP 16 HB3 ASP 16 45.416 48.854 46.530 121 H ARG 17 H ARG 17 42.316 48.286 47.822 122 HA ARG 17 HA ARG 17 40.464 48.588 45.640 123 HB2 ARG 17 HB2 ARG 17 41.188 50.148 48.167 124 HB3 ARG 17 HB3 ARG 17 39.938 50.727 47.084 125 HG2 ARG 17 HG2 ARG 17 38.622 48.675 47.428 126 HG3 ARG 17 HG3 ARG 17 39.891 47.976 48.430 127 HD2 ARG 17 HD2 ARG 17 39.605 49.676 50.133 128 HD3 ARG 17 HD3 ARG 17 38.369 50.521 49.205 129 HE ARG 17 HE ARG 17 38.055 48.234 50.879 130 HH11 ARG 17 HH11 ARG 17 36.648 49.552 47.859 131 HH12 ARG 17 HH12 ARG 17 35.265 48.487 48.054 132 HH21 ARG 17 HH21 ARG 17 36.202 47.402 51.115 133 HH22 ARG 17 HH22 ARG 17 34.935 47.370 49.912 134 H THR 18 H THR 18 43.407 50.376 46.535 135 HA THR 18 HA THR 18 43.045 52.571 44.711 136 HB THR 18 HB THR 18 45.738 51.510 45.673 137 HG1 THR 18 HG1 THR 18 44.705 52.001 47.456 138 HG21 THR 18 HG21 THR 18 45.084 54.436 45.229 139 HG22 THR 18 HG22 THR 18 46.632 53.672 45.538 140 HG23 THR 18 HG23 THR 18 45.844 53.446 43.962 141 H LEU 19 H LEU 19 43.903 52.962 42.763 142 HA LEU 19 HA LEU 19 44.078 50.605 41.044 143 HB2 LEU 19 HB2 LEU 19 42.542 52.802 40.930 144 HB3 LEU 19 HB3 LEU 19 43.916 53.460 40.073 145 HG LEU 19 HG LEU 19 42.242 51.009 39.344 146 HD11 LEU 19 HD11 LEU 19 41.589 53.623 39.073 147 HD12 LEU 19 HD12 LEU 19 42.500 53.396 37.567 148 HD13 LEU 19 HD13 LEU 19 41.075 52.374 37.965 149 HD21 LEU 19 HD21 LEU 19 44.479 50.539 38.538 150 HD22 LEU 19 HD22 LEU 19 43.484 51.038 37.181 151 HD23 LEU 19 HD23 LEU 19 44.651 52.187 37.903 152 H PHE 20 H PHE 20 45.986 50.058 39.947 153 HA PHE 20 HA PHE 20 48.418 51.665 40.369 154 HB2 PHE 20 HB2 PHE 20 48.274 49.038 40.326 155 HB3 PHE 20 HB3 PHE 20 48.081 49.213 38.603 156 HD1 PHE 20 HD1 PHE 20 49.913 50.529 37.266 157 HD2 PHE 20 HD2 PHE 20 50.579 48.894 41.198 158 HE1 PHE 20 HE1 PHE 20 52.347 50.950 37.035 159 HE2 PHE 20 HE2 PHE 20 53.047 49.177 40.864 160 HZ PHE 20 HZ PHE 20 53.907 50.234 38.814 161 H VAL 21 H VAL 21 49.274 53.076 39.033 162 HA VAL 21 HA VAL 21 48.384 53.083 36.196 163 HB VAL 21 HB VAL 21 48.857 55.611 37.801 164 HG11 VAL 21 HG11 VAL 21 47.636 55.042 35.060 165 HG12 VAL 21 HG12 VAL 21 48.019 56.647 35.734 166 HG13 VAL 21 HG13 VAL 21 49.318 55.537 35.280 167 HG21 VAL 21 HG21 VAL 21 46.772 54.568 38.617 168 HG22 VAL 21 HG22 VAL 21 46.360 55.911 37.555 169 HG23 VAL 21 HG23 VAL 21 46.262 54.225 36.964 170 H GLY 22 H GLY 22 50.052 53.035 34.797 171 HA2 GLY 22 HA2 GLY 22 52.736 53.926 35.697 172 HA3 GLY 22 HA3 GLY 22 52.575 52.359 34.972 173 H ASN 23 H ASN 23 54.210 53.534 33.660 174 HA ASN 23 HA ASN 23 55.004 54.422 31.744 175 HB2 ASN 23 HB2 ASN 23 52.913 53.093 30.864 176 HB3 ASN 23 HB3 ASN 23 52.229 54.722 30.636 177 HD21 ASN 23 HD21 ASN 23 52.183 54.776 28.391 178 HD22 ASN 23 HD22 ASN 23 53.619 54.519 27.387 179 H LEU 24 H LEU 24 54.467 56.122 33.852 180 HA LEU 24 HA LEU 24 53.093 58.568 33.088 181 HB2 LEU 24 HB2 LEU 24 55.111 57.966 35.257 182 HB3 LEU 24 HB3 LEU 24 54.260 59.479 35.044 183 HG LEU 24 HG LEU 24 53.563 57.571 36.822 184 HD11 LEU 24 HD11 LEU 24 51.554 59.288 35.379 185 HD12 LEU 24 HD12 LEU 24 51.297 58.426 36.923 186 HD13 LEU 24 HD13 LEU 24 52.511 59.697 36.847 187 HD21 LEU 24 HD21 LEU 24 53.007 55.886 35.104 188 HD22 LEU 24 HD22 LEU 24 51.606 56.265 36.110 189 HD23 LEU 24 HD23 LEU 24 51.715 56.945 34.476 190 H GLU 25 H GLU 25 53.959 60.578 32.682 191 HA GLU 25 HA GLU 25 56.418 60.543 31.220 192 HB2 GLU 25 HB2 GLU 25 54.292 62.439 31.556 193 HB3 GLU 25 HB3 GLU 25 55.760 63.282 32.041 194 HG2 GLU 25 HG2 GLU 25 55.663 61.571 29.549 195 HG3 GLU 25 HG3 GLU 25 54.980 63.163 29.489 196 H THR 26 H THR 26 58.133 62.036 31.513 197 HA THR 26 HA THR 26 59.687 61.251 33.824 198 HB THR 26 HB THR 26 61.538 62.203 32.658 199 HG1 THR 26 HG1 THR 26 59.606 63.483 31.081 200 HG21 THR 26 HG21 THR 26 60.501 60.203 31.413 201 HG22 THR 26 HG22 THR 26 59.883 61.391 30.239 202 HG23 THR 26 HG23 THR 26 61.622 61.300 30.546 203 H LYS 27 H LYS 27 57.553 63.701 33.117 204 HA LYS 27 HA LYS 27 58.414 65.348 35.439 205 HB2 LYS 27 HB2 LYS 27 57.356 66.576 32.861 206 HB3 LYS 27 HB3 LYS 27 57.783 67.438 34.318 207 HG2 LYS 27 HG2 LYS 27 59.748 65.903 32.566 208 HG3 LYS 27 HG3 LYS 27 59.469 67.644 32.565 209 HD2 LYS 27 HD2 LYS 27 60.429 66.301 35.112 210 HD3 LYS 27 HD3 LYS 27 61.513 66.830 33.795 211 HE2 LYS 27 HE2 LYS 27 60.668 69.049 33.892 212 HE3 LYS 27 HE3 LYS 27 59.433 68.616 35.077 213 HZ1 LYS 27 HZ1 LYS 27 61.422 69.564 36.091 214 HZ2 LYS 27 HZ2 LYS 27 61.235 68.041 36.636 215 HZ3 LYS 27 HZ3 LYS 27 62.348 68.362 35.513 216 H VAL 28 H VAL 28 56.173 63.249 34.916 217 HA VAL 28 HA VAL 28 53.664 64.514 35.167 218 HB VAL 28 HB VAL 28 54.263 62.127 34.657 219 HG11 VAL 28 HG11 VAL 28 54.657 60.553 36.633 220 HG12 VAL 28 HG12 VAL 28 55.860 61.800 36.397 221 HG13 VAL 28 HG13 VAL 28 54.650 61.975 37.673 222 HG21 VAL 28 HG21 VAL 28 51.916 63.186 35.457 223 HG22 VAL 28 HG22 VAL 28 52.133 61.554 34.902 224 HG23 VAL 28 HG23 VAL 28 52.082 61.889 36.654 225 H THR 29 H THR 29 52.196 64.447 37.057 226 HA THR 29 HA THR 29 53.240 64.824 39.712 227 HB THR 29 HB THR 29 52.110 67.172 39.819 228 HG1 THR 29 HG1 THR 29 52.567 68.307 37.913 229 HG21 THR 29 HG21 THR 29 54.763 67.248 38.406 230 HG22 THR 29 HG22 THR 29 54.159 68.185 39.807 231 HG23 THR 29 HG23 THR 29 54.615 66.491 40.010 232 H GLU 30 H GLU 30 51.373 65.310 41.195 233 HA GLU 30 HA GLU 30 49.186 63.544 40.676 234 HB2 GLU 30 HB2 GLU 30 49.683 65.619 42.852 235 HB3 GLU 30 HB3 GLU 30 48.414 64.384 42.903 236 HG2 GLU 30 HG2 GLU 30 50.303 62.636 42.810 237 HG3 GLU 30 HG3 GLU 30 51.422 63.952 42.861 238 H GLU 31 H GLU 31 49.604 66.998 40.319 239 HA GLU 31 HA GLU 31 46.868 67.744 39.870 240 HB2 GLU 31 HB2 GLU 31 49.500 68.885 38.848 241 HB3 GLU 31 HB3 GLU 31 47.941 69.674 38.624 242 HG2 GLU 31 HG2 GLU 31 47.664 69.849 41.085 243 HG3 GLU 31 HG3 GLU 31 49.177 68.995 41.322 244 H LEU 32 H LEU 32 49.301 66.333 37.627 245 HA LEU 32 HA LEU 32 47.591 66.788 35.292 246 HB2 LEU 32 HB2 LEU 32 50.143 66.666 35.092 247 HB3 LEU 32 HB3 LEU 32 50.058 64.972 35.595 248 HG LEU 32 HG LEU 32 48.673 64.483 33.537 249 HD11 LEU 32 HD11 LEU 32 49.568 67.270 32.680 250 HD12 LEU 32 HD12 LEU 32 48.627 66.060 31.753 251 HD13 LEU 32 HD13 LEU 32 47.930 66.847 33.179 252 HD21 LEU 32 HD21 LEU 32 51.554 65.214 33.636 253 HD22 LEU 32 HD22 LEU 32 50.721 63.702 33.199 254 HD23 LEU 32 HD23 LEU 32 50.833 65.030 32.026 255 H LEU 33 H LEU 33 48.426 64.117 37.447 256 HA LEU 33 HA LEU 33 46.888 62.112 36.108 257 HB2 LEU 33 HB2 LEU 33 47.776 62.695 38.906 258 HB3 LEU 33 HB3 LEU 33 46.930 61.162 38.557 259 HG LEU 33 HG LEU 33 49.591 62.116 37.489 260 HD11 LEU 33 HD11 LEU 33 49.053 59.962 39.514 261 HD12 LEU 33 HD12 LEU 33 50.579 60.163 38.612 262 HD13 LEU 33 HD13 LEU 33 49.993 61.478 39.651 263 HD21 LEU 33 HD21 LEU 33 48.771 59.305 36.950 264 HD22 LEU 33 HD22 LEU 33 48.186 60.596 35.875 265 HD23 LEU 33 HD23 LEU 33 49.910 60.453 36.140 266 H PHE 34 H PHE 34 46.007 64.401 38.816 267 HA PHE 34 HA PHE 34 43.420 63.321 39.086 268 HB2 PHE 34 HB2 PHE 34 44.646 64.990 40.651 269 HB3 PHE 34 HB3 PHE 34 43.998 66.259 39.635 270 HD1 PHE 34 HD1 PHE 34 41.359 66.421 39.502 271 HD2 PHE 34 HD2 PHE 34 43.494 64.032 42.359 272 HE1 PHE 34 HE1 PHE 34 39.268 66.127 40.834 273 HE2 PHE 34 HE2 PHE 34 41.383 63.614 43.606 274 HZ PHE 34 HZ PHE 34 39.265 64.653 42.832 275 H GLU 35 H GLU 35 44.460 66.014 36.909 276 HA GLU 35 HA GLU 35 41.752 66.560 36.073 277 HB2 GLU 35 HB2 GLU 35 42.603 68.030 34.468 278 HB3 GLU 35 HB3 GLU 35 43.550 68.192 35.953 279 HG2 GLU 35 HG2 GLU 35 45.429 67.024 34.936 280 HG3 GLU 35 HG3 GLU 35 44.486 66.709 33.473 281 H LEU 36 H LEU 36 44.152 64.272 34.925 282 HA LEU 36 HA LEU 36 42.636 63.416 32.621 283 HB2 LEU 36 HB2 LEU 36 44.960 63.247 32.622 284 HB3 LEU 36 HB3 LEU 36 45.049 62.423 34.177 285 HG LEU 36 HG LEU 36 43.516 61.066 31.984 286 HD11 LEU 36 HD11 LEU 36 46.498 61.518 32.127 287 HD12 LEU 36 HD12 LEU 36 45.788 60.095 31.288 288 HD13 LEU 36 HD13 LEU 36 45.402 61.771 30.759 289 HD21 LEU 36 HD21 LEU 36 44.531 59.040 33.014 290 HD22 LEU 36 HD22 LEU 36 45.640 60.053 33.955 291 HD23 LEU 36 HD23 LEU 36 43.911 60.033 34.337 292 H PHE 37 H PHE 37 42.978 62.214 35.973 293 HA PHE 37 HA PHE 37 41.301 59.931 35.383 294 HB2 PHE 37 HB2 PHE 37 42.812 60.818 37.861 295 HB3 PHE 37 HB3 PHE 37 41.675 59.475 37.929 296 HD1 PHE 37 HD2 PHE 37 41.802 57.765 35.944 297 HD2 PHE 37 HD1 PHE 37 45.064 60.088 37.504 298 HE1 PHE 37 HE2 PHE 37 43.423 56.137 34.972 299 HE2 PHE 37 HE1 PHE 37 46.687 58.517 36.450 300 HZ PHE 37 HZ PHE 37 45.851 56.578 35.128 301 H HIS 38 H HIS 38 40.556 63.089 36.684 302 HA HIS 38 HA HIS 38 38.038 62.273 37.869 303 HB2 HIS 38 HB2 HIS 38 39.502 64.438 38.114 304 HB3 HIS 38 HB3 HIS 38 38.496 65.026 36.775 305 HD2 HIS 38 HD2 HIS 38 38.395 63.596 40.367 306 HE1 HIS 38 HE1 HIS 38 34.992 66.105 40.091 307 HE2 HIS 38 HE2 HIS 38 36.394 64.678 41.633 308 H GLN 39 H GLN 39 39.079 62.907 34.533 309 HA GLN 39 HA GLN 39 36.490 62.815 33.272 310 HB2 GLN 39 HB2 GLN 39 39.084 61.602 32.271 311 HB3 GLN 39 HB3 GLN 39 37.682 62.047 31.313 312 HG2 GLN 39 HG2 GLN 39 39.524 63.958 32.786 313 HG3 GLN 39 HG3 GLN 39 39.432 63.684 31.055 314 HE21 GLN 39 HE22 GLN 39 39.165 66.343 31.801 315 HE22 GLN 39 HE21 GLN 39 37.449 66.759 31.875 316 H ALA 40 H ALA 40 38.461 60.325 34.809 317 HA ALA 40 HA ALA 40 36.770 58.169 33.739 318 HB1 ALA 40 HB1 ALA 40 39.181 57.994 35.579 319 HB2 ALA 40 HB2 ALA 40 38.425 56.670 34.705 320 HB3 ALA 40 HB3 ALA 40 39.295 57.940 33.792 321 H GLY 41 H GLY 41 36.007 60.218 35.899 322 HA2 GLY 41 HA2 GLY 41 33.969 59.631 37.121 323 HA3 GLY 41 HA3 GLY 41 34.821 58.219 37.774 324 HA PRO 42 HA PRO 42 35.091 61.656 40.819 325 HB2 PRO 42 HB2 PRO 42 33.705 60.617 42.891 326 HB3 PRO 42 HB3 PRO 42 32.866 61.213 41.436 327 HG2 PRO 42 HG2 PRO 42 33.438 58.309 42.099 328 HG3 PRO 42 HG3 PRO 42 31.972 59.052 41.423 329 HD2 PRO 42 HD2 PRO 42 33.999 57.908 39.871 330 HD3 PRO 42 HD3 PRO 42 32.810 59.155 39.319 331 H VAL 43 H VAL 43 37.389 60.952 40.577 332 HA VAL 43 HA VAL 43 38.664 59.032 42.210 333 HB VAL 43 HB VAL 43 39.474 61.751 41.155 334 HG11 VAL 43 HG11 VAL 43 41.529 59.796 42.251 335 HG12 VAL 43 HG12 VAL 43 41.808 61.385 41.531 336 HG13 VAL 43 HG13 VAL 43 41.016 61.298 43.089 337 HG21 VAL 43 HG21 VAL 43 39.172 60.086 39.417 338 HG22 VAL 43 HG22 VAL 43 40.866 60.584 39.590 339 HG23 VAL 43 HG23 VAL 43 40.339 59.003 40.213 340 H ILE 44 H ILE 44 39.551 59.125 44.288 341 HA ILE 44 HA ILE 44 38.475 61.072 46.246 342 HB ILE 44 HB ILE 44 40.134 58.535 46.624 343 HG12 ILE 44 HG12 ILE 44 37.777 58.043 45.970 344 HG13 ILE 44 HG13 ILE 44 38.226 57.492 47.566 345 HG21 ILE 44 HG21 ILE 44 39.174 60.587 48.601 346 HG22 ILE 44 HG22 ILE 44 39.379 58.905 49.097 347 HG23 ILE 44 HG23 ILE 44 40.765 59.791 48.456 348 HD11 ILE 44 HD11 ILE 44 36.006 58.483 47.730 349 HD12 ILE 44 HD12 ILE 44 37.105 59.605 48.525 350 HD13 ILE 44 HD13 ILE 44 36.554 59.950 46.874 351 H LYS 45 H LYS 45 41.613 59.806 45.174 352 HA LYS 45 HA LYS 45 43.171 62.159 45.817 353 HB2 LYS 45 HB2 LYS 45 44.373 61.439 47.654 354 HB3 LYS 45 HB3 LYS 45 42.796 60.899 48.094 355 HG2 LYS 45 HG2 LYS 45 44.061 58.746 46.609 356 HG3 LYS 45 HG3 LYS 45 45.291 59.459 47.619 357 HD2 LYS 45 HD2 LYS 45 42.698 58.133 48.409 358 HD3 LYS 45 HD3 LYS 45 44.365 57.569 48.684 359 HE2 LYS 45 HE2 LYS 45 44.530 59.819 50.080 360 HE3 LYS 45 HE3 LYS 45 42.767 59.648 50.169 361 HZ1 LYS 45 HZ1 LYS 45 43.017 57.568 51.305 362 HZ2 LYS 45 HZ2 LYS 45 44.649 57.569 51.117 363 HZ3 LYS 45 HZ3 LYS 45 43.959 58.641 52.055 364 H VAL 46 H VAL 46 45.306 61.830 45.285 365 HA VAL 46 HA VAL 46 45.997 59.606 43.460 366 HB VAL 46 HB VAL 46 46.537 62.557 42.809 367 HG11 VAL 46 HG11 VAL 46 48.472 61.182 42.022 368 HG12 VAL 46 HG12 VAL 46 47.338 60.059 41.246 369 HG13 VAL 46 HG13 VAL 46 47.464 61.752 40.698 370 HG21 VAL 46 HG21 VAL 46 44.292 62.011 42.185 371 HG22 VAL 46 HG22 VAL 46 45.234 61.857 40.690 372 HG23 VAL 46 HG23 VAL 46 44.769 60.406 41.582 373 H LYS 47 H LYS 47 48.211 59.201 43.369 374 HA LYS 47 HA LYS 47 49.993 60.512 45.310 375 HB2 LYS 47 HB2 LYS 47 49.486 58.492 46.526 376 HB3 LYS 47 HB3 LYS 47 49.251 57.568 45.070 377 HG2 LYS 47 HG2 LYS 47 51.236 56.721 45.937 378 HG3 LYS 47 HG3 LYS 47 51.810 57.751 44.653 379 HD2 LYS 47 HD2 LYS 47 52.230 59.609 46.280 380 HD3 LYS 47 HD3 LYS 47 51.695 58.537 47.589 381 HE2 LYS 47 HE2 LYS 47 53.956 57.841 45.668 382 HE3 LYS 47 HE3 LYS 47 54.233 58.800 47.112 383 HZ1 LYS 47 HZ1 LYS 47 53.708 57.002 48.464 384 HZ2 LYS 47 HZ2 LYS 47 52.894 56.195 47.314 385 HZ3 LYS 47 HZ3 LYS 47 54.512 56.312 47.223 386 H ILE 48 H ILE 48 51.784 61.013 44.575 387 HA ILE 48 HA ILE 48 52.974 59.626 42.234 388 HB ILE 48 HB ILE 48 53.000 62.449 43.183 389 HG12 ILE 48 HG12 ILE 48 51.554 61.558 41.274 390 HG13 ILE 48 HG13 ILE 48 52.540 62.989 40.946 391 HG21 ILE 48 HG21 ILE 48 55.322 61.313 41.662 392 HG22 ILE 48 HG22 ILE 48 54.850 63.046 41.751 393 HG23 ILE 48 HG23 ILE 48 55.298 62.184 43.228 394 HD11 ILE 48 HD11 ILE 48 53.348 60.204 40.026 395 HD12 ILE 48 HD12 ILE 48 52.496 61.417 39.050 396 HD13 ILE 48 HD13 ILE 48 54.115 61.775 39.672 397 HA PRO 49 HA PRO 49 56.216 58.257 45.199 398 HB2 PRO 49 HB2 PRO 49 57.550 56.681 43.391 399 HB3 PRO 49 HB3 PRO 49 56.088 56.143 44.260 400 HG2 PRO 49 HG2 PRO 49 56.330 57.293 41.464 401 HG3 PRO 49 HG3 PRO 49 55.322 55.893 41.996 402 HD2 PRO 49 HD2 PRO 49 54.414 58.398 41.533 403 HD3 PRO 49 HD3 PRO 49 53.662 57.357 42.768 404 H LYS 50 H LYS 50 58.630 58.294 45.102 405 HA LYS 50 HA LYS 50 59.943 59.764 43.011 406 HB2 LYS 50 HB2 LYS 50 59.715 61.019 45.756 407 HB3 LYS 50 HB3 LYS 50 61.083 61.301 44.680 408 HG2 LYS 50 HG2 LYS 50 59.067 61.679 42.892 409 HG3 LYS 50 HG3 LYS 50 58.247 62.229 44.354 410 HD2 LYS 50 HD2 LYS 50 59.913 64.007 44.617 411 HD3 LYS 50 HD3 LYS 50 60.961 63.241 43.403 412 HE2 LYS 50 HE2 LYS 50 59.263 63.588 41.660 413 HE3 LYS 50 HE3 LYS 50 58.138 64.225 42.857 414 HZ1 LYS 50 HZ1 LYS 50 59.547 66.095 43.189 415 HZ2 LYS 50 HZ2 LYS 50 60.755 65.488 42.282 416 HZ3 LYS 50 HZ3 LYS 50 59.357 65.963 41.602 417 H ASP 51 H ASP 51 61.421 58.470 42.662 418 HA ASP 51 HA ASP 51 63.144 56.840 44.203 419 HB2 ASP 51 HB2 ASP 51 62.989 57.088 41.697 420 HB3 ASP 51 HB3 ASP 51 63.712 58.701 41.863 421 H LYS 52 H LYS 52 65.333 57.225 44.829 422 HA LYS 52 HA LYS 52 65.876 59.362 46.587 423 HB2 LYS 52 HB2 LYS 52 68.229 58.595 46.374 424 HB3 LYS 52 HB3 LYS 52 67.121 57.278 46.678 425 HG2 LYS 52 HG2 LYS 52 67.998 56.181 44.944 426 HG3 LYS 52 HG3 LYS 52 67.247 57.311 43.851 427 HD2 LYS 52 HD2 LYS 52 69.170 58.590 43.552 428 HD3 LYS 52 HD3 LYS 52 69.896 58.068 45.086 429 HE2 LYS 52 HE2 LYS 52 70.287 55.871 44.344 430 HE3 LYS 52 HE3 LYS 52 69.283 56.058 42.905 431 HZ1 LYS 52 HZ1 LYS 52 71.912 57.357 43.381 432 HZ2 LYS 52 HZ2 LYS 52 71.637 56.169 42.325 433 HZ3 LYS 52 HZ3 LYS 52 70.974 57.608 42.064 434 H ASP 53 H ASP 53 66.586 59.035 43.104 435 HA ASP 53 HA ASP 53 67.896 61.562 42.915 436 HB2 ASP 53 HB2 ASP 53 68.196 59.525 41.476 437 HB3 ASP 53 HB3 ASP 53 66.686 59.900 40.657 438 H GLY 54 H GLY 54 64.528 60.783 43.263 439 HA2 GLY 54 HA2 GLY 54 62.899 62.329 43.632 440 HA3 GLY 54 HA3 GLY 54 63.805 63.577 42.764 441 H LYS 55 H LYS 55 62.727 60.337 41.701 442 HA LYS 55 HA LYS 55 60.917 61.607 39.712 443 HB2 LYS 55 HB2 LYS 55 63.167 60.949 38.815 444 HB3 LYS 55 HB3 LYS 55 62.787 59.269 39.230 445 HG2 LYS 55 HG2 LYS 55 62.198 59.354 36.926 446 HG3 LYS 55 HG3 LYS 55 60.658 59.603 37.703 447 HD2 LYS 55 HD2 LYS 55 60.602 61.364 36.195 448 HD3 LYS 55 HD3 LYS 55 61.315 62.176 37.593 449 HE2 LYS 55 HE2 LYS 55 63.593 61.491 36.592 450 HE3 LYS 55 HE3 LYS 55 62.698 61.200 35.094 451 HZ1 LYS 55 HZ1 LYS 55 63.546 63.530 35.317 452 HZ2 LYS 55 HZ2 LYS 55 61.942 63.442 35.106 453 HZ3 LYS 55 HZ3 LYS 55 62.514 63.759 36.573 454 HA PRO 56 HA PRO 56 57.995 58.650 41.147 455 HB2 PRO 56 HB2 PRO 56 56.202 58.829 38.924 456 HB3 PRO 56 HB3 PRO 56 56.215 59.863 40.404 457 HG2 PRO 56 HG2 PRO 56 57.238 60.285 37.668 458 HG3 PRO 56 HG3 PRO 56 56.648 61.529 38.815 459 HD2 PRO 56 HD2 PRO 56 59.340 61.211 38.357 460 HD3 PRO 56 HD3 PRO 56 58.672 61.698 39.939 461 H LYS 57 H LYS 57 60.171 57.614 39.195 462 HA LYS 57 HA LYS 57 60.663 55.726 38.057 463 HB2 LYS 57 HB2 LYS 57 58.613 54.361 39.872 464 HB3 LYS 57 HB3 LYS 57 60.034 53.658 39.091 465 HG2 LYS 57 HG2 LYS 57 60.784 53.840 41.179 466 HG3 LYS 57 HG3 LYS 57 61.315 55.427 40.615 467 HD2 LYS 57 HD2 LYS 57 59.278 56.461 41.678 468 HD3 LYS 57 HD3 LYS 57 58.715 54.855 42.157 469 HE2 LYS 57 HE2 LYS 57 61.402 55.951 42.966 470 HE3 LYS 57 HE3 LYS 57 59.953 56.216 43.954 471 HZ1 LYS 57 HZ1 LYS 57 61.339 53.743 43.315 472 HZ2 LYS 57 HZ2 LYS 57 60.920 54.278 44.783 473 HZ3 LYS 57 HZ3 LYS 57 59.784 53.643 43.807 474 H GLN 58 H GLN 58 58.254 57.279 37.032 475 HA GLN 58 HA GLN 58 56.956 57.274 35.275 476 HB2 GLN 58 HB2 GLN 58 58.337 54.688 34.510 477 HB3 GLN 58 HB3 GLN 58 56.963 55.347 33.629 478 HG2 GLN 58 HG2 GLN 58 58.441 57.539 33.506 479 HG3 GLN 58 HG3 GLN 58 59.762 56.443 33.965 480 HE21 GLN 58 HE21 GLN 58 57.226 56.939 31.421 481 HE22 GLN 58 HE22 GLN 58 58.134 56.013 30.244 482 H PHE 59 H PHE 59 56.008 56.464 37.828 483 HA PHE 59 HA PHE 59 53.536 55.068 37.116 484 HB2 PHE 59 HB2 PHE 59 53.854 53.112 37.924 485 HB3 PHE 59 HB3 PHE 59 55.562 53.463 37.868 486 HD1 PHE 59 HD1 PHE 59 52.565 52.921 39.912 487 HD2 PHE 59 HD2 PHE 59 56.740 53.945 40.076 488 HE1 PHE 59 HE1 PHE 59 52.526 52.578 42.339 489 HE2 PHE 59 HE2 PHE 59 56.756 53.364 42.522 490 HZ PHE 59 HZ PHE 59 54.658 52.775 43.662 491 H ALA 60 H ALA 60 51.919 55.062 38.753 492 HA ALA 60 HA ALA 60 52.191 56.692 41.147 493 HB1 ALA 60 HB1 ALA 60 50.354 58.238 40.330 494 HB2 ALA 60 HB2 ALA 60 51.892 58.419 39.463 495 HB3 ALA 60 HB3 ALA 60 50.536 57.515 38.723 496 H PHE 61 H PHE 61 50.062 56.920 42.183 497 HA PHE 61 HA PHE 61 48.257 54.606 41.691 498 HB2 PHE 61 HB2 PHE 61 49.552 55.581 44.251 499 HB3 PHE 61 HB3 PHE 61 47.909 55.025 44.366 500 HD1 PHE 61 HD1 PHE 61 47.519 52.502 43.276 501 HD2 PHE 61 HD2 PHE 61 51.280 54.147 44.617 502 HE1 PHE 61 HE1 PHE 61 48.418 50.222 43.585 503 HE2 PHE 61 HE2 PHE 61 52.110 51.864 45.071 504 HZ PHE 61 HZ PHE 61 50.696 49.890 44.506 505 H VAL 62 H VAL 62 46.067 54.888 42.146 506 HA VAL 62 HA VAL 62 45.103 57.642 42.729 507 HB VAL 62 HB VAL 62 44.365 55.921 40.317 508 HG11 VAL 62 HG11 VAL 62 43.283 58.711 40.781 509 HG12 VAL 62 HG12 VAL 62 42.884 57.529 39.509 510 HG13 VAL 62 HG13 VAL 62 42.321 57.252 41.144 511 HG21 VAL 62 HG21 VAL 62 45.850 58.541 40.705 512 HG22 VAL 62 HG22 VAL 62 46.422 57.070 39.889 513 HG23 VAL 62 HG23 VAL 62 45.196 58.094 39.117 514 H ASN 63 H ASN 63 42.988 57.709 43.647 515 HA ASN 63 HA ASN 63 42.098 55.023 44.592 516 HB2 ASN 63 HB2 ASN 63 43.401 56.476 46.261 517 HB3 ASN 63 HB3 ASN 63 42.028 57.554 46.250 518 HD21 ASN 63 HD22 ASN 63 43.094 54.226 47.079 519 HD22 ASN 63 HD21 ASN 63 41.685 53.889 48.062 520 H PHE 64 H PHE 64 40.082 54.471 44.646 521 HA PHE 64 HA PHE 64 37.821 56.385 44.368 522 HB2 PHE 64 HB2 PHE 64 38.198 53.729 42.929 523 HB3 PHE 64 HB3 PHE 64 36.698 54.627 42.999 524 HD1 PHE 64 HD2 PHE 64 36.226 56.511 41.669 525 HD2 PHE 64 HD1 PHE 64 40.058 54.550 41.350 526 HE1 PHE 64 HE2 PHE 64 36.668 57.715 39.563 527 HE2 PHE 64 HE1 PHE 64 40.468 55.726 39.217 528 HZ PHE 64 HZ PHE 64 38.765 57.296 38.304 529 H LYS 65 H LYS 65 35.910 55.728 45.407 530 HA LYS 65 HA LYS 65 36.077 53.932 47.734 531 HB2 LYS 65 HB2 LYS 65 35.378 56.200 48.165 532 HB3 LYS 65 HB3 LYS 65 34.136 56.136 46.900 533 HG2 LYS 65 HG2 LYS 65 32.779 54.658 48.069 534 HG3 LYS 65 HG3 LYS 65 34.060 54.277 49.260 535 HD2 LYS 65 HD2 LYS 65 33.953 56.618 50.078 536 HD3 LYS 65 HD3 LYS 65 32.697 56.979 48.877 537 HE2 LYS 65 HE2 LYS 65 31.612 56.619 50.926 538 HE3 LYS 65 HE3 LYS 65 31.272 55.173 49.967 539 HZ1 LYS 65 HZ1 LYS 65 31.951 54.611 52.214 540 HZ2 LYS 65 HZ2 LYS 65 33.058 54.043 51.188 541 HZ3 LYS 65 HZ3 LYS 65 33.364 55.411 52.040 542 H HIS 66 H HIS 66 34.626 52.276 48.153 543 HA HIS 66 HA HIS 66 33.607 50.315 47.593 544 HB2 HIS 66 HB2 HIS 66 31.813 51.893 48.270 545 HB3 HIS 66 HB3 HIS 66 31.428 52.132 46.579 546 HD2 HIS 66 HD2 HIS 66 29.036 51.075 46.850 547 HE1 HIS 66 HE1 HIS 66 30.170 47.069 47.655 548 HE2 HIS 66 HE2 HIS 66 28.268 48.571 46.980 549 H GLU 67 H GLU 67 35.440 50.117 46.070 550 HA GLU 67 HA GLU 67 35.167 50.500 43.300 551 HB2 GLU 67 HB2 GLU 67 37.126 48.967 45.022 552 HB3 GLU 67 HB3 GLU 67 37.130 48.706 43.289 553 HG2 GLU 67 HG2 GLU 67 37.107 51.535 44.288 554 HG3 GLU 67 HG3 GLU 67 38.605 50.605 44.320 555 H VAL 68 H VAL 68 35.219 49.116 41.569 556 HA VAL 68 HA VAL 68 33.844 46.506 41.819 557 HB VAL 68 HB VAL 68 32.649 47.016 39.685 558 HG11 VAL 68 HG11 VAL 68 31.791 48.602 42.125 559 HG12 VAL 68 HG12 VAL 68 30.752 48.104 40.775 560 HG13 VAL 68 HG13 VAL 68 31.488 46.875 41.809 561 HG21 VAL 68 HG21 VAL 68 33.262 49.946 40.286 562 HG22 VAL 68 HG22 VAL 68 33.529 49.053 38.761 563 HG23 VAL 68 HG23 VAL 68 31.902 49.387 39.311 564 H SER 69 H SER 69 34.247 45.027 40.173 565 HA SER 69 HA SER 69 36.792 44.966 38.953 566 HB2 SER 69 HB2 SER 69 35.812 43.212 37.473 567 HB3 SER 69 HB3 SER 69 35.533 42.899 39.202 568 HG SER 69 HG SER 69 33.580 44.249 37.761 569 H VAL 70 H VAL 70 37.473 45.212 36.847 570 HA VAL 70 HA VAL 70 37.891 46.315 34.984 571 HB VAL 70 HB VAL 70 34.926 46.379 34.467 572 HG11 VAL 70 HG11 VAL 70 36.256 47.767 32.974 573 HG12 VAL 70 HG12 VAL 70 37.334 46.398 32.599 574 HG13 VAL 70 HG13 VAL 70 35.619 46.352 32.125 575 HG21 VAL 70 HG21 VAL 70 37.000 44.177 33.998 576 HG22 VAL 70 HG22 VAL 70 35.541 44.087 35.009 577 HG23 VAL 70 HG23 VAL 70 35.383 44.209 33.258 578 HA PRO 71 HA PRO 71 37.825 50.566 37.001 579 HB2 PRO 71 HB2 PRO 71 40.266 50.190 35.283 580 HB3 PRO 71 HB3 PRO 71 40.065 51.144 36.785 581 HG2 PRO 71 HG2 PRO 71 41.153 48.628 36.890 582 HG3 PRO 71 HG3 PRO 71 39.982 49.165 38.132 583 HD2 PRO 71 HD2 PRO 71 39.549 47.246 35.915 584 HD3 PRO 71 HD3 PRO 71 38.779 47.401 37.508 585 H TYR 72 H TYR 72 36.688 52.182 36.120 586 HA TYR 72 HA TYR 72 35.974 52.440 33.419 587 HB2 TYR 72 HB2 TYR 72 34.896 53.437 35.490 588 HB3 TYR 72 HB3 TYR 72 36.043 54.756 35.369 589 HD1 TYR 72 HD2 TYR 72 33.277 52.946 33.637 590 HD2 TYR 72 HD1 TYR 72 35.795 56.413 33.565 591 HE1 TYR 72 HE2 TYR 72 31.654 54.071 32.135 592 HE2 TYR 72 HE1 TYR 72 34.203 57.547 32.019 593 HH TYR 72 HH TYR 72 32.143 57.362 30.932 594 H ALA 73 H ALA 73 38.824 54.039 35.065 595 HA ALA 73 HA ALA 73 39.522 55.697 32.875 596 HB1 ALA 73 HB1 ALA 73 41.480 54.315 34.763 597 HB2 ALA 73 HB2 ALA 73 41.783 55.724 33.730 598 HB3 ALA 73 HB3 ALA 73 40.728 55.900 35.109 599 H MET 74 H MET 74 40.016 52.210 33.333 600 HA MET 74 HA MET 74 42.133 51.992 31.437 601 HB2 MET 74 HB2 MET 74 41.774 50.386 33.254 602 HB3 MET 74 HB3 MET 74 40.250 49.846 32.565 603 HG2 MET 74 HG2 MET 74 42.101 48.300 32.253 604 HG3 MET 74 HG3 MET 74 41.478 48.816 30.696 605 HE1 MET 74 HE1 MET 74 43.323 47.960 29.456 606 HE2 MET 74 HE2 MET 74 45.049 48.353 29.612 607 HE3 MET 74 HE3 MET 74 44.242 47.357 30.858 608 H ASN 75 H ASN 75 38.673 52.139 30.989 609 HA ASN 75 HA ASN 75 38.832 51.384 28.123 610 HB2 ASN 75 HB2 ASN 75 36.934 50.640 29.484 611 HB3 ASN 75 HB3 ASN 75 36.555 52.297 29.917 612 HD21 ASN 75 HD22 ASN 75 35.293 53.489 28.371 613 HD22 ASN 75 HD21 ASN 75 34.904 52.873 26.774 614 H LEU 76 H LEU 76 39.334 54.231 29.975 615 HA LEU 76 HA LEU 76 37.864 56.004 28.107 616 HB2 LEU 76 HB2 LEU 76 37.450 55.659 30.642 617 HB3 LEU 76 HB3 LEU 76 38.927 56.562 30.913 618 HG LEU 76 HG LEU 76 36.780 57.681 31.339 619 HD11 LEU 76 HD11 LEU 76 38.271 59.269 29.233 620 HD12 LEU 76 HD12 LEU 76 37.207 59.878 30.495 621 HD13 LEU 76 HD13 LEU 76 38.716 59.118 30.965 622 HD21 LEU 76 HD21 LEU 76 35.682 56.618 29.306 623 HD22 LEU 76 HD22 LEU 76 35.211 58.260 29.755 624 HD23 LEU 76 HD23 LEU 76 36.312 57.990 28.375 625 H LEU 77 H LEU 77 40.898 55.637 29.826 626 HA LEU 77 HA LEU 77 42.222 57.597 28.053 627 HB2 LEU 77 HB2 LEU 77 43.186 56.655 30.756 628 HB3 LEU 77 HB3 LEU 77 43.884 57.890 29.683 629 HG LEU 77 HG LEU 77 43.081 59.109 31.336 630 HD11 LEU 77 HD11 LEU 77 41.015 60.338 30.651 631 HD12 LEU 77 HD12 LEU 77 42.046 60.038 29.242 632 HD13 LEU 77 HD13 LEU 77 40.598 59.069 29.506 633 HD21 LEU 77 HD21 LEU 77 40.671 57.392 31.744 634 HD22 LEU 77 HD22 LEU 77 42.140 57.618 32.758 635 HD23 LEU 77 HD23 LEU 77 41.022 58.939 32.574 636 H ASN 78 H ASN 78 44.055 55.246 29.961 637 HA ASN 78 HA ASN 78 45.864 53.988 29.163 638 HB2 ASN 78 HB2 ASN 78 44.581 52.327 29.964 639 HB3 ASN 78 HB3 ASN 78 43.309 52.512 28.736 640 HD21 ASN 78 HD22 ASN 78 46.921 52.151 28.136 641 HD22 ASN 78 HD21 ASN 78 46.619 50.623 27.366 642 H GLY 79 H GLY 79 46.495 55.750 27.663 643 HA2 GLY 79 HA2 GLY 79 47.719 54.968 25.442 644 HA3 GLY 79 HA3 GLY 79 46.055 55.067 24.797 645 H ILE 80 H ILE 80 47.041 57.510 27.083 646 HA ILE 80 HA ILE 80 46.851 59.475 24.853 647 HB ILE 80 HB ILE 80 44.977 60.633 25.892 648 HG12 ILE 80 HG12 ILE 80 43.984 58.975 27.866 649 HG13 ILE 80 HG13 ILE 80 45.734 59.126 28.229 650 HG21 ILE 80 HG21 ILE 80 44.482 57.622 25.679 651 HG22 ILE 80 HG22 ILE 80 43.230 58.839 25.738 652 HG23 ILE 80 HG23 ILE 80 44.394 58.843 24.381 653 HD11 ILE 80 HD11 ILE 80 43.990 61.554 27.647 654 HD12 ILE 80 HD12 ILE 80 44.093 60.817 29.251 655 HD13 ILE 80 HD13 ILE 80 45.557 61.483 28.471 656 H LYS 81 H LYS 81 47.559 61.615 25.310 657 HA LYS 81 HA LYS 81 48.604 62.291 27.909 658 HB2 LYS 81 HB2 LYS 81 51.054 62.554 26.871 659 HB3 LYS 81 HB3 LYS 81 50.481 61.105 27.630 660 HG2 LYS 81 HG2 LYS 81 51.654 60.447 25.625 661 HG3 LYS 81 HG3 LYS 81 49.939 60.158 25.332 662 HD2 LYS 81 HD2 LYS 81 49.762 62.287 24.120 663 HD3 LYS 81 HD3 LYS 81 51.494 62.611 24.463 664 HE2 LYS 81 HE2 LYS 81 52.047 60.498 23.256 665 HE3 LYS 81 HE3 LYS 81 50.343 60.347 22.793 666 HZ1 LYS 81 HZ1 LYS 81 51.995 62.723 22.183 667 HZ2 LYS 81 HZ2 LYS 81 51.633 61.589 21.073 668 HZ3 LYS 81 HZ3 LYS 81 50.482 62.512 21.743 669 H LEU 82 H LEU 82 49.987 64.219 27.854 670 HA LEU 82 HA LEU 82 49.523 66.199 25.699 671 HB2 LEU 82 HB2 LEU 82 47.834 66.460 27.533 672 HB3 LEU 82 HB3 LEU 82 49.125 66.542 28.719 673 HG LEU 82 HG LEU 82 49.895 68.696 27.459 674 HD11 LEU 82 HD11 LEU 82 47.036 68.552 26.400 675 HD12 LEU 82 HD12 LEU 82 48.303 69.745 26.009 676 HD13 LEU 82 HD13 LEU 82 48.444 68.077 25.444 677 HD21 LEU 82 HD21 LEU 82 48.947 68.845 29.648 678 HD22 LEU 82 HD22 LEU 82 48.272 70.113 28.628 679 HD23 LEU 82 HD23 LEU 82 47.296 68.683 29.039 680 H TYR 83 H TYR 83 51.600 64.783 28.051 681 HA TYR 83 HA TYR 83 53.658 66.918 27.850 682 HB2 TYR 83 HB2 TYR 83 53.334 64.531 29.713 683 HB3 TYR 83 HB3 TYR 83 54.815 65.414 29.581 684 HD1 TYR 83 HD1 TYR 83 51.501 67.140 29.544 685 HD2 TYR 83 HD2 TYR 83 54.921 66.035 31.939 686 HE1 TYR 83 HE1 TYR 83 50.720 68.617 31.360 687 HE2 TYR 83 HE2 TYR 83 54.031 67.387 33.822 688 HH TYR 83 HH TYR 83 51.146 69.398 33.445 689 H GLY 84 H GLY 84 53.240 63.435 27.222 690 HA2 GLY 84 HA2 GLY 84 55.063 63.267 25.062 691 HA3 GLY 84 HA3 GLY 84 56.010 62.962 26.526 692 H ARG 85 H ARG 85 54.401 61.389 28.032 693 HA ARG 85 HA ARG 85 54.438 58.792 26.514 694 HB2 ARG 85 HB2 ARG 85 55.011 59.380 29.455 695 HB3 ARG 85 HB3 ARG 85 54.857 57.791 28.726 696 HG2 ARG 85 HG2 ARG 85 57.106 58.068 28.930 697 HG3 ARG 85 HG3 ARG 85 56.704 58.224 27.209 698 HD2 ARG 85 HD2 ARG 85 57.006 60.716 27.471 699 HD3 ARG 85 HD3 ARG 85 57.597 60.399 29.125 700 HE ARG 85 HE ARG 85 58.944 58.699 27.229 701 HH11 ARG 85 HH11 ARG 85 58.868 62.113 28.068 702 HH12 ARG 85 HH12 ARG 85 60.426 62.353 27.316 703 HH21 ARG 85 HH21 ARG 85 60.871 59.261 26.176 704 HH22 ARG 85 HH22 ARG 85 61.602 60.787 26.570 705 HA PRO 86 HA PRO 86 50.184 58.931 27.353 706 HB2 PRO 86 HB2 PRO 86 49.369 56.525 26.311 707 HB3 PRO 86 HB3 PRO 86 49.839 57.944 25.295 708 HG2 PRO 86 HG2 PRO 86 51.623 55.622 26.183 709 HG3 PRO 86 HG3 PRO 86 51.351 56.243 24.502 710 HD2 PRO 86 HD2 PRO 86 53.458 57.015 25.943 711 HD3 PRO 86 HD3 PRO 86 52.514 58.246 25.044 712 H ILE 87 H ILE 87 49.101 58.557 29.209 713 HA ILE 87 HA ILE 87 49.961 56.901 31.299 714 HB ILE 87 HB ILE 87 47.321 58.220 30.600 715 HG12 ILE 87 HG12 ILE 87 49.233 59.671 31.145 716 HG13 ILE 87 HG13 ILE 87 47.943 59.803 32.340 717 HG21 ILE 87 HG21 ILE 87 47.978 56.530 33.025 718 HG22 ILE 87 HG22 ILE 87 46.694 57.785 33.074 719 HG23 ILE 87 HG23 ILE 87 46.564 56.406 31.980 720 HD11 ILE 87 HD11 ILE 87 50.499 58.174 32.749 721 HD12 ILE 87 HD12 ILE 87 50.184 59.809 33.336 722 HD13 ILE 87 HD13 ILE 87 49.191 58.431 33.916 723 H LYS 88 H LYS 88 50.059 54.867 31.550 724 HA LYS 88 HA LYS 88 48.125 53.077 30.282 725 HB2 LYS 88 HB2 LYS 88 50.598 52.911 29.846 726 HB3 LYS 88 HB3 LYS 88 50.863 52.585 31.555 727 HG2 LYS 88 HG2 LYS 88 50.936 50.604 30.098 728 HG3 LYS 88 HG3 LYS 88 49.835 50.513 31.501 729 HD2 LYS 88 HD2 LYS 88 47.932 50.974 30.010 730 HD3 LYS 88 HD3 LYS 88 49.054 50.983 28.599 731 HE2 LYS 88 HE2 LYS 88 48.538 48.650 30.462 732 HE3 LYS 88 HE3 LYS 88 47.802 48.880 28.842 733 HZ1 LYS 88 HZ1 LYS 88 50.144 49.050 28.063 734 HZ2 LYS 88 HZ2 LYS 88 50.616 48.342 29.430 735 HZ3 LYS 88 HZ3 LYS 88 49.613 47.548 28.407 736 H ILE 89 H ILE 89 46.487 52.442 31.503 737 HA ILE 89 HA ILE 89 46.719 52.345 34.454 738 HB ILE 89 HB ILE 89 44.370 52.005 32.593 739 HG12 ILE 89 HG12 ILE 89 43.803 53.987 34.421 740 HG13 ILE 89 HG13 ILE 89 45.540 54.205 34.277 741 HG21 ILE 89 HG21 ILE 89 44.831 51.444 35.522 742 HG22 ILE 89 HG22 ILE 89 43.239 52.009 35.037 743 HG23 ILE 89 HG23 ILE 89 43.896 50.503 34.342 744 HD11 ILE 89 HD11 ILE 89 43.559 54.251 31.966 745 HD12 ILE 89 HD12 ILE 89 44.339 55.647 32.734 746 HD13 ILE 89 HD13 ILE 89 45.318 54.477 31.828 747 H GLN 90 H GLN 90 46.559 50.402 35.749 748 HA GLN 90 HA GLN 90 46.630 47.799 34.404 749 HB2 GLN 90 HB2 GLN 90 48.703 48.400 36.547 750 HB3 GLN 90 HB3 GLN 90 48.654 47.050 35.434 751 HG2 GLN 90 HG2 GLN 90 49.094 48.768 33.579 752 HG3 GLN 90 HG3 GLN 90 49.288 49.942 34.903 753 HE21 GLN 90 HE22 GLN 90 51.419 49.601 33.258 754 HE22 GLN 90 HE21 GLN 90 52.698 48.876 34.229 755 H PHE 91 H PHE 91 46.488 46.010 35.885 756 HA PHE 91 HA PHE 91 46.041 46.441 38.718 757 HB2 PHE 91 HB2 PHE 91 43.768 46.899 37.543 758 HB3 PHE 91 HB3 PHE 91 43.690 45.153 37.300 759 HD1 PHE 91 HD1 PHE 91 43.413 43.634 39.231 760 HD2 PHE 91 HD2 PHE 91 43.585 47.911 39.708 761 HE1 PHE 91 HE1 PHE 91 42.788 43.383 41.600 762 HE2 PHE 91 HE2 PHE 91 42.767 47.677 42.045 763 HZ PHE 91 HZ PHE 91 42.514 45.400 43.041 764 H ARG 92 H ARG 92 46.025 44.526 39.980 765 HA ARG 92 HA ARG 92 47.910 42.525 39.147 766 HB2 ARG 92 HB2 ARG 92 47.518 43.716 41.382 767 HB3 ARG 92 HB3 ARG 92 46.144 42.660 41.621 768 HG2 ARG 92 HG2 ARG 92 49.100 41.942 41.508 769 HG3 ARG 92 HG3 ARG 92 48.083 42.013 42.933 770 HD2 ARG 92 HD2 ARG 92 47.862 40.005 40.681 771 HD3 ARG 92 HD3 ARG 92 48.568 39.711 42.255 772 HE ARG 92 HE ARG 92 45.723 39.665 41.626 773 HH11 ARG 92 HH11 ARG 92 48.104 40.029 44.239 774 HH12 ARG 92 HH12 ARG 92 46.884 39.751 45.435 775 HH21 ARG 92 HH21 ARG 92 44.272 39.294 43.430 776 HH22 ARG 92 HH22 ARG 92 45.001 39.420 45.036 777 H SER 93 H SER 93 47.505 40.641 38.056 778 HA SER 93 HA SER 93 44.927 39.765 37.453 779 HB2 SER 93 HB2 SER 93 47.269 39.206 36.313 780 HB3 SER 93 HB3 SER 93 47.115 37.706 37.265 781 HG SER 93 HG SER 93 45.489 38.811 35.342 782 H GLY 94 H GLY 94 43.768 37.929 37.828 783 HA2 GLY 94 HA2 GLY 94 43.849 35.772 39.241 784 HA3 GLY 94 HA3 GLY 94 43.855 36.858 40.623 785 H SER 95 H SER 95 41.835 38.280 38.297 786 HA SER 95 HA SER 95 39.552 38.537 38.250 787 HB2 SER 95 HB2 SER 95 40.107 35.792 37.126 788 HB3 SER 95 HB3 SER 95 38.541 36.605 36.987 789 HG SER 95 HG SER 95 40.290 36.950 35.363 790 H SER 96 H SER 96 39.740 38.477 40.722 791 HA SER 96 HA SER 96 37.404 37.228 41.829 792 HB2 SER 96 HB2 SER 96 38.406 35.605 43.308 793 HB3 SER 96 HB3 SER 96 38.941 35.259 41.656 794 HG SER 96 HG SER 96 40.877 35.836 42.115 795 H HIS 97 H HIS 97 37.089 37.714 44.126 796 HA HIS 97 HA HIS 97 38.777 39.908 45.277 797 HB2 HIS 97 HB2 HIS 97 35.927 39.239 46.094 798 HB3 HIS 97 HB3 HIS 97 36.904 40.657 46.473 799 HD2 HIS 97 HD2 HIS 97 37.997 41.805 44.067 800 HE1 HIS 97 HE1 HIS 97 34.215 41.671 42.154 801 HE2 HIS 97 HE2 HIS 97 36.527 42.718 42.134 802 H ALA 98 H ALA 98 38.840 39.794 47.757 803 HA ALA 98 HA ALA 98 38.932 36.952 48.647 804 HB1 ALA 98 HB1 ALA 98 41.111 37.909 48.745 805 HB2 ALA 98 HB2 ALA 98 40.524 39.326 49.644 806 HB3 ALA 98 HB3 ALA 98 40.498 37.705 50.387 807 HA PRO 99 HA PRO 99 35.718 38.039 51.640 808 HB2 PRO 99 HB2 PRO 99 35.882 35.998 53.381 809 HB3 PRO 99 HB3 PRO 99 35.431 35.698 51.686 810 HG2 PRO 99 HG2 PRO 99 38.186 35.437 52.944 811 HG3 PRO 99 HG3 PRO 99 37.344 34.228 51.926 812 HD2 PRO 99 HD2 PRO 99 39.193 36.018 50.969 813 HD3 PRO 99 HD3 PRO 99 37.872 35.399 49.960 814 H GLN 100 H GLN 100 35.620 38.797 53.936 815 HA GLN 100 HA GLN 100 38.165 39.360 55.301 816 HB2 GLN 100 HB2 GLN 100 37.097 41.272 54.038 817 HB3 GLN 100 HB3 GLN 100 35.603 41.001 54.913 818 HG2 GLN 100 HG2 GLN 100 36.749 42.851 55.815 819 HG3 GLN 100 HG3 GLN 100 36.743 41.537 57.020 820 HE21 GLN 100 HE22 GLN 100 38.600 42.604 58.084 821 HE22 GLN 100 HE21 GLN 100 40.163 42.678 57.285 822 H ASP 101 H ASP 101 35.138 37.828 55.372 823 HA ASP 101 HA ASP 101 34.923 37.661 58.324 824 HB2 ASP 101 HB2 ASP 101 33.082 36.733 56.119 825 HB3 ASP 101 HB3 ASP 101 32.697 36.754 57.836 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 51.291 51.794 21.696 2 H2 GLY 1 H2 GLY 1 51.397 51.560 23.311 3 H3 GLY 1 H3 GLY 1 50.616 50.465 22.355 4 HA2 GLY 1 HA2 GLY 1 52.642 49.897 21.249 5 HA3 GLY 1 HA3 GLY 1 53.480 51.078 22.280 6 H SER 2 H SER 2 53.119 47.944 21.845 7 HA SER 2 HA SER 2 53.412 47.103 24.695 8 HB2 SER 2 HB2 SER 2 51.031 46.912 23.837 9 HB3 SER 2 HB3 SER 2 51.625 45.720 22.673 10 HG SER 2 HG SER 2 51.114 44.594 24.356 11 H GLU 3 H GLU 3 53.654 44.418 24.127 12 HA GLU 3 HA GLU 3 55.788 44.019 22.121 13 HB2 GLU 3 HB2 GLU 3 55.928 43.487 25.113 14 HB3 GLU 3 HB3 GLU 3 56.867 42.508 23.967 15 HG2 GLU 3 HG2 GLU 3 58.130 44.405 23.255 16 HG3 GLU 3 HG3 GLU 3 57.186 45.511 24.262 17 H PHE 4 H PHE 4 55.813 41.926 21.320 18 HA PHE 4 HA PHE 4 53.422 40.616 20.839 19 HB2 PHE 4 HB2 PHE 4 54.597 38.858 19.850 20 HB3 PHE 4 HB3 PHE 4 55.523 40.341 19.543 21 HD1 PHE 4 HD1 PHE 4 57.639 40.683 20.965 22 HD2 PHE 4 HD2 PHE 4 55.528 36.954 20.737 23 HE1 PHE 4 HE1 PHE 4 59.567 39.523 22.041 24 HE2 PHE 4 HE2 PHE 4 57.525 35.760 21.658 25 HZ PHE 4 HZ PHE 4 59.492 37.066 22.410 26 H GLU 5 H GLU 5 55.791 39.688 23.307 27 HA GLU 5 HA GLU 5 53.631 38.342 24.821 28 HB2 GLU 5 HB2 GLU 5 56.330 37.319 24.008 29 HB3 GLU 5 HB3 GLU 5 55.638 36.818 25.583 30 HG2 GLU 5 HG2 GLU 5 54.324 36.447 22.865 31 HG3 GLU 5 HG3 GLU 5 55.301 35.244 23.700 32 H LEU 6 H LEU 6 53.540 38.973 26.813 33 HA LEU 6 HA LEU 6 55.777 40.314 28.192 34 HB2 LEU 6 HB2 LEU 6 53.434 41.635 27.037 35 HB3 LEU 6 HB3 LEU 6 53.432 41.843 28.766 36 HG LEU 6 HG LEU 6 55.814 42.522 26.981 37 HD11 LEU 6 HD11 LEU 6 53.566 44.366 27.912 38 HD12 LEU 6 HD12 LEU 6 55.040 44.851 27.025 39 HD13 LEU 6 HD13 LEU 6 53.836 43.824 26.253 40 HD21 LEU 6 HD21 LEU 6 55.204 43.405 29.838 41 HD22 LEU 6 HD22 LEU 6 56.611 42.474 29.236 42 HD23 LEU 6 HD23 LEU 6 56.398 44.153 28.785 43 H ARG 7 H ARG 7 55.063 40.902 30.452 44 HA ARG 7 HA ARG 7 54.083 38.491 31.849 45 HB2 ARG 7 HB2 ARG 7 54.840 39.365 33.790 46 HB3 ARG 7 HB3 ARG 7 56.057 39.232 32.479 47 HG2 ARG 7 HG2 ARG 7 54.969 41.888 32.463 48 HG3 ARG 7 HG3 ARG 7 55.305 41.410 34.163 49 HD2 ARG 7 HD2 ARG 7 57.625 40.857 33.507 50 HD3 ARG 7 HD3 ARG 7 57.199 41.115 31.808 51 HE ARG 7 HE ARG 7 56.970 43.374 33.799 52 HH11 ARG 7 HH11 ARG 7 58.515 42.104 30.921 53 HH12 ARG 7 HH12 ARG 7 59.198 43.645 30.523 54 HH21 ARG 7 HH21 ARG 7 57.943 45.203 33.305 55 HH22 ARG 7 HH22 ARG 7 59.020 45.381 31.922 56 H ARG 8 H ARG 8 52.341 38.240 32.830 57 HA ARG 8 HA ARG 8 50.628 40.156 34.096 58 HB2 ARG 8 HB2 ARG 8 48.720 40.185 32.681 59 HB3 ARG 8 HB3 ARG 8 50.112 40.765 31.811 60 HG2 ARG 8 HG2 ARG 8 50.246 38.674 30.500 61 HG3 ARG 8 HG3 ARG 8 48.787 38.061 31.333 62 HD2 ARG 8 HD2 ARG 8 47.492 39.941 30.660 63 HD3 ARG 8 HD3 ARG 8 48.894 40.761 29.965 64 HE ARG 8 HE ARG 8 48.888 38.520 28.434 65 HH11 ARG 8 HH11 ARG 8 46.060 40.659 29.198 66 HH12 ARG 8 HH12 ARG 8 45.411 40.265 27.629 67 HH21 ARG 8 HH21 ARG 8 47.688 37.987 26.767 68 HH22 ARG 8 HH22 ARG 8 46.128 38.677 26.472 69 H GLN 9 H GLN 9 51.360 36.867 33.438 70 HA GLN 9 HA GLN 9 48.823 35.882 34.711 71 HB2 GLN 9 HB2 GLN 9 50.510 34.219 32.847 72 HB3 GLN 9 HB3 GLN 9 48.827 34.034 33.330 73 HG2 GLN 9 HG2 GLN 9 48.329 36.201 32.142 74 HG3 GLN 9 HG3 GLN 9 49.912 36.041 31.319 75 HE21 GLN 9 HE22 GLN 9 50.200 33.970 29.978 76 HE22 GLN 9 HE21 GLN 9 48.792 33.244 29.296 77 H GLN 10 H GLN 10 52.273 35.735 35.027 78 HA GLN 10 HA GLN 10 52.385 33.100 36.264 79 HB2 GLN 10 HB2 GLN 10 54.569 35.178 35.982 80 HB3 GLN 10 HB3 GLN 10 54.731 33.474 36.444 81 HG2 GLN 10 HG2 GLN 10 53.773 32.831 34.225 82 HG3 GLN 10 HG3 GLN 10 53.815 34.541 33.755 83 HE21 GLN 10 HE22 GLN 10 55.838 31.815 34.916 84 HE22 GLN 10 HE21 GLN 10 57.359 32.540 34.377 85 H ALA 11 H ALA 11 50.726 35.239 37.428 86 HA ALA 11 HA ALA 11 51.515 35.331 40.262 87 HB1 ALA 11 HB1 ALA 11 52.752 37.165 38.962 88 HB2 ALA 11 HB2 ALA 11 51.166 37.879 38.629 89 HB3 ALA 11 HB3 ALA 11 51.725 37.745 40.305 90 H LEU 12 H LEU 12 49.983 36.167 41.631 91 HA LEU 12 HA LEU 12 47.183 36.515 40.721 92 HB2 LEU 12 HB2 LEU 12 46.655 35.953 43.098 93 HB3 LEU 12 HB3 LEU 12 47.448 34.682 42.225 94 HG LEU 12 HG LEU 12 49.675 35.919 43.327 95 HD11 LEU 12 HD11 LEU 12 48.079 37.413 44.620 96 HD12 LEU 12 HD12 LEU 12 47.596 35.934 45.503 97 HD13 LEU 12 HD13 LEU 12 49.275 36.515 45.569 98 HD21 LEU 12 HD21 LEU 12 49.223 33.506 43.385 99 HD22 LEU 12 HD22 LEU 12 49.709 34.117 44.971 100 HD23 LEU 12 HD23 LEU 12 47.993 33.768 44.651 101 H ALA 13 H ALA 13 45.917 38.130 41.780 102 HA ALA 13 HA ALA 13 47.049 40.578 42.922 103 HB1 ALA 13 HB1 ALA 13 46.617 41.946 40.972 104 HB2 ALA 13 HB2 ALA 13 47.541 40.550 40.381 105 HB3 ALA 13 HB3 ALA 13 45.780 40.603 40.163 106 H GLU 14 H GLU 14 45.368 41.936 43.744 107 HA GLU 14 HA GLU 14 42.513 41.557 43.217 108 HB2 GLU 14 HB2 GLU 14 42.805 39.829 44.892 109 HB3 GLU 14 HB3 GLU 14 43.916 40.868 45.813 110 HG2 GLU 14 HG2 GLU 14 42.072 42.346 46.407 111 HG3 GLU 14 HG3 GLU 14 40.923 41.261 45.628 112 H ALA 15 H ALA 15 41.527 43.630 43.482 113 HA ALA 15 HA ALA 15 43.166 45.918 44.013 114 HB1 ALA 15 HB1 ALA 15 41.136 47.179 43.723 115 HB2 ALA 15 HB2 ALA 15 41.470 46.037 42.397 116 HB3 ALA 15 HB3 ALA 15 40.185 45.681 43.595 117 H ASP 16 H ASP 16 43.381 47.268 45.678 118 HA ASP 16 HA ASP 16 41.814 46.824 48.162 119 HB2 ASP 16 HB2 ASP 16 43.730 47.286 49.384 120 HB3 ASP 16 HB3 ASP 16 44.182 46.152 48.096 121 H ARG 17 H ARG 17 40.276 48.345 46.760 122 HA ARG 17 HA ARG 17 39.420 50.402 46.209 123 HB2 ARG 17 HB2 ARG 17 40.885 51.031 48.785 124 HB3 ARG 17 HB3 ARG 17 40.017 52.268 47.942 125 HG2 ARG 17 HG2 ARG 17 37.930 51.225 48.172 126 HG3 ARG 17 HG3 ARG 17 38.609 49.613 48.512 127 HD2 ARG 17 HD2 ARG 17 39.024 52.007 50.275 128 HD3 ARG 17 HD3 ARG 17 37.694 50.834 50.507 129 HE ARG 17 HE ARG 17 39.886 49.177 50.517 130 HH11 ARG 17 HH11 ARG 17 38.954 52.106 52.297 131 HH12 ARG 17 HH12 ARG 17 39.924 51.581 53.667 132 HH21 ARG 17 HH21 ARG 17 41.077 48.729 52.251 133 HH22 ARG 17 HH22 ARG 17 41.080 49.827 53.636 134 H THR 18 H THR 18 42.415 49.763 45.242 135 HA THR 18 HA THR 18 43.073 52.529 44.407 136 HB THR 18 HB THR 18 45.355 50.898 45.532 137 HG1 THR 18 HG1 THR 18 43.681 51.147 47.198 138 HG21 THR 18 HG21 THR 18 44.744 53.868 45.501 139 HG22 THR 18 HG22 THR 18 46.207 53.117 46.151 140 HG23 THR 18 HG23 THR 18 45.893 53.025 44.412 141 H LEU 19 H LEU 19 44.399 52.743 42.671 142 HA LEU 19 HA LEU 19 44.315 50.448 40.779 143 HB2 LEU 19 HB2 LEU 19 42.634 52.233 40.497 144 HB3 LEU 19 HB3 LEU 19 43.873 53.460 40.431 145 HG LEU 19 HG LEU 19 44.697 52.572 38.249 146 HD11 LEU 19 HD11 LEU 19 42.619 50.463 38.833 147 HD12 LEU 19 HD12 LEU 19 43.224 50.805 37.171 148 HD13 LEU 19 HD13 LEU 19 44.320 50.228 38.411 149 HD21 LEU 19 HD21 LEU 19 43.001 54.287 38.252 150 HD22 LEU 19 HD22 LEU 19 42.547 53.136 36.992 151 HD23 LEU 19 HD23 LEU 19 41.719 53.109 38.566 152 H PHE 20 H PHE 20 46.104 49.870 39.604 153 HA PHE 20 HA PHE 20 48.503 51.468 39.984 154 HB2 PHE 20 HB2 PHE 20 48.617 48.967 40.028 155 HB3 PHE 20 HB3 PHE 20 48.154 48.955 38.328 156 HD1 PHE 20 HD2 PHE 20 50.729 49.950 40.806 157 HD2 PHE 20 HD1 PHE 20 49.911 49.655 36.575 158 HE1 PHE 20 HE2 PHE 20 53.090 50.455 40.310 159 HE2 PHE 20 HE1 PHE 20 52.267 50.227 36.100 160 HZ PHE 20 HZ PHE 20 53.860 50.640 37.959 161 H VAL 21 H VAL 21 49.266 52.889 38.723 162 HA VAL 21 HA VAL 21 48.289 53.152 35.931 163 HB VAL 21 HB VAL 21 48.975 55.441 37.809 164 HG11 VAL 21 HG11 VAL 21 47.436 55.388 35.196 165 HG12 VAL 21 HG12 VAL 21 48.015 56.818 36.126 166 HG13 VAL 21 HG13 VAL 21 49.158 55.776 35.276 167 HG21 VAL 21 HG21 VAL 21 46.992 54.490 38.770 168 HG22 VAL 21 HG22 VAL 21 46.374 55.772 37.721 169 HG23 VAL 21 HG23 VAL 21 46.311 54.070 37.210 170 H GLY 22 H GLY 22 50.014 53.243 34.485 171 HA2 GLY 22 HA2 GLY 22 52.644 54.000 35.558 172 HA3 GLY 22 HA3 GLY 22 52.555 52.446 34.774 173 H ASN 23 H ASN 23 54.200 53.675 33.506 174 HA ASN 23 HA ASN 23 54.959 54.580 31.538 175 HB2 ASN 23 HB2 ASN 23 52.842 53.161 30.678 176 HB3 ASN 23 HB3 ASN 23 52.169 54.764 30.434 177 HD21 ASN 23 HD21 ASN 23 52.034 54.230 28.233 178 HD22 ASN 23 HD22 ASN 23 53.479 54.320 27.218 179 H LEU 24 H LEU 24 54.482 56.140 33.681 180 HA LEU 24 HA LEU 24 53.022 58.578 33.098 181 HB2 LEU 24 HB2 LEU 24 55.107 57.787 35.160 182 HB3 LEU 24 HB3 LEU 24 54.442 59.390 35.074 183 HG LEU 24 HG LEU 24 53.532 57.663 36.804 184 HD11 LEU 24 HD11 LEU 24 51.962 59.570 35.154 185 HD12 LEU 24 HD12 LEU 24 50.978 58.411 36.059 186 HD13 LEU 24 HD13 LEU 24 52.073 59.450 36.944 187 HD21 LEU 24 HD21 LEU 24 53.158 55.881 35.103 188 HD22 LEU 24 HD22 LEU 24 51.765 56.200 36.177 189 HD23 LEU 24 HD23 LEU 24 51.765 56.805 34.508 190 H GLU 25 H GLU 25 53.891 60.628 32.883 191 HA GLU 25 HA GLU 25 56.277 60.757 31.185 192 HB2 GLU 25 HB2 GLU 25 54.057 62.434 31.636 193 HB3 GLU 25 HB3 GLU 25 55.442 63.331 32.286 194 HG2 GLU 25 HG2 GLU 25 55.655 62.025 29.580 195 HG3 GLU 25 HG3 GLU 25 54.823 63.566 29.701 196 H THR 26 H THR 26 58.049 62.127 31.688 197 HA THR 26 HA THR 26 59.271 61.005 33.984 198 HB THR 26 HB THR 26 61.322 62.074 33.125 199 HG1 THR 26 HG1 THR 26 59.668 63.207 31.169 200 HG21 THR 26 HG21 THR 26 59.509 60.975 30.895 201 HG22 THR 26 HG22 THR 26 61.286 61.015 30.874 202 HG23 THR 26 HG23 THR 26 60.401 59.986 32.042 203 H LYS 27 H LYS 27 57.609 63.814 33.552 204 HA LYS 27 HA LYS 27 58.469 65.124 36.087 205 HB2 LYS 27 HB2 LYS 27 57.642 66.561 33.531 206 HB3 LYS 27 HB3 LYS 27 57.977 67.300 35.071 207 HG2 LYS 27 HG2 LYS 27 60.104 65.616 33.659 208 HG3 LYS 27 HG3 LYS 27 59.859 67.307 33.266 209 HD2 LYS 27 HD2 LYS 27 60.381 66.369 36.121 210 HD3 LYS 27 HD3 LYS 27 61.644 66.909 34.991 211 HE2 LYS 27 HE2 LYS 27 60.649 69.069 34.743 212 HE3 LYS 27 HE3 LYS 27 59.195 68.609 35.622 213 HZ1 LYS 27 HZ1 LYS 27 61.875 68.932 36.734 214 HZ2 LYS 27 HZ2 LYS 27 60.505 69.770 37.105 215 HZ3 LYS 27 HZ3 LYS 27 60.655 68.195 37.553 216 H VAL 28 H VAL 28 56.185 63.243 35.240 217 HA VAL 28 HA VAL 28 53.667 64.501 35.372 218 HB VAL 28 HB VAL 28 54.187 62.155 34.855 219 HG11 VAL 28 HG11 VAL 28 54.095 60.548 36.891 220 HG12 VAL 28 HG12 VAL 28 55.642 61.352 36.550 221 HG13 VAL 28 HG13 VAL 28 54.618 61.922 37.870 222 HG21 VAL 28 HG21 VAL 28 51.925 63.274 35.587 223 HG22 VAL 28 HG22 VAL 28 52.023 61.540 35.370 224 HG23 VAL 28 HG23 VAL 28 52.114 62.256 37.023 225 H THR 29 H THR 29 52.118 64.449 37.226 226 HA THR 29 HA THR 29 53.173 64.849 39.908 227 HB THR 29 HB THR 29 51.997 67.084 40.173 228 HG1 THR 29 HG1 THR 29 52.248 67.241 37.440 229 HG21 THR 29 HG21 THR 29 54.225 67.183 38.115 230 HG22 THR 29 HG22 THR 29 53.950 68.263 39.520 231 HG23 THR 29 HG23 THR 29 54.490 66.576 39.754 232 H GLU 30 H GLU 30 51.482 65.086 41.461 233 HA GLU 30 HA GLU 30 49.157 63.499 41.111 234 HB2 GLU 30 HB2 GLU 30 49.799 65.680 43.137 235 HB3 GLU 30 HB3 GLU 30 48.517 64.443 43.302 236 HG2 GLU 30 HG2 GLU 30 50.484 62.757 42.903 237 HG3 GLU 30 HG3 GLU 30 51.533 64.122 43.262 238 H GLU 31 H GLU 31 49.693 67.011 40.590 239 HA GLU 31 HA GLU 31 46.952 67.679 40.068 240 HB2 GLU 31 HB2 GLU 31 49.553 68.946 39.109 241 HB3 GLU 31 HB3 GLU 31 47.955 69.661 38.925 242 HG2 GLU 31 HG2 GLU 31 47.740 69.462 41.493 243 HG3 GLU 31 HG3 GLU 31 49.464 69.122 41.513 244 H LEU 32 H LEU 32 49.473 66.396 37.901 245 HA LEU 32 HA LEU 32 47.833 66.774 35.503 246 HB2 LEU 32 HB2 LEU 32 50.372 66.657 35.492 247 HB3 LEU 32 HB3 LEU 32 50.246 64.960 35.919 248 HG LEU 32 HG LEU 32 48.752 64.807 33.682 249 HD11 LEU 32 HD11 LEU 32 48.513 67.202 33.396 250 HD12 LEU 32 HD12 LEU 32 50.268 67.391 33.230 251 HD13 LEU 32 HD13 LEU 32 49.361 66.466 32.020 252 HD21 LEU 32 HD21 LEU 32 51.757 65.173 33.784 253 HD22 LEU 32 HD22 LEU 32 50.819 63.659 33.769 254 HD23 LEU 32 HD23 LEU 32 50.874 64.661 32.316 255 H LEU 33 H LEU 33 48.383 64.078 37.742 256 HA LEU 33 HA LEU 33 46.576 62.268 36.354 257 HB2 LEU 33 HB2 LEU 33 47.262 62.343 39.286 258 HB3 LEU 33 HB3 LEU 33 46.619 60.958 38.416 259 HG LEU 33 HG LEU 33 49.353 62.188 37.823 260 HD11 LEU 33 HD11 LEU 33 49.394 61.325 40.074 261 HD12 LEU 33 HD12 LEU 33 48.761 59.751 39.529 262 HD13 LEU 33 HD13 LEU 33 50.360 60.320 38.986 263 HD21 LEU 33 HD21 LEU 33 48.786 59.350 37.102 264 HD22 LEU 33 HD22 LEU 33 48.023 60.614 36.109 265 HD23 LEU 33 HD23 LEU 33 49.781 60.596 36.331 266 H PHE 34 H PHE 34 46.057 64.515 39.168 267 HA PHE 34 HA PHE 34 43.356 63.912 39.522 268 HB2 PHE 34 HB2 PHE 34 44.985 65.600 40.832 269 HB3 PHE 34 HB3 PHE 34 44.306 66.778 39.757 270 HD1 PHE 34 HD1 PHE 34 41.676 66.943 39.699 271 HD2 PHE 34 HD2 PHE 34 43.762 64.674 42.741 272 HE1 PHE 34 HE1 PHE 34 39.645 66.908 41.086 273 HE2 PHE 34 HE2 PHE 34 41.725 64.637 44.095 274 HZ PHE 34 HZ PHE 34 39.667 65.785 43.313 275 H GLU 35 H GLU 35 44.742 66.203 37.101 276 HA GLU 35 HA GLU 35 42.099 66.970 36.180 277 HB2 GLU 35 HB2 GLU 35 43.167 68.556 34.889 278 HB3 GLU 35 HB3 GLU 35 44.442 68.229 36.059 279 HG2 GLU 35 HG2 GLU 35 45.542 66.707 34.476 280 HG3 GLU 35 HG3 GLU 35 44.256 66.928 33.297 281 H LEU 36 H LEU 36 44.327 64.486 35.140 282 HA LEU 36 HA LEU 36 42.783 63.763 32.807 283 HB2 LEU 36 HB2 LEU 36 45.122 63.458 32.852 284 HB3 LEU 36 HB3 LEU 36 45.088 62.568 34.376 285 HG LEU 36 HG LEU 36 43.620 61.330 32.063 286 HD11 LEU 36 HD11 LEU 36 46.660 61.462 32.335 287 HD12 LEU 36 HD12 LEU 36 45.768 60.274 31.329 288 HD13 LEU 36 HD13 LEU 36 45.707 62.006 30.958 289 HD21 LEU 36 HD21 LEU 36 44.353 59.286 33.091 290 HD22 LEU 36 HD22 LEU 36 45.518 60.127 34.122 291 HD23 LEU 36 HD23 LEU 36 43.785 60.343 34.399 292 H PHE 37 H PHE 37 42.979 62.339 36.160 293 HA PHE 37 HA PHE 37 41.003 60.361 35.293 294 HB2 PHE 37 HB2 PHE 37 42.338 60.790 37.979 295 HB3 PHE 37 HB3 PHE 37 41.107 59.570 37.654 296 HD1 PHE 37 HD2 PHE 37 41.590 57.696 36.017 297 HD2 PHE 37 HD1 PHE 37 44.584 60.366 37.533 298 HE1 PHE 37 HE2 PHE 37 43.384 56.144 35.216 299 HE2 PHE 37 HE1 PHE 37 46.376 58.829 36.740 300 HZ PHE 37 HZ PHE 37 45.760 56.715 35.569 301 H HIS 38 H HIS 38 40.695 63.526 36.779 302 HA HIS 38 HA HIS 38 38.129 63.158 37.861 303 HB2 HIS 38 HB2 HIS 38 39.406 65.202 38.107 304 HB3 HIS 38 HB3 HIS 38 39.303 65.547 36.391 305 HD2 HIS 38 HD2 HIS 38 37.410 67.299 35.867 306 HE1 HIS 38 HE1 HIS 38 34.720 66.513 39.046 307 HE2 HIS 38 HE2 HIS 38 35.119 67.893 36.996 308 H GLN 39 H GLN 39 39.042 63.354 34.370 309 HA GLN 39 HA GLN 39 36.537 63.194 33.185 310 HB2 GLN 39 HB2 GLN 39 39.150 63.036 32.273 311 HB3 GLN 39 HB3 GLN 39 38.649 61.354 32.121 312 HG2 GLN 39 HG2 GLN 39 36.613 62.096 30.884 313 HG3 GLN 39 HG3 GLN 39 37.251 63.742 30.876 314 HE21 GLN 39 HE22 GLN 39 36.656 62.621 28.459 315 HE22 GLN 39 HE21 GLN 39 38.024 61.925 27.638 316 H ALA 40 H ALA 40 38.313 60.558 34.785 317 HA ALA 40 HA ALA 40 36.526 58.467 33.806 318 HB1 ALA 40 HB1 ALA 40 38.963 58.422 35.668 319 HB2 ALA 40 HB2 ALA 40 38.195 56.982 35.012 320 HB3 ALA 40 HB3 ALA 40 39.007 58.105 33.928 321 H GLY 41 H GLY 41 36.830 60.538 36.600 322 HA2 GLY 41 HA2 GLY 41 34.393 60.415 37.626 323 HA3 GLY 41 HA3 GLY 41 35.014 58.879 38.240 324 HA PRO 42 HA PRO 42 35.791 62.158 41.467 325 HB2 PRO 42 HB2 PRO 42 34.218 60.810 43.431 326 HB3 PRO 42 HB3 PRO 42 33.763 62.241 42.495 327 HG2 PRO 42 HG2 PRO 42 32.709 59.598 42.295 328 HG3 PRO 42 HG3 PRO 42 32.305 61.002 41.259 329 HD2 PRO 42 HD2 PRO 42 34.154 58.741 40.770 330 HD3 PRO 42 HD3 PRO 42 33.284 59.786 39.593 331 H VAL 43 H VAL 43 37.922 61.052 41.045 332 HA VAL 43 HA VAL 43 38.962 58.850 42.504 333 HB VAL 43 HB VAL 43 41.184 60.010 42.245 334 HG11 VAL 43 HG11 VAL 43 39.438 59.690 39.794 335 HG12 VAL 43 HG12 VAL 43 41.225 59.802 39.830 336 HG13 VAL 43 HG13 VAL 43 40.405 58.431 40.619 337 HG21 VAL 43 HG21 VAL 43 39.563 62.175 40.871 338 HG22 VAL 43 HG22 VAL 43 40.800 62.348 42.151 339 HG23 VAL 43 HG23 VAL 43 41.279 61.860 40.540 340 H ILE 44 H ILE 44 39.461 58.580 44.598 341 HA ILE 44 HA ILE 44 38.591 60.537 46.526 342 HB ILE 44 HB ILE 44 40.078 57.880 46.762 343 HG12 ILE 44 HG12 ILE 44 37.809 57.568 46.001 344 HG13 ILE 44 HG13 ILE 44 38.013 56.955 47.641 345 HG21 ILE 44 HG21 ILE 44 39.394 57.988 49.246 346 HG22 ILE 44 HG22 ILE 44 40.764 58.977 48.699 347 HG23 ILE 44 HG23 ILE 44 39.164 59.714 48.992 348 HD11 ILE 44 HD11 ILE 44 36.718 59.586 46.838 349 HD12 ILE 44 HD12 ILE 44 35.861 58.145 47.399 350 HD13 ILE 44 HD13 ILE 44 36.915 59.018 48.524 351 H LYS 45 H LYS 45 41.715 59.489 45.357 352 HA LYS 45 HA LYS 45 43.151 61.870 45.951 353 HB2 LYS 45 HB2 LYS 45 44.665 61.053 47.660 354 HB3 LYS 45 HB3 LYS 45 42.984 61.122 48.258 355 HG2 LYS 45 HG2 LYS 45 42.793 58.658 47.881 356 HG3 LYS 45 HG3 LYS 45 44.559 58.640 47.617 357 HD2 LYS 45 HD2 LYS 45 44.270 58.067 49.866 358 HD3 LYS 45 HD3 LYS 45 44.792 59.756 49.876 359 HE2 LYS 45 HE2 LYS 45 42.732 60.548 50.574 360 HE3 LYS 45 HE3 LYS 45 41.838 59.091 50.112 361 HZ1 LYS 45 HZ1 LYS 45 43.882 59.023 52.232 362 HZ2 LYS 45 HZ2 LYS 45 42.323 59.222 52.478 363 HZ3 LYS 45 HZ3 LYS 45 42.782 57.856 51.807 364 H VAL 46 H VAL 46 45.349 61.742 45.372 365 HA VAL 46 HA VAL 46 45.991 59.655 43.332 366 HB VAL 46 HB VAL 46 46.578 62.657 43.425 367 HG11 VAL 46 HG11 VAL 46 47.188 60.711 41.207 368 HG12 VAL 46 HG12 VAL 46 47.359 62.511 41.242 369 HG13 VAL 46 HG13 VAL 46 48.386 61.512 42.266 370 HG21 VAL 46 HG21 VAL 46 44.231 62.299 42.821 371 HG22 VAL 46 HG22 VAL 46 45.169 62.838 41.432 372 HG23 VAL 46 HG23 VAL 46 44.713 61.125 41.562 373 H LYS 47 H LYS 47 48.060 58.720 43.427 374 HA LYS 47 HA LYS 47 50.088 59.860 45.290 375 HB2 LYS 47 HB2 LYS 47 49.335 57.575 45.956 376 HB3 LYS 47 HB3 LYS 47 49.481 57.074 44.265 377 HG2 LYS 47 HG2 LYS 47 51.261 56.082 45.678 378 HG3 LYS 47 HG3 LYS 47 51.926 57.066 44.402 379 HD2 LYS 47 HD2 LYS 47 52.130 58.991 46.020 380 HD3 LYS 47 HD3 LYS 47 51.603 57.911 47.315 381 HE2 LYS 47 HE2 LYS 47 53.975 57.185 45.557 382 HE3 LYS 47 HE3 LYS 47 54.137 58.326 46.891 383 HZ1 LYS 47 HZ1 LYS 47 53.298 56.643 48.385 384 HZ2 LYS 47 HZ2 LYS 47 53.027 55.612 47.204 385 HZ3 LYS 47 HZ3 LYS 47 54.575 56.030 47.573 386 H ILE 48 H ILE 48 51.739 60.757 44.511 387 HA ILE 48 HA ILE 48 53.060 59.615 42.122 388 HB ILE 48 HB ILE 48 52.926 62.376 43.218 389 HG12 ILE 48 HG12 ILE 48 51.393 61.509 41.425 390 HG13 ILE 48 HG13 ILE 48 52.384 62.868 40.883 391 HG21 ILE 48 HG21 ILE 48 55.243 61.339 41.564 392 HG22 ILE 48 HG22 ILE 48 54.729 63.061 41.568 393 HG23 ILE 48 HG23 ILE 48 55.322 62.298 43.034 394 HD11 ILE 48 HD11 ILE 48 52.537 61.552 39.096 395 HD12 ILE 48 HD12 ILE 48 53.924 60.840 39.959 396 HD13 ILE 48 HD13 ILE 48 52.354 60.028 40.016 397 HA PRO 49 HA PRO 49 56.112 58.024 45.210 398 HB2 PRO 49 HB2 PRO 49 57.447 56.477 43.366 399 HB3 PRO 49 HB3 PRO 49 55.912 56.004 44.175 400 HG2 PRO 49 HG2 PRO 49 56.398 57.252 41.485 401 HG3 PRO 49 HG3 PRO 49 55.277 55.875 41.833 402 HD2 PRO 49 HD2 PRO 49 54.431 58.383 41.488 403 HD3 PRO 49 HD3 PRO 49 53.626 57.336 42.663 404 H LYS 50 H LYS 50 58.634 58.220 45.227 405 HA LYS 50 HA LYS 50 59.966 59.673 43.177 406 HB2 LYS 50 HB2 LYS 50 59.528 61.145 45.806 407 HB3 LYS 50 HB3 LYS 50 60.914 61.483 44.771 408 HG2 LYS 50 HG2 LYS 50 59.152 61.691 42.862 409 HG3 LYS 50 HG3 LYS 50 58.036 62.020 44.190 410 HD2 LYS 50 HD2 LYS 50 59.541 63.914 44.931 411 HD3 LYS 50 HD3 LYS 50 60.621 63.564 43.590 412 HE2 LYS 50 HE2 LYS 50 59.031 63.989 41.924 413 HE3 LYS 50 HE3 LYS 50 57.683 63.976 43.046 414 HZ1 LYS 50 HZ1 LYS 50 58.182 66.271 42.386 415 HZ2 LYS 50 HZ2 LYS 50 58.466 66.074 43.968 416 HZ3 LYS 50 HZ3 LYS 50 59.701 66.168 42.967 417 H ASP 51 H ASP 51 61.636 58.431 43.031 418 HA ASP 51 HA ASP 51 63.171 56.946 44.989 419 HB2 ASP 51 HB2 ASP 51 63.072 56.821 42.400 420 HB3 ASP 51 HB3 ASP 51 64.253 58.129 42.445 421 H LYS 52 H LYS 52 65.582 57.352 45.246 422 HA LYS 52 HA LYS 52 66.260 59.552 46.814 423 HB2 LYS 52 HB2 LYS 52 68.630 58.951 46.480 424 HB3 LYS 52 HB3 LYS 52 67.641 57.524 46.761 425 HG2 LYS 52 HG2 LYS 52 68.752 56.649 45.138 426 HG3 LYS 52 HG3 LYS 52 67.678 57.538 44.050 427 HD2 LYS 52 HD2 LYS 52 69.473 59.241 43.705 428 HD3 LYS 52 HD3 LYS 52 70.417 58.542 45.033 429 HE2 LYS 52 HE2 LYS 52 70.654 56.423 43.851 430 HE3 LYS 52 HE3 LYS 52 69.588 56.967 42.559 431 HZ1 LYS 52 HZ1 LYS 52 71.260 58.591 41.967 432 HZ2 LYS 52 HZ2 LYS 52 72.233 58.113 43.177 433 HZ3 LYS 52 HZ3 LYS 52 71.896 57.077 41.966 434 H ASP 53 H ASP 53 66.627 59.201 43.328 435 HA ASP 53 HA ASP 53 67.772 61.812 42.833 436 HB2 ASP 53 HB2 ASP 53 68.065 59.694 41.565 437 HB3 ASP 53 HB3 ASP 53 66.396 59.796 41.023 438 H GLY 54 H GLY 54 64.579 60.970 43.679 439 HA2 GLY 54 HA2 GLY 54 62.844 62.393 44.081 440 HA3 GLY 54 HA3 GLY 54 63.615 63.669 43.146 441 H LYS 55 H LYS 55 62.695 60.301 42.199 442 HA LYS 55 HA LYS 55 61.090 61.511 40.012 443 HB2 LYS 55 HB2 LYS 55 63.390 60.818 39.360 444 HB3 LYS 55 HB3 LYS 55 62.988 59.154 39.835 445 HG2 LYS 55 HG2 LYS 55 62.620 59.012 37.537 446 HG3 LYS 55 HG3 LYS 55 61.019 59.431 38.066 447 HD2 LYS 55 HD2 LYS 55 61.214 61.029 36.447 448 HD3 LYS 55 HD3 LYS 55 61.916 61.950 37.760 449 HE2 LYS 55 HE2 LYS 55 64.213 60.909 36.909 450 HE3 LYS 55 HE3 LYS 55 63.317 60.609 35.432 451 HZ1 LYS 55 HZ1 LYS 55 64.410 62.806 35.483 452 HZ2 LYS 55 HZ2 LYS 55 62.779 62.968 35.319 453 HZ3 LYS 55 HZ3 LYS 55 63.523 63.231 36.738 454 HA PRO 56 HA PRO 56 57.970 58.669 41.214 455 HB2 PRO 56 HB2 PRO 56 56.258 58.962 39.015 456 HB3 PRO 56 HB3 PRO 56 56.429 60.167 40.356 457 HG2 PRO 56 HG2 PRO 56 57.751 60.011 37.666 458 HG3 PRO 56 HG3 PRO 56 57.006 61.473 38.425 459 HD2 PRO 56 HD2 PRO 56 59.665 61.134 38.525 460 HD3 PRO 56 HD3 PRO 56 58.794 61.717 39.975 461 H LYS 57 H LYS 57 60.243 57.753 39.206 462 HA LYS 57 HA LYS 57 60.808 55.830 38.016 463 HB2 LYS 57 HB2 LYS 57 58.688 54.604 39.787 464 HB3 LYS 57 HB3 LYS 57 60.098 53.795 39.110 465 HG2 LYS 57 HG2 LYS 57 60.999 54.128 41.142 466 HG3 LYS 57 HG3 LYS 57 61.325 55.776 40.595 467 HD2 LYS 57 HD2 LYS 57 59.321 56.605 41.681 468 HD3 LYS 57 HD3 LYS 57 58.800 54.948 42.109 469 HE2 LYS 57 HE2 LYS 57 61.464 56.033 42.947 470 HE3 LYS 57 HE3 LYS 57 59.979 56.562 43.779 471 HZ1 LYS 57 HZ1 LYS 57 60.919 54.701 44.929 472 HZ2 LYS 57 HZ2 LYS 57 59.588 54.087 44.190 473 HZ3 LYS 57 HZ3 LYS 57 61.075 53.839 43.596 474 H GLN 58 H GLN 58 58.493 57.362 36.840 475 HA GLN 58 HA GLN 58 57.043 57.317 35.208 476 HB2 GLN 58 HB2 GLN 58 58.628 54.915 34.339 477 HB3 GLN 58 HB3 GLN 58 57.169 55.422 33.480 478 HG2 GLN 58 HG2 GLN 58 58.269 57.775 33.368 479 HG3 GLN 58 HG3 GLN 58 59.759 56.957 33.850 480 HE21 GLN 58 HE21 GLN 58 57.291 57.262 31.384 481 HE22 GLN 58 HE22 GLN 58 58.151 56.470 30.062 482 H PHE 59 H PHE 59 56.117 56.356 37.691 483 HA PHE 59 HA PHE 59 53.707 54.966 36.869 484 HB2 PHE 59 HB2 PHE 59 53.797 53.063 38.101 485 HB3 PHE 59 HB3 PHE 59 55.376 53.124 37.344 486 HD1 PHE 59 HD1 PHE 59 53.461 53.644 40.475 487 HD2 PHE 59 HD2 PHE 59 57.381 52.999 38.805 488 HE1 PHE 59 HE1 PHE 59 54.374 53.301 42.744 489 HE2 PHE 59 HE2 PHE 59 58.234 52.424 41.052 490 HZ PHE 59 HZ PHE 59 56.729 52.543 43.035 491 H ALA 60 H ALA 60 51.986 54.967 38.450 492 HA ALA 60 HA ALA 60 52.215 56.669 40.872 493 HB1 ALA 60 HB1 ALA 60 51.776 58.046 38.776 494 HB2 ALA 60 HB2 ALA 60 50.180 57.212 38.722 495 HB3 ALA 60 HB3 ALA 60 50.611 58.195 40.130 496 H PHE 61 H PHE 61 50.105 56.753 42.028 497 HA PHE 61 HA PHE 61 48.244 54.554 41.320 498 HB2 PHE 61 HB2 PHE 61 49.514 55.084 44.053 499 HB3 PHE 61 HB3 PHE 61 47.936 54.377 43.923 500 HD1 PHE 61 HD2 PHE 61 51.566 53.923 42.966 501 HD2 PHE 61 HD1 PHE 61 47.759 51.980 43.638 502 HE1 PHE 61 HE2 PHE 61 52.670 51.709 42.968 503 HE2 PHE 61 HE1 PHE 61 48.860 49.785 43.448 504 HZ PHE 61 HZ PHE 61 51.312 49.636 43.128 505 H VAL 62 H VAL 62 46.143 54.651 42.188 506 HA VAL 62 HA VAL 62 45.156 57.322 42.936 507 HB VAL 62 HB VAL 62 43.996 55.888 40.500 508 HG11 VAL 62 HG11 VAL 62 43.408 58.565 41.845 509 HG12 VAL 62 HG12 VAL 62 42.783 58.099 40.250 510 HG13 VAL 62 HG13 VAL 62 42.320 57.171 41.682 511 HG21 VAL 62 HG21 VAL 62 44.726 57.796 39.135 512 HG22 VAL 62 HG22 VAL 62 45.734 58.383 40.475 513 HG23 VAL 62 HG23 VAL 62 46.068 56.810 39.701 514 H ASN 63 H ASN 63 43.535 57.260 44.307 515 HA ASN 63 HA ASN 63 42.379 54.643 45.067 516 HB2 ASN 63 HB2 ASN 63 43.590 56.371 46.703 517 HB3 ASN 63 HB3 ASN 63 42.112 57.256 46.569 518 HD21 ASN 63 HD22 ASN 63 43.556 54.258 47.853 519 HD22 ASN 63 HD21 ASN 63 42.178 53.773 48.790 520 H PHE 64 H PHE 64 40.218 54.283 45.340 521 HA PHE 64 HA PHE 64 38.179 56.267 44.457 522 HB2 PHE 64 HB2 PHE 64 38.400 53.394 43.526 523 HB3 PHE 64 HB3 PHE 64 37.092 54.516 43.201 524 HD1 PHE 64 HD1 PHE 64 40.702 53.815 42.358 525 HD2 PHE 64 HD2 PHE 64 37.207 56.204 41.543 526 HE1 PHE 64 HE1 PHE 64 41.808 54.772 40.343 527 HE2 PHE 64 HE2 PHE 64 38.263 57.033 39.472 528 HZ PHE 64 HZ PHE 64 40.578 56.320 38.869 529 H LYS 65 H LYS 65 36.038 55.823 45.426 530 HA LYS 65 HA LYS 65 35.952 54.389 47.909 531 HB2 LYS 65 HB2 LYS 65 34.383 56.212 47.242 532 HB3 LYS 65 HB3 LYS 65 33.625 55.135 46.078 533 HG2 LYS 65 HG2 LYS 65 32.659 53.794 47.940 534 HG3 LYS 65 HG3 LYS 65 33.504 54.805 49.117 535 HD2 LYS 65 HD2 LYS 65 31.194 55.557 48.926 536 HD3 LYS 65 HD3 LYS 65 32.289 56.786 48.362 537 HE2 LYS 65 HE2 LYS 65 30.454 56.786 46.916 538 HE3 LYS 65 HE3 LYS 65 31.865 56.188 46.015 539 HZ1 LYS 65 HZ1 LYS 65 29.816 54.384 47.114 540 HZ2 LYS 65 HZ2 LYS 65 29.760 54.979 45.596 541 HZ3 LYS 65 HZ3 LYS 65 30.994 54.034 46.062 542 H HIS 66 H HIS 66 34.969 52.457 48.393 543 HA HIS 66 HA HIS 66 36.091 50.289 46.974 544 HB2 HIS 66 HB2 HIS 66 35.785 50.472 49.395 545 HB3 HIS 66 HB3 HIS 66 34.026 50.442 49.216 546 HD2 HIS 66 HD2 HIS 66 36.985 48.299 49.761 547 HE1 HIS 66 HE1 HIS 66 34.038 45.557 48.400 548 HE2 HIS 66 HE2 HIS 66 36.340 45.782 49.417 549 H GLU 67 H GLU 67 35.371 49.179 45.193 550 HA GLU 67 HA GLU 67 32.476 48.636 44.934 551 HB2 GLU 67 HB2 GLU 67 33.043 50.857 43.972 552 HB3 GLU 67 HB3 GLU 67 34.134 50.077 42.837 553 HG2 GLU 67 HG2 GLU 67 31.970 50.575 41.817 554 HG3 GLU 67 HG3 GLU 67 32.322 48.852 41.837 555 H VAL 68 H VAL 68 31.844 47.113 43.387 556 HA VAL 68 HA VAL 68 33.803 45.042 42.576 557 HB VAL 68 HB VAL 68 30.762 44.996 42.513 558 HG11 VAL 68 HG11 VAL 68 32.766 42.760 41.843 559 HG12 VAL 68 HG12 VAL 68 31.000 42.611 41.970 560 HG13 VAL 68 HG13 VAL 68 31.719 43.596 40.706 561 HG21 VAL 68 HG21 VAL 68 31.013 43.196 44.267 562 HG22 VAL 68 HG22 VAL 68 32.684 43.726 44.487 563 HG23 VAL 68 HG23 VAL 68 31.322 44.833 44.791 564 H SER 69 H SER 69 34.816 46.453 40.938 565 HA SER 69 HA SER 69 33.524 46.337 38.292 566 HB2 SER 69 HB2 SER 69 33.950 48.786 37.832 567 HB3 SER 69 HB3 SER 69 32.651 48.487 38.989 568 HG SER 69 HG SER 69 34.220 50.136 39.482 569 H VAL 70 H VAL 70 34.991 46.717 36.440 570 HA VAL 70 HA VAL 70 37.847 46.833 37.091 571 HB VAL 70 HB VAL 70 38.037 47.530 34.612 572 HG11 VAL 70 HG11 VAL 70 37.744 45.060 33.937 573 HG12 VAL 70 HG12 VAL 70 38.921 45.527 35.152 574 HG13 VAL 70 HG13 VAL 70 37.378 44.806 35.676 575 HG21 VAL 70 HG21 VAL 70 35.789 48.135 34.115 576 HG22 VAL 70 HG22 VAL 70 36.281 46.782 33.111 577 HG23 VAL 70 HG23 VAL 70 35.179 46.500 34.476 578 HA PRO 71 HA PRO 71 37.954 51.259 37.636 579 HB2 PRO 71 HB2 PRO 71 40.355 51.828 36.258 580 HB3 PRO 71 HB3 PRO 71 40.203 51.423 37.982 581 HG2 PRO 71 HG2 PRO 71 40.815 49.610 35.598 582 HG3 PRO 71 HG3 PRO 71 41.560 49.490 37.215 583 HD2 PRO 71 HD2 PRO 71 39.690 47.801 36.499 584 HD3 PRO 71 HD3 PRO 71 39.655 48.502 38.147 585 H TYR 72 H TYR 72 36.853 52.773 36.492 586 HA TYR 72 HA TYR 72 35.991 52.585 33.894 587 HB2 TYR 72 HB2 TYR 72 35.259 54.045 35.866 588 HB3 TYR 72 HB3 TYR 72 36.480 55.207 35.359 589 HD1 TYR 72 HD2 TYR 72 33.311 53.529 34.553 590 HD2 TYR 72 HD1 TYR 72 36.166 56.487 33.270 591 HE1 TYR 72 HE2 TYR 72 31.658 54.411 32.939 592 HE2 TYR 72 HE1 TYR 72 34.501 57.415 31.677 593 HH TYR 72 HH TYR 72 32.343 56.986 30.709 594 H ALA 73 H ALA 73 38.928 54.386 34.969 595 HA ALA 73 HA ALA 73 39.587 55.580 32.524 596 HB1 ALA 73 HB1 ALA 73 41.325 54.529 34.779 597 HB2 ALA 73 HB2 ALA 73 41.914 55.586 33.483 598 HB3 ALA 73 HB3 ALA 73 40.679 56.197 34.600 599 H MET 74 H MET 74 40.104 52.102 33.300 600 HA MET 74 HA MET 74 42.284 51.872 31.409 601 HB2 MET 74 HB2 MET 74 41.730 50.331 33.408 602 HB3 MET 74 HB3 MET 74 40.527 49.591 32.349 603 HG2 MET 74 HG2 MET 74 42.313 49.157 30.652 604 HG3 MET 74 HG3 MET 74 43.494 49.952 31.678 605 HE1 MET 74 HE1 MET 74 44.713 47.706 30.783 606 HE2 MET 74 HE2 MET 74 44.481 46.133 31.553 607 HE3 MET 74 HE3 MET 74 43.303 46.710 30.351 608 H ASN 75 H ASN 75 38.833 51.794 31.067 609 HA ASN 75 HA ASN 75 38.957 51.004 28.212 610 HB2 ASN 75 HB2 ASN 75 37.138 50.150 29.486 611 HB3 ASN 75 HB3 ASN 75 36.805 51.733 30.200 612 HD21 ASN 75 HD22 ASN 75 35.237 52.870 29.321 613 HD22 ASN 75 HD21 ASN 75 34.714 52.777 27.639 614 H LEU 76 H LEU 76 38.970 53.951 30.175 615 HA LEU 76 HA LEU 76 37.930 55.576 27.988 616 HB2 LEU 76 HB2 LEU 76 37.249 55.623 30.412 617 HB3 LEU 76 HB3 LEU 76 38.787 56.383 30.786 618 HG LEU 76 HG LEU 76 36.258 57.359 29.582 619 HD11 LEU 76 HD11 LEU 76 38.374 58.911 31.126 620 HD12 LEU 76 HD12 LEU 76 36.660 59.300 30.900 621 HD13 LEU 76 HD13 LEU 76 37.126 57.885 31.884 622 HD21 LEU 76 HD21 LEU 76 37.613 57.891 27.677 623 HD22 LEU 76 HD22 LEU 76 37.088 59.338 28.550 624 HD23 LEU 76 HD23 LEU 76 38.769 58.816 28.716 625 H LEU 77 H LEU 77 40.856 55.732 30.056 626 HA LEU 77 HA LEU 77 42.179 57.533 28.120 627 HB2 LEU 77 HB2 LEU 77 43.148 56.640 30.867 628 HB3 LEU 77 HB3 LEU 77 43.893 57.809 29.741 629 HG LEU 77 HG LEU 77 43.116 59.111 31.383 630 HD11 LEU 77 HD11 LEU 77 40.732 59.067 29.515 631 HD12 LEU 77 HD12 LEU 77 41.149 60.360 30.671 632 HD13 LEU 77 HD13 LEU 77 42.214 60.030 29.310 633 HD21 LEU 77 HD21 LEU 77 40.767 58.891 32.427 634 HD22 LEU 77 HD22 LEU 77 40.751 57.275 31.678 635 HD23 LEU 77 HD23 LEU 77 42.001 57.752 32.881 636 H ASN 78 H ASN 78 43.860 55.104 30.037 637 HA ASN 78 HA ASN 78 45.757 53.928 29.291 638 HB2 ASN 78 HB2 ASN 78 43.765 52.528 29.837 639 HB3 ASN 78 HB3 ASN 78 43.324 52.539 28.110 640 HD21 ASN 78 HD22 ASN 78 45.364 51.642 26.710 641 HD22 ASN 78 HD21 ASN 78 45.776 50.041 27.311 642 H GLY 79 H GLY 79 46.723 55.519 27.887 643 HA2 GLY 79 HA2 GLY 79 48.182 55.042 25.972 644 HA3 GLY 79 HA3 GLY 79 46.755 54.644 25.015 645 H ILE 80 H ILE 80 46.794 57.327 27.298 646 HA ILE 80 HA ILE 80 46.860 59.299 25.083 647 HB ILE 80 HB ILE 80 44.913 60.470 25.888 648 HG12 ILE 80 HG12 ILE 80 43.764 59.278 28.018 649 HG13 ILE 80 HG13 ILE 80 45.506 59.128 28.410 650 HG21 ILE 80 HG21 ILE 80 44.051 57.577 26.282 651 HG22 ILE 80 HG22 ILE 80 43.143 58.953 25.628 652 HG23 ILE 80 HG23 ILE 80 44.455 58.228 24.693 653 HD11 ILE 80 HD11 ILE 80 44.194 61.772 27.632 654 HD12 ILE 80 HD12 ILE 80 44.122 61.150 29.277 655 HD13 ILE 80 HD13 ILE 80 45.693 61.528 28.575 656 H LYS 81 H LYS 81 47.538 61.338 25.416 657 HA LYS 81 HA LYS 81 48.331 62.433 27.987 658 HB2 LYS 81 HB2 LYS 81 50.838 62.679 27.110 659 HB3 LYS 81 HB3 LYS 81 50.277 61.228 27.864 660 HG2 LYS 81 HG2 LYS 81 51.542 60.633 25.962 661 HG3 LYS 81 HG3 LYS 81 49.859 60.199 25.675 662 HD2 LYS 81 HD2 LYS 81 49.595 62.270 24.223 663 HD3 LYS 81 HD3 LYS 81 51.297 62.647 24.567 664 HE2 LYS 81 HE2 LYS 81 51.843 60.371 23.569 665 HE3 LYS 81 HE3 LYS 81 50.168 60.255 23.035 666 HZ1 LYS 81 HZ1 LYS 81 51.803 61.168 21.436 667 HZ2 LYS 81 HZ2 LYS 81 50.476 62.118 21.610 668 HZ3 LYS 81 HZ3 LYS 81 51.872 62.538 22.324 669 H LEU 82 H LEU 82 49.611 64.593 27.508 670 HA LEU 82 HA LEU 82 49.488 65.532 24.671 671 HB2 LEU 82 HB2 LEU 82 48.967 67.083 27.236 672 HB3 LEU 82 HB3 LEU 82 49.410 67.923 25.760 673 HG LEU 82 HG LEU 82 46.894 66.242 26.066 674 HD11 LEU 82 HD11 LEU 82 45.751 68.453 26.219 675 HD12 LEU 82 HD12 LEU 82 46.878 68.169 27.554 676 HD13 LEU 82 HD13 LEU 82 47.344 69.239 26.223 677 HD21 LEU 82 HD21 LEU 82 47.565 68.352 23.948 678 HD22 LEU 82 HD22 LEU 82 47.961 66.642 23.699 679 HD23 LEU 82 HD23 LEU 82 46.276 67.145 23.874 680 H TYR 83 H TYR 83 51.229 65.531 27.727 681 HA TYR 83 HA TYR 83 53.534 66.969 26.930 682 HB2 TYR 83 HB2 TYR 83 53.288 64.667 28.953 683 HB3 TYR 83 HB3 TYR 83 54.687 65.690 28.755 684 HD1 TYR 83 HD1 TYR 83 52.761 68.321 28.606 685 HD2 TYR 83 HD2 TYR 83 53.488 65.033 31.310 686 HE1 TYR 83 HE1 TYR 83 52.439 69.836 30.560 687 HE2 TYR 83 HE2 TYR 83 53.180 66.587 33.257 688 HH TYR 83 HH TYR 83 52.329 69.891 32.877 689 H GLY 84 H GLY 84 53.280 63.359 27.109 690 HA2 GLY 84 HA2 GLY 84 54.369 62.951 24.511 691 HA3 GLY 84 HA3 GLY 84 55.701 62.900 25.650 692 H ARG 85 H ARG 85 54.539 61.531 27.831 693 HA ARG 85 HA ARG 85 54.568 58.785 26.655 694 HB2 ARG 85 HB2 ARG 85 55.334 59.661 29.480 695 HB3 ARG 85 HB3 ARG 85 55.103 58.021 28.964 696 HG2 ARG 85 HG2 ARG 85 57.333 58.108 28.563 697 HG3 ARG 85 HG3 ARG 85 56.774 58.700 26.984 698 HD2 ARG 85 HD2 ARG 85 57.095 61.008 27.719 699 HD3 ARG 85 HD3 ARG 85 57.740 60.414 29.274 700 HE ARG 85 HE ARG 85 59.178 59.172 27.132 701 HH11 ARG 85 HH11 ARG 85 58.721 62.224 28.794 702 HH12 ARG 85 HH12 ARG 85 60.245 62.865 28.284 703 HH21 ARG 85 HH21 ARG 85 61.360 59.894 27.054 704 HH22 ARG 85 HH22 ARG 85 61.729 61.536 27.469 705 HA PRO 86 HA PRO 86 50.296 59.060 27.434 706 HB2 PRO 86 HB2 PRO 86 49.529 56.582 26.364 707 HB3 PRO 86 HB3 PRO 86 49.897 58.003 25.332 708 HG2 PRO 86 HG2 PRO 86 51.709 55.703 26.142 709 HG3 PRO 86 HG3 PRO 86 51.480 56.412 24.511 710 HD2 PRO 86 HD2 PRO 86 53.585 57.127 26.059 711 HD3 PRO 86 HD3 PRO 86 52.685 58.380 25.145 712 H ILE 87 H ILE 87 49.132 58.693 29.168 713 HA ILE 87 HA ILE 87 50.038 56.949 31.217 714 HB ILE 87 HB ILE 87 47.557 58.595 30.708 715 HG12 ILE 87 HG12 ILE 87 49.617 59.582 31.620 716 HG13 ILE 87 HG13 ILE 87 48.163 59.859 32.566 717 HG21 ILE 87 HG21 ILE 87 47.591 56.272 32.610 718 HG22 ILE 87 HG22 ILE 87 46.669 57.735 33.023 719 HG23 ILE 87 HG23 ILE 87 46.364 56.884 31.497 720 HD11 ILE 87 HD11 ILE 87 50.128 57.683 33.330 721 HD12 ILE 87 HD12 ILE 87 50.238 59.376 33.883 722 HD13 ILE 87 HD13 ILE 87 48.811 58.407 34.290 723 H LYS 88 H LYS 88 49.995 54.976 31.394 724 HA LYS 88 HA LYS 88 48.001 53.227 30.058 725 HB2 LYS 88 HB2 LYS 88 50.371 52.786 29.578 726 HB3 LYS 88 HB3 LYS 88 50.756 52.740 31.303 727 HG2 LYS 88 HG2 LYS 88 50.608 50.517 30.313 728 HG3 LYS 88 HG3 LYS 88 49.481 50.757 31.658 729 HD2 LYS 88 HD2 LYS 88 47.595 50.943 30.207 730 HD3 LYS 88 HD3 LYS 88 48.629 51.145 28.771 731 HE2 LYS 88 HE2 LYS 88 48.953 48.884 28.590 732 HE3 LYS 88 HE3 LYS 88 49.297 48.735 30.313 733 HZ1 LYS 88 HZ1 LYS 88 47.363 47.533 29.727 734 HZ2 LYS 88 HZ2 LYS 88 46.822 48.772 30.673 735 HZ3 LYS 88 HZ3 LYS 88 46.669 48.771 29.037 736 H ILE 89 H ILE 89 46.362 52.549 31.252 737 HA ILE 89 HA ILE 89 46.711 52.339 34.214 738 HB ILE 89 HB ILE 89 44.128 52.234 32.614 739 HG12 ILE 89 HG12 ILE 89 43.701 54.208 34.368 740 HG13 ILE 89 HG13 ILE 89 45.444 54.330 34.409 741 HG21 ILE 89 HG21 ILE 89 44.705 51.973 35.580 742 HG22 ILE 89 HG22 ILE 89 43.071 52.127 34.885 743 HG23 ILE 89 HG23 ILE 89 44.031 50.705 34.526 744 HD11 ILE 89 HD11 ILE 89 43.524 54.725 32.088 745 HD12 ILE 89 HD12 ILE 89 44.559 55.948 32.825 746 HD13 ILE 89 HD13 ILE 89 45.292 54.678 31.827 747 H GLN 90 H GLN 90 46.665 50.440 35.259 748 HA GLN 90 HA GLN 90 46.311 47.988 33.630 749 HB2 GLN 90 HB2 GLN 90 48.283 48.237 35.903 750 HB3 GLN 90 HB3 GLN 90 48.020 46.867 34.815 751 HG2 GLN 90 HG2 GLN 90 48.626 48.396 32.868 752 HG3 GLN 90 HG3 GLN 90 49.079 49.613 34.043 753 HE21 GLN 90 HE22 GLN 90 50.359 47.321 31.962 754 HE22 GLN 90 HE21 GLN 90 51.810 46.885 32.836 755 H PHE 91 H PHE 91 45.291 46.403 34.441 756 HA PHE 91 HA PHE 91 44.419 46.290 37.227 757 HB2 PHE 91 HB2 PHE 91 42.633 47.599 36.252 758 HB3 PHE 91 HB3 PHE 91 42.319 46.363 35.035 759 HD1 PHE 91 HD2 PHE 91 42.354 46.996 38.713 760 HD2 PHE 91 HD1 PHE 91 40.937 44.424 35.570 761 HE1 PHE 91 HE2 PHE 91 40.750 45.948 40.290 762 HE2 PHE 91 HE1 PHE 91 39.336 43.371 37.151 763 HZ PHE 91 HZ PHE 91 39.222 44.159 39.512 764 H ARG 92 H ARG 92 43.890 44.189 37.941 765 HA ARG 92 HA ARG 92 43.707 41.922 36.041 766 HB2 ARG 92 HB2 ARG 92 45.590 42.153 38.420 767 HB3 ARG 92 HB3 ARG 92 45.271 40.643 37.563 768 HG2 ARG 92 HG2 ARG 92 46.751 43.085 36.467 769 HG3 ARG 92 HG3 ARG 92 47.458 41.580 37.009 770 HD2 ARG 92 HD2 ARG 92 45.472 41.703 34.725 771 HD3 ARG 92 HD3 ARG 92 47.220 41.905 34.500 772 HE ARG 92 HE ARG 92 47.016 39.491 35.886 773 HH11 ARG 92 HH11 ARG 92 46.014 40.765 32.778 774 HH12 ARG 92 HH12 ARG 92 45.482 39.176 32.253 775 HH21 ARG 92 HH21 ARG 92 46.372 37.604 35.145 776 HH22 ARG 92 HH22 ARG 92 45.770 37.369 33.516 777 H SER 93 H SER 93 42.180 40.365 36.801 778 HA SER 93 HA SER 93 40.311 41.422 38.762 779 HB2 SER 93 HB2 SER 93 40.359 38.847 37.184 780 HB3 SER 93 HB3 SER 93 38.951 39.528 38.009 781 HG SER 93 HG SER 93 38.967 40.145 35.870 782 H GLY 94 H GLY 94 39.952 40.696 40.797 783 HA2 GLY 94 HA2 GLY 94 41.623 38.753 42.098 784 HA3 GLY 94 HA3 GLY 94 40.109 39.404 42.727 785 H SER 95 H SER 95 41.476 36.671 42.320 786 HA SER 95 HA SER 95 39.769 34.968 40.763 787 HB2 SER 95 HB2 SER 95 41.074 33.222 41.738 788 HB3 SER 95 HB3 SER 95 42.167 34.595 41.611 789 HG SER 95 HG SER 95 42.190 33.672 43.634 790 H SER 96 H SER 96 39.403 36.305 44.021 791 HA SER 96 HA SER 96 38.195 35.719 45.832 792 HB2 SER 96 HB2 SER 96 36.146 34.718 43.849 793 HB3 SER 96 HB3 SER 96 35.834 35.237 45.510 794 HG SER 96 HG SER 96 35.397 37.025 44.529 795 H HIS 97 H HIS 97 40.083 33.569 44.986 796 HA HIS 97 HA HIS 97 38.720 31.036 45.306 797 HB2 HIS 97 HB2 HIS 97 40.885 31.326 44.034 798 HB3 HIS 97 HB3 HIS 97 41.688 31.581 45.591 799 HD2 HIS 97 HD2 HIS 97 42.175 29.613 47.142 800 HE1 HIS 97 HE1 HIS 97 40.344 26.461 44.969 801 HE2 HIS 97 HE2 HIS 97 41.719 27.043 47.015 802 H ALA 98 H ALA 98 40.241 33.282 47.571 803 HA ALA 98 HA ALA 98 40.133 31.459 49.857 804 HB1 ALA 98 HB1 ALA 98 40.799 33.497 51.111 805 HB2 ALA 98 HB2 ALA 98 41.837 33.071 49.763 806 HB3 ALA 98 HB3 ALA 98 40.656 34.418 49.593 807 HA PRO 99 HA PRO 99 35.936 32.153 50.946 808 HB2 PRO 99 HB2 PRO 99 35.990 31.768 53.690 809 HB3 PRO 99 HB3 PRO 99 36.073 30.465 52.455 810 HG2 PRO 99 HG2 PRO 99 38.279 31.721 54.092 811 HG3 PRO 99 HG3 PRO 99 38.074 30.021 53.572 812 HD2 PRO 99 HD2 PRO 99 39.730 31.912 52.351 813 HD3 PRO 99 HD3 PRO 99 39.071 30.459 51.527 814 H GLN 100 H GLN 100 34.576 33.852 51.439 815 HA GLN 100 HA GLN 100 35.543 36.286 52.645 816 HB2 GLN 100 HB2 GLN 100 33.836 36.302 51.011 817 HB3 GLN 100 HB3 GLN 100 32.859 35.107 51.906 818 HG2 GLN 100 HG2 GLN 100 32.571 36.804 53.714 819 HG3 GLN 100 HG3 GLN 100 33.388 37.981 52.667 820 HE21 GLN 100 HE22 GLN 100 30.781 38.510 53.446 821 HE22 GLN 100 HE21 GLN 100 29.704 38.231 52.094 822 H ASP 101 H ASP 101 33.813 33.407 53.785 823 HA ASP 101 HA ASP 101 34.289 34.177 56.623 824 HB2 ASP 101 HB2 ASP 101 32.051 34.897 55.829 825 HB3 ASP 101 HB3 ASP 101 31.644 33.217 55.502 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 65.111 36.348 33.198 2 H2 GLY 1 H2 GLY 1 65.237 37.135 31.741 3 H3 GLY 1 H3 GLY 1 65.564 35.562 31.838 4 HA2 GLY 1 HA2 GLY 1 63.585 35.470 30.877 5 HA3 GLY 1 HA3 GLY 1 63.326 35.042 32.568 6 H SER 2 H SER 2 61.257 35.763 31.191 7 HA SER 2 HA SER 2 60.386 38.318 30.731 8 HB2 SER 2 HB2 SER 2 59.236 36.229 30.153 9 HB3 SER 2 HB3 SER 2 58.649 36.107 31.836 10 HG SER 2 HG SER 2 57.537 37.383 29.943 11 H GLU 3 H GLU 3 59.523 39.905 31.688 12 HA GLU 3 HA GLU 3 59.377 41.575 33.086 13 HB2 GLU 3 HB2 GLU 3 57.449 39.624 34.350 14 HB3 GLU 3 HB3 GLU 3 57.430 41.383 34.628 15 HG2 GLU 3 HG2 GLU 3 56.886 41.867 32.338 16 HG3 GLU 3 HG3 GLU 3 57.221 40.224 31.819 17 H PHE 4 H PHE 4 61.668 40.267 33.808 18 HA PHE 4 HA PHE 4 61.919 39.790 36.582 19 HB2 PHE 4 HB2 PHE 4 63.199 38.871 34.725 20 HB3 PHE 4 HB3 PHE 4 63.914 40.460 34.428 21 HD1 PHE 4 HD2 PHE 4 63.931 37.461 36.592 22 HD2 PHE 4 HD1 PHE 4 65.747 41.278 35.779 23 HE1 PHE 4 HE2 PHE 4 65.880 36.833 37.990 24 HE2 PHE 4 HE1 PHE 4 67.774 40.574 37.023 25 HZ PHE 4 HZ PHE 4 67.785 38.441 38.264 26 H GLU 5 H GLU 5 62.256 42.881 34.801 27 HA GLU 5 HA GLU 5 63.217 44.338 37.149 28 HB2 GLU 5 HB2 GLU 5 63.385 46.210 35.827 29 HB3 GLU 5 HB3 GLU 5 63.812 44.873 34.751 30 HG2 GLU 5 HG2 GLU 5 61.473 44.795 33.985 31 HG3 GLU 5 HG3 GLU 5 61.177 46.333 34.823 32 H LEU 6 H LEU 6 60.236 43.028 36.807 33 HA LEU 6 HA LEU 6 58.720 45.080 38.413 34 HB2 LEU 6 HB2 LEU 6 57.820 42.860 36.589 35 HB3 LEU 6 HB3 LEU 6 56.838 43.537 37.866 36 HG LEU 6 HG LEU 6 56.121 44.458 35.904 37 HD11 LEU 6 HD11 LEU 6 56.299 46.180 37.750 38 HD12 LEU 6 HD12 LEU 6 57.860 46.669 37.073 39 HD13 LEU 6 HD13 LEU 6 56.350 46.845 36.127 40 HD21 LEU 6 HD21 LEU 6 57.419 45.595 34.211 41 HD22 LEU 6 HD22 LEU 6 58.899 45.490 35.181 42 HD23 LEU 6 HD23 LEU 6 58.145 44.018 34.516 43 H ARG 7 H ARG 7 57.366 43.932 40.191 44 HA ARG 7 HA ARG 7 58.804 41.710 41.445 45 HB2 ARG 7 HB2 ARG 7 56.216 43.149 42.207 46 HB3 ARG 7 HB3 ARG 7 56.985 41.844 43.112 47 HG2 ARG 7 HG2 ARG 7 57.620 43.715 44.233 48 HG3 ARG 7 HG3 ARG 7 59.056 43.265 43.240 49 HD2 ARG 7 HD2 ARG 7 58.741 45.062 41.759 50 HD3 ARG 7 HD3 ARG 7 57.116 45.419 42.355 51 HE ARG 7 HE ARG 7 59.713 45.980 43.785 52 HH11 ARG 7 HH11 ARG 7 56.196 46.344 43.848 53 HH12 ARG 7 HH12 ARG 7 56.354 47.701 44.967 54 HH21 ARG 7 HH21 ARG 7 59.649 47.908 45.079 55 HH22 ARG 7 HH22 ARG 7 58.097 48.161 45.858 56 H ARG 8 H ARG 8 58.020 39.635 41.420 57 HA ARG 8 HA ARG 8 55.855 39.004 39.453 58 HB2 ARG 8 HB2 ARG 8 58.553 37.725 39.934 59 HB3 ARG 8 HB3 ARG 8 57.290 37.101 38.839 60 HG2 ARG 8 HG2 ARG 8 57.430 39.363 37.630 61 HG3 ARG 8 HG3 ARG 8 58.830 39.739 38.565 62 HD2 ARG 8 HD2 ARG 8 58.534 37.297 36.754 63 HD3 ARG 8 HD3 ARG 8 59.437 38.773 36.363 64 HE ARG 8 HE ARG 8 60.547 37.772 38.756 65 HH11 ARG 8 HH11 ARG 8 60.591 36.861 35.269 66 HH12 ARG 8 HH12 ARG 8 61.756 35.608 35.598 67 HH21 ARG 8 HH21 ARG 8 62.111 36.278 38.861 68 HH22 ARG 8 HH22 ARG 8 62.847 35.566 37.430 69 H GLN 9 H GLN 9 54.304 38.931 40.974 70 HA GLN 9 HA GLN 9 53.863 36.316 42.319 71 HB2 GLN 9 HB2 GLN 9 53.163 39.016 43.523 72 HB3 GLN 9 HB3 GLN 9 52.857 37.433 44.215 73 HG2 GLN 9 HG2 GLN 9 54.745 37.858 45.412 74 HG3 GLN 9 HG3 GLN 9 55.496 37.135 43.992 75 HE21 GLN 9 HE22 GLN 9 57.389 38.181 44.572 76 HE22 GLN 9 HE21 GLN 9 57.596 39.938 44.515 77 H GLN 10 H GLN 10 51.559 36.224 43.100 78 HA GLN 10 HA GLN 10 49.935 36.178 40.781 79 HB2 GLN 10 HB2 GLN 10 48.247 35.238 42.192 80 HB3 GLN 10 HB3 GLN 10 49.832 34.521 42.608 81 HG2 GLN 10 HG2 GLN 10 49.842 36.289 44.542 82 HG3 GLN 10 HG3 GLN 10 48.130 36.511 44.139 83 HE21 GLN 10 HE22 GLN 10 46.624 35.068 44.912 84 HE22 GLN 10 HE21 GLN 10 47.074 33.537 45.644 85 H ALA 11 H ALA 11 50.376 38.736 43.028 86 HA ALA 11 HA ALA 11 48.375 40.398 41.790 87 HB1 ALA 11 HB1 ALA 11 48.063 39.555 44.711 88 HB2 ALA 11 HB2 ALA 11 47.018 40.688 43.816 89 HB3 ALA 11 HB3 ALA 11 47.060 38.951 43.385 90 H LEU 12 H LEU 12 48.201 42.507 43.218 91 HA LEU 12 HA LEU 12 50.769 43.671 43.955 92 HB2 LEU 12 HB2 LEU 12 47.948 44.518 44.672 93 HB3 LEU 12 HB3 LEU 12 49.372 45.538 44.757 94 HG LEU 12 HG LEU 12 48.078 44.421 42.229 95 HD11 LEU 12 HD11 LEU 12 47.991 47.311 43.207 96 HD12 LEU 12 HD12 LEU 12 47.358 46.639 41.687 97 HD13 LEU 12 HD13 LEU 12 46.658 46.148 43.228 98 HD21 LEU 12 HD21 LEU 12 49.434 45.926 40.918 99 HD22 LEU 12 HD22 LEU 12 50.316 46.486 42.350 100 HD23 LEU 12 HD23 LEU 12 50.449 44.787 41.797 101 H ALA 13 H ALA 13 51.644 43.991 46.024 102 HA ALA 13 HA ALA 13 49.874 43.536 48.354 103 HB1 ALA 13 HB1 ALA 13 51.637 42.211 49.508 104 HB2 ALA 13 HB2 ALA 13 51.185 41.420 47.988 105 HB3 ALA 13 HB3 ALA 13 52.686 42.368 48.078 106 H GLU 14 H GLU 14 52.477 45.348 47.002 107 HA GLU 14 HA GLU 14 52.877 47.023 49.384 108 HB2 GLU 14 HB2 GLU 14 54.573 46.334 47.606 109 HB3 GLU 14 HB3 GLU 14 53.752 47.431 46.516 110 HG2 GLU 14 HG2 GLU 14 54.335 49.310 48.131 111 HG3 GLU 14 HG3 GLU 14 55.236 48.146 49.104 112 H ALA 15 H ALA 15 50.407 46.684 47.226 113 HA ALA 15 HA ALA 15 48.919 48.787 48.493 114 HB1 ALA 15 HB1 ALA 15 48.683 48.758 45.450 115 HB2 ALA 15 HB2 ALA 15 47.854 49.781 46.611 116 HB3 ALA 15 HB3 ALA 15 49.576 50.004 46.373 117 H ASP 16 H ASP 16 46.481 48.249 48.150 118 HA ASP 16 HA ASP 16 45.840 45.719 46.766 119 HB2 ASP 16 HB2 ASP 16 46.362 45.068 49.156 120 HB3 ASP 16 HB3 ASP 16 45.087 46.143 49.687 121 H ARG 17 H ARG 17 44.503 48.425 48.701 122 HA ARG 17 HA ARG 17 41.881 48.189 47.396 123 HB2 ARG 17 HB2 ARG 17 42.735 50.128 49.559 124 HB3 ARG 17 HB3 ARG 17 41.102 49.741 49.051 125 HG2 ARG 17 HG2 ARG 17 43.054 47.847 50.419 126 HG3 ARG 17 HG3 ARG 17 41.708 48.665 51.186 127 HD2 ARG 17 HD2 ARG 17 40.324 47.344 49.252 128 HD3 ARG 17 HD3 ARG 17 41.704 46.259 49.408 129 HE ARG 17 HE ARG 17 39.790 47.185 51.560 130 HH11 ARG 17 HH11 ARG 17 42.211 44.759 50.679 131 HH12 ARG 17 HH12 ARG 17 41.544 43.692 51.906 132 HH21 ARG 17 HH21 ARG 17 38.898 45.495 52.773 133 HH22 ARG 17 HH22 ARG 17 39.892 44.091 53.061 134 H THR 18 H THR 18 44.343 49.273 45.880 135 HA THR 18 HA THR 18 43.258 51.871 44.923 136 HB THR 18 HB THR 18 45.912 51.564 46.362 137 HG1 THR 18 HG1 THR 18 44.912 52.653 47.863 138 HG21 THR 18 HG21 THR 18 44.651 54.144 45.380 139 HG22 THR 18 HG22 THR 18 46.314 53.881 45.956 140 HG23 THR 18 HG23 THR 18 45.840 53.321 44.350 141 H LEU 19 H LEU 19 44.139 52.600 42.939 142 HA LEU 19 HA LEU 19 44.519 50.255 41.308 143 HB2 LEU 19 HB2 LEU 19 42.739 52.069 41.078 144 HB3 LEU 19 HB3 LEU 19 44.006 53.170 40.587 145 HG LEU 19 HG LEU 19 44.452 51.840 38.534 146 HD11 LEU 19 HD11 LEU 19 42.209 50.054 39.580 147 HD12 LEU 19 HD12 LEU 19 42.996 49.920 37.965 148 HD13 LEU 19 HD13 LEU 19 43.909 49.597 39.395 149 HD21 LEU 19 HD21 LEU 19 42.916 53.689 38.533 150 HD22 LEU 19 HD22 LEU 19 42.289 52.450 37.443 151 HD23 LEU 19 HD23 LEU 19 41.580 52.663 39.072 152 H PHE 20 H PHE 20 46.377 49.714 40.191 153 HA PHE 20 HA PHE 20 48.682 51.454 40.318 154 HB2 PHE 20 HB2 PHE 20 48.618 48.841 40.149 155 HB3 PHE 20 HB3 PHE 20 48.474 49.109 38.425 156 HD1 PHE 20 HD1 PHE 20 50.396 50.606 37.295 157 HD2 PHE 20 HD2 PHE 20 50.674 48.822 41.211 158 HE1 PHE 20 HE1 PHE 20 52.843 50.903 37.259 159 HE2 PHE 20 HE2 PHE 20 53.141 49.139 41.166 160 HZ PHE 20 HZ PHE 20 54.219 50.213 39.209 161 H VAL 21 H VAL 21 49.476 52.889 38.869 162 HA VAL 21 HA VAL 21 48.524 52.796 36.069 163 HB VAL 21 HB VAL 21 49.139 55.426 37.413 164 HG11 VAL 21 HG11 VAL 21 47.488 54.841 34.916 165 HG12 VAL 21 HG12 VAL 21 48.141 56.418 35.481 166 HG13 VAL 21 HG13 VAL 21 49.211 55.196 34.848 167 HG21 VAL 21 HG21 VAL 21 47.086 54.656 38.599 168 HG22 VAL 21 HG22 VAL 21 46.795 56.040 37.560 169 HG23 VAL 21 HG23 VAL 21 46.261 54.425 37.060 170 H GLY 22 H GLY 22 50.080 52.916 34.665 171 HA2 GLY 22 HA2 GLY 22 52.899 53.441 35.483 172 HA3 GLY 22 HA3 GLY 22 52.477 51.962 34.724 173 H ASN 23 H ASN 23 54.211 53.205 33.365 174 HA ASN 23 HA ASN 23 54.868 54.034 31.324 175 HB2 ASN 23 HB2 ASN 23 52.621 52.805 30.594 176 HB3 ASN 23 HB3 ASN 23 52.008 54.439 30.446 177 HD21 ASN 23 HD21 ASN 23 51.738 54.422 28.198 178 HD22 ASN 23 HD22 ASN 23 53.096 54.291 27.078 179 H LEU 24 H LEU 24 54.279 55.643 33.650 180 HA LEU 24 HA LEU 24 53.142 58.186 32.953 181 HB2 LEU 24 HB2 LEU 24 55.176 57.543 35.113 182 HB3 LEU 24 HB3 LEU 24 54.362 59.049 34.946 183 HG LEU 24 HG LEU 24 53.638 57.249 36.714 184 HD11 LEU 24 HD11 LEU 24 51.618 58.911 35.207 185 HD12 LEU 24 HD12 LEU 24 51.331 58.133 36.782 186 HD13 LEU 24 HD13 LEU 24 52.548 59.376 36.679 187 HD21 LEU 24 HD21 LEU 24 53.061 55.493 35.116 188 HD22 LEU 24 HD22 LEU 24 51.619 55.985 36.056 189 HD23 LEU 24 HD23 LEU 24 51.801 56.517 34.386 190 H GLU 25 H GLU 25 54.168 60.165 32.995 191 HA GLU 25 HA GLU 25 56.384 60.163 31.088 192 HB2 GLU 25 HB2 GLU 25 54.273 61.978 31.494 193 HB3 GLU 25 HB3 GLU 25 55.694 62.803 32.169 194 HG2 GLU 25 HG2 GLU 25 55.880 61.467 29.485 195 HG3 GLU 25 HG3 GLU 25 55.064 62.992 29.557 196 H THR 26 H THR 26 58.179 61.577 31.373 197 HA THR 26 HA THR 26 59.757 60.978 33.701 198 HB THR 26 HB THR 26 61.536 62.075 32.659 199 HG1 THR 26 HG1 THR 26 59.985 63.163 30.630 200 HG21 THR 26 HG21 THR 26 59.828 60.747 30.480 201 HG22 THR 26 HG22 THR 26 61.597 60.936 30.457 202 HG23 THR 26 HG23 THR 26 60.804 59.908 31.656 203 H LYS 27 H LYS 27 57.764 63.745 32.754 204 HA LYS 27 HA LYS 27 58.148 64.863 35.499 205 HB2 LYS 27 HB2 LYS 27 57.444 66.302 32.935 206 HB3 LYS 27 HB3 LYS 27 57.667 67.074 34.481 207 HG2 LYS 27 HG2 LYS 27 59.945 65.401 33.305 208 HG3 LYS 27 HG3 LYS 27 59.627 67.041 32.765 209 HD2 LYS 27 HD2 LYS 27 60.119 66.266 35.691 210 HD3 LYS 27 HD3 LYS 27 61.382 66.792 34.569 211 HE2 LYS 27 HE2 LYS 27 60.179 68.875 34.156 212 HE3 LYS 27 HE3 LYS 27 58.936 68.416 35.333 213 HZ1 LYS 27 HZ1 LYS 27 60.870 68.155 36.947 214 HZ2 LYS 27 HZ2 LYS 27 61.795 68.916 35.882 215 HZ3 LYS 27 HZ3 LYS 27 60.558 69.688 36.570 216 H VAL 28 H VAL 28 55.994 62.840 34.709 217 HA VAL 28 HA VAL 28 53.418 64.048 34.893 218 HB VAL 28 HB VAL 28 53.949 61.566 34.559 219 HG11 VAL 28 HG11 VAL 28 55.673 61.407 36.323 220 HG12 VAL 28 HG12 VAL 28 54.444 61.670 37.567 221 HG13 VAL 28 HG13 VAL 28 54.443 60.186 36.613 222 HG21 VAL 28 HG21 VAL 28 51.703 62.738 35.413 223 HG22 VAL 28 HG22 VAL 28 51.841 61.017 35.211 224 HG23 VAL 28 HG23 VAL 28 52.025 61.733 36.835 225 H THR 29 H THR 29 52.006 64.187 36.845 226 HA THR 29 HA THR 29 53.122 64.409 39.545 227 HB THR 29 HB THR 29 52.061 66.820 39.653 228 HG1 THR 29 HG1 THR 29 52.446 67.884 37.697 229 HG21 THR 29 HG21 THR 29 54.818 66.530 38.404 230 HG22 THR 29 HG22 THR 29 54.220 67.794 39.506 231 HG23 THR 29 HG23 THR 29 54.427 66.141 40.086 232 H GLU 30 H GLU 30 51.508 64.863 41.098 233 HA GLU 30 HA GLU 30 49.210 63.266 40.864 234 HB2 GLU 30 HB2 GLU 30 49.841 65.552 42.815 235 HB3 GLU 30 HB3 GLU 30 48.652 64.282 43.099 236 HG2 GLU 30 HG2 GLU 30 50.553 62.613 42.774 237 HG3 GLU 30 HG3 GLU 30 51.659 63.986 42.870 238 H GLU 31 H GLU 31 49.752 66.686 40.386 239 HA GLU 31 HA GLU 31 47.017 67.589 40.093 240 HB2 GLU 31 HB2 GLU 31 49.619 68.689 38.991 241 HB3 GLU 31 HB3 GLU 31 48.114 69.592 39.114 242 HG2 GLU 31 HG2 GLU 31 48.287 69.456 41.647 243 HG3 GLU 31 HG3 GLU 31 49.795 68.617 41.475 244 H LEU 32 H LEU 32 49.415 66.271 37.767 245 HA LEU 32 HA LEU 32 47.607 66.651 35.501 246 HB2 LEU 32 HB2 LEU 32 50.040 66.607 35.100 247 HB3 LEU 32 HB3 LEU 32 50.197 65.066 35.923 248 HG LEU 32 HG LEU 32 49.001 63.882 34.200 249 HD11 LEU 32 HD11 LEU 32 47.409 65.626 33.424 250 HD12 LEU 32 HD12 LEU 32 48.754 66.559 32.747 251 HD13 LEU 32 HD13 LEU 32 48.335 64.947 32.092 252 HD21 LEU 32 HD21 LEU 32 50.689 63.863 32.644 253 HD22 LEU 32 HD22 LEU 32 50.949 65.644 32.713 254 HD23 LEU 32 HD23 LEU 32 51.522 64.632 34.026 255 H LEU 33 H LEU 33 48.428 63.944 37.674 256 HA LEU 33 HA LEU 33 46.716 61.994 36.418 257 HB2 LEU 33 HB2 LEU 33 47.717 62.407 39.236 258 HB3 LEU 33 HB3 LEU 33 46.932 60.894 38.750 259 HG LEU 33 HG LEU 33 49.617 62.007 37.875 260 HD11 LEU 33 HD11 LEU 33 48.978 59.518 39.484 261 HD12 LEU 33 HD12 LEU 33 50.578 60.058 38.930 262 HD13 LEU 33 HD13 LEU 33 49.664 61.061 40.058 263 HD21 LEU 33 HD21 LEU 33 50.075 60.201 36.502 264 HD22 LEU 33 HD22 LEU 33 48.602 59.311 36.912 265 HD23 LEU 33 HD23 LEU 33 48.517 60.815 35.950 266 H PHE 34 H PHE 34 46.006 64.084 39.291 267 HA PHE 34 HA PHE 34 43.399 63.255 39.620 268 HB2 PHE 34 HB2 PHE 34 44.813 64.830 41.103 269 HB3 PHE 34 HB3 PHE 34 44.216 66.132 40.105 270 HD1 PHE 34 HD1 PHE 34 41.769 66.710 40.130 271 HD2 PHE 34 HD2 PHE 34 43.373 63.624 42.664 272 HE1 PHE 34 HE1 PHE 34 39.669 66.706 41.494 273 HE2 PHE 34 HE2 PHE 34 41.170 63.453 43.835 274 HZ PHE 34 HZ PHE 34 39.339 64.987 43.242 275 H GLU 35 H GLU 35 44.475 65.947 37.388 276 HA GLU 35 HA GLU 35 41.748 66.480 36.600 277 HB2 GLU 35 HB2 GLU 35 42.592 67.957 34.953 278 HB3 GLU 35 HB3 GLU 35 43.613 68.175 36.385 279 HG2 GLU 35 HG2 GLU 35 45.425 67.005 35.418 280 HG3 GLU 35 HG3 GLU 35 44.452 66.478 34.036 281 H LEU 36 H LEU 36 44.152 64.192 35.410 282 HA LEU 36 HA LEU 36 42.740 63.570 32.959 283 HB2 LEU 36 HB2 LEU 36 45.178 63.363 33.170 284 HB3 LEU 36 HB3 LEU 36 45.016 62.285 34.525 285 HG LEU 36 HG LEU 36 43.827 61.328 31.906 286 HD11 LEU 36 HD11 LEU 36 46.777 61.189 32.649 287 HD12 LEU 36 HD12 LEU 36 45.975 60.382 31.267 288 HD13 LEU 36 HD13 LEU 36 46.130 62.141 31.300 289 HD21 LEU 36 HD21 LEU 36 45.358 60.058 34.209 290 HD22 LEU 36 HD22 LEU 36 43.606 60.051 34.066 291 HD23 LEU 36 HD23 LEU 36 44.570 59.184 32.859 292 H PHE 37 H PHE 37 42.771 62.196 36.249 293 HA PHE 37 HA PHE 37 40.818 60.145 35.403 294 HB2 PHE 37 HB2 PHE 37 42.212 60.491 38.072 295 HB3 PHE 37 HB3 PHE 37 41.178 59.141 37.558 296 HD1 PHE 37 HD2 PHE 37 41.960 57.754 35.534 297 HD2 PHE 37 HD1 PHE 37 44.554 60.215 37.923 298 HE1 PHE 37 HE2 PHE 37 43.942 56.475 34.716 299 HE2 PHE 37 HE1 PHE 37 46.518 59.010 37.068 300 HZ PHE 37 HZ PHE 37 46.215 57.104 35.457 301 H HIS 38 H HIS 38 40.584 63.236 36.935 302 HA HIS 38 HA HIS 38 37.961 63.053 38.085 303 HB2 HIS 38 HB2 HIS 38 39.294 64.967 38.458 304 HB3 HIS 38 HB3 HIS 38 39.688 65.175 36.782 305 HD2 HIS 38 HD2 HIS 38 38.289 66.827 35.413 306 HE1 HIS 38 HE1 HIS 38 35.556 68.001 38.452 307 HE2 HIS 38 HE2 HIS 38 36.412 68.542 36.172 308 H GLN 39 H GLN 39 39.031 63.233 34.703 309 HA GLN 39 HA GLN 39 36.471 63.166 33.436 310 HB2 GLN 39 HB2 GLN 39 39.138 61.956 32.578 311 HB3 GLN 39 HB3 GLN 39 37.744 62.129 31.540 312 HG2 GLN 39 HG2 GLN 39 39.198 64.439 32.910 313 HG3 GLN 39 HG3 GLN 39 39.345 63.985 31.195 314 HE21 GLN 39 HE22 GLN 39 37.096 63.976 29.981 315 HE22 GLN 39 HE21 GLN 39 35.954 65.202 30.506 316 H ALA 40 H ALA 40 38.487 60.564 34.825 317 HA ALA 40 HA ALA 40 36.710 58.467 33.835 318 HB1 ALA 40 HB1 ALA 40 39.078 58.140 35.697 319 HB2 ALA 40 HB2 ALA 40 38.398 56.972 34.527 320 HB3 ALA 40 HB3 ALA 40 39.314 58.362 33.960 321 H GLY 41 H GLY 41 36.405 60.569 36.348 322 HA2 GLY 41 HA2 GLY 41 34.092 60.127 37.260 323 HA3 GLY 41 HA3 GLY 41 34.780 58.672 37.988 324 HA PRO 42 HA PRO 42 35.056 61.900 41.314 325 HB2 PRO 42 HB2 PRO 42 33.978 60.169 43.208 326 HB3 PRO 42 HB3 PRO 42 33.095 61.445 42.331 327 HG2 PRO 42 HG2 PRO 42 33.258 58.487 41.699 328 HG3 PRO 42 HG3 PRO 42 31.821 59.566 41.621 329 HD2 PRO 42 HD2 PRO 42 33.131 58.899 39.390 330 HD3 PRO 42 HD3 PRO 42 32.545 60.575 39.644 331 H VAL 43 H VAL 43 37.343 61.647 41.323 332 HA VAL 43 HA VAL 43 38.642 59.227 42.397 333 HB VAL 43 HB VAL 43 39.669 61.885 41.354 334 HG11 VAL 43 HG11 VAL 43 41.206 59.641 42.688 335 HG12 VAL 43 HG12 VAL 43 41.958 60.750 41.517 336 HG13 VAL 43 HG13 VAL 43 41.221 61.394 42.997 337 HG21 VAL 43 HG21 VAL 43 40.670 60.655 39.572 338 HG22 VAL 43 HG22 VAL 43 40.139 59.097 40.216 339 HG23 VAL 43 HG23 VAL 43 38.936 60.292 39.625 340 H ILE 44 H ILE 44 39.311 58.966 44.318 341 HA ILE 44 HA ILE 44 38.535 60.839 46.444 342 HB ILE 44 HB ILE 44 39.773 58.054 46.519 343 HG12 ILE 44 HG12 ILE 44 37.633 57.747 45.589 344 HG13 ILE 44 HG13 ILE 44 37.407 57.379 47.281 345 HG21 ILE 44 HG21 ILE 44 38.645 59.635 48.842 346 HG22 ILE 44 HG22 ILE 44 39.251 57.957 48.861 347 HG23 ILE 44 HG23 ILE 44 40.359 59.253 48.525 348 HD11 ILE 44 HD11 ILE 44 36.469 59.650 47.664 349 HD12 ILE 44 HD12 ILE 44 36.568 59.971 45.913 350 HD13 ILE 44 HD13 ILE 44 35.517 58.692 46.514 351 H LYS 45 H LYS 45 41.580 59.485 45.179 352 HA LYS 45 HA LYS 45 43.151 61.747 45.953 353 HB2 LYS 45 HB2 LYS 45 44.503 60.755 47.683 354 HB3 LYS 45 HB3 LYS 45 42.807 60.911 48.163 355 HG2 LYS 45 HG2 LYS 45 42.458 58.470 47.666 356 HG3 LYS 45 HG3 LYS 45 44.223 58.343 47.441 357 HD2 LYS 45 HD2 LYS 45 43.589 57.658 49.675 358 HD3 LYS 45 HD3 LYS 45 44.554 59.158 49.708 359 HE2 LYS 45 HE2 LYS 45 42.103 60.284 49.813 360 HE3 LYS 45 HE3 LYS 45 41.640 58.706 50.427 361 HZ1 LYS 45 HZ1 LYS 45 42.292 60.262 52.183 362 HZ2 LYS 45 HZ2 LYS 45 43.275 58.945 52.155 363 HZ3 LYS 45 HZ3 LYS 45 43.777 60.378 51.558 364 H VAL 46 H VAL 46 45.220 61.633 45.073 365 HA VAL 46 HA VAL 46 46.103 59.305 43.434 366 HB VAL 46 HB VAL 46 46.672 62.294 43.299 367 HG11 VAL 46 HG11 VAL 46 48.577 61.033 42.431 368 HG12 VAL 46 HG12 VAL 46 47.483 60.071 41.404 369 HG13 VAL 46 HG13 VAL 46 47.720 61.835 41.130 370 HG21 VAL 46 HG21 VAL 46 44.369 61.809 42.520 371 HG22 VAL 46 HG22 VAL 46 45.434 62.398 41.235 372 HG23 VAL 46 HG23 VAL 46 45.016 60.669 41.318 373 H LYS 47 H LYS 47 48.205 58.768 43.457 374 HA LYS 47 HA LYS 47 50.073 59.931 45.453 375 HB2 LYS 47 HB2 LYS 47 49.388 57.892 46.437 376 HB3 LYS 47 HB3 LYS 47 49.305 57.060 44.877 377 HG2 LYS 47 HG2 LYS 47 51.194 56.237 46.179 378 HG3 LYS 47 HG3 LYS 47 51.757 56.999 44.704 379 HD2 LYS 47 HD2 LYS 47 52.353 59.063 45.999 380 HD3 LYS 47 HD3 LYS 47 51.657 58.311 47.450 381 HE2 LYS 47 HE2 LYS 47 53.216 56.393 47.154 382 HE3 LYS 47 HE3 LYS 47 54.065 57.304 45.888 383 HZ1 LYS 47 HZ1 LYS 47 55.162 57.867 47.886 384 HZ2 LYS 47 HZ2 LYS 47 54.153 59.096 47.707 385 HZ3 LYS 47 HZ3 LYS 47 53.761 57.919 48.756 386 H ILE 48 H ILE 48 51.666 60.809 44.370 387 HA ILE 48 HA ILE 48 52.954 59.336 42.150 388 HB ILE 48 HB ILE 48 53.016 62.159 43.145 389 HG12 ILE 48 HG12 ILE 48 51.569 61.282 41.233 390 HG13 ILE 48 HG13 ILE 48 52.504 62.757 40.968 391 HG21 ILE 48 HG21 ILE 48 55.316 60.949 41.599 392 HG22 ILE 48 HG22 ILE 48 55.020 62.697 41.748 393 HG23 ILE 48 HG23 ILE 48 55.369 61.741 43.182 394 HD11 ILE 48 HD11 ILE 48 54.178 61.469 39.671 395 HD12 ILE 48 HD12 ILE 48 53.236 59.984 39.927 396 HD13 ILE 48 HD13 ILE 48 52.554 61.336 38.988 397 HA PRO 49 HA PRO 49 56.114 58.034 45.310 398 HB2 PRO 49 HB2 PRO 49 57.623 56.600 43.511 399 HB3 PRO 49 HB3 PRO 49 56.187 55.921 44.301 400 HG2 PRO 49 HG2 PRO 49 56.460 57.211 41.572 401 HG3 PRO 49 HG3 PRO 49 55.530 55.722 41.965 402 HD2 PRO 49 HD2 PRO 49 54.420 58.136 41.594 403 HD3 PRO 49 HD3 PRO 49 53.715 57.011 42.797 404 H LYS 50 H LYS 50 58.572 58.436 45.274 405 HA LYS 50 HA LYS 50 59.737 59.938 43.133 406 HB2 LYS 50 HB2 LYS 50 58.882 61.415 45.608 407 HB3 LYS 50 HB3 LYS 50 60.433 61.841 44.911 408 HG2 LYS 50 HG2 LYS 50 58.994 61.725 42.604 409 HG3 LYS 50 HG3 LYS 50 57.702 62.159 43.711 410 HD2 LYS 50 HD2 LYS 50 58.998 64.169 44.396 411 HD3 LYS 50 HD3 LYS 50 60.333 63.678 43.383 412 HE2 LYS 50 HE2 LYS 50 58.838 63.679 41.349 413 HE3 LYS 50 HE3 LYS 50 57.480 64.180 42.341 414 HZ1 LYS 50 HZ1 LYS 50 59.909 65.761 41.827 415 HZ2 LYS 50 HZ2 LYS 50 58.436 66.077 41.226 416 HZ3 LYS 50 HZ3 LYS 50 58.725 66.224 42.825 417 H ASP 51 H ASP 51 61.353 58.950 42.897 418 HA ASP 51 HA ASP 51 63.188 57.510 44.425 419 HB2 ASP 51 HB2 ASP 51 62.977 57.705 41.851 420 HB3 ASP 51 HB3 ASP 51 63.852 59.233 41.993 421 H LYS 52 H LYS 52 65.535 57.959 44.697 422 HA LYS 52 HA LYS 52 66.083 60.184 46.416 423 HB2 LYS 52 HB2 LYS 52 68.403 59.558 46.227 424 HB3 LYS 52 HB3 LYS 52 67.421 58.099 46.466 425 HG2 LYS 52 HG2 LYS 52 68.702 57.275 44.870 426 HG3 LYS 52 HG3 LYS 52 67.471 58.007 43.832 427 HD2 LYS 52 HD2 LYS 52 69.065 60.007 43.558 428 HD3 LYS 52 HD3 LYS 52 70.249 59.089 44.520 429 HE2 LYS 52 HE2 LYS 52 70.153 57.221 42.961 430 HE3 LYS 52 HE3 LYS 52 68.894 58.045 42.012 431 HZ1 LYS 52 HZ1 LYS 52 70.567 59.804 41.626 432 HZ2 LYS 52 HZ2 LYS 52 71.679 58.925 42.405 433 HZ3 LYS 52 HZ3 LYS 52 71.013 58.384 41.028 434 H ASP 53 H ASP 53 66.236 59.744 42.913 435 HA ASP 53 HA ASP 53 67.401 62.331 42.466 436 HB2 ASP 53 HB2 ASP 53 67.723 60.254 41.024 437 HB3 ASP 53 HB3 ASP 53 66.066 60.420 40.476 438 H GLY 54 H GLY 54 64.284 61.576 43.327 439 HA2 GLY 54 HA2 GLY 54 62.444 62.940 43.625 440 HA3 GLY 54 HA3 GLY 54 63.126 64.201 42.623 441 H LYS 55 H LYS 55 62.547 60.720 41.906 442 HA LYS 55 HA LYS 55 60.719 61.617 39.763 443 HB2 LYS 55 HB2 LYS 55 63.057 61.011 39.024 444 HB3 LYS 55 HB3 LYS 55 62.691 59.326 39.510 445 HG2 LYS 55 HG2 LYS 55 62.342 59.339 37.190 446 HG3 LYS 55 HG3 LYS 55 60.733 59.436 37.873 447 HD2 LYS 55 HD2 LYS 55 60.659 61.073 36.239 448 HD3 LYS 55 HD3 LYS 55 61.066 62.054 37.657 449 HE2 LYS 55 HE2 LYS 55 63.507 61.830 37.037 450 HE3 LYS 55 HE3 LYS 55 62.989 61.154 35.497 451 HZ1 LYS 55 HZ1 LYS 55 62.815 63.871 36.533 452 HZ2 LYS 55 HZ2 LYS 55 62.992 63.409 35.000 453 HZ3 LYS 55 HZ3 LYS 55 61.518 63.396 35.646 454 HA PRO 56 HA PRO 56 58.017 58.503 41.174 455 HB2 PRO 56 HB2 PRO 56 56.209 58.553 38.932 456 HB3 PRO 56 HB3 PRO 56 56.186 59.734 40.306 457 HG2 PRO 56 HG2 PRO 56 57.497 59.762 37.611 458 HG3 PRO 56 HG3 PRO 56 56.567 61.102 38.414 459 HD2 PRO 56 HD2 PRO 56 59.279 61.058 38.331 460 HD3 PRO 56 HD3 PRO 56 58.436 61.651 39.776 461 H LYS 57 H LYS 57 60.292 57.724 39.124 462 HA LYS 57 HA LYS 57 60.933 55.790 37.984 463 HB2 LYS 57 HB2 LYS 57 58.981 54.494 39.891 464 HB3 LYS 57 HB3 LYS 57 60.414 53.777 39.143 465 HG2 LYS 57 HG2 LYS 57 61.420 54.274 41.129 466 HG3 LYS 57 HG3 LYS 57 61.543 55.906 40.523 467 HD2 LYS 57 HD2 LYS 57 59.425 56.552 41.702 468 HD3 LYS 57 HD3 LYS 57 59.197 54.870 42.216 469 HE2 LYS 57 HE2 LYS 57 61.736 56.304 42.896 470 HE3 LYS 57 HE3 LYS 57 60.205 56.795 43.678 471 HZ1 LYS 57 HZ1 LYS 57 61.314 55.054 44.975 472 HZ2 LYS 57 HZ2 LYS 57 59.884 54.592 44.432 473 HZ3 LYS 57 HZ3 LYS 57 61.203 54.017 43.689 474 H GLN 58 H GLN 58 58.627 57.162 36.702 475 HA GLN 58 HA GLN 58 57.078 57.005 35.197 476 HB2 GLN 58 HB2 GLN 58 58.683 54.601 34.422 477 HB3 GLN 58 HB3 GLN 58 57.218 55.074 33.535 478 HG2 GLN 58 HG2 GLN 58 58.359 57.396 33.286 479 HG3 GLN 58 HG3 GLN 58 59.824 56.553 33.758 480 HE21 GLN 58 HE21 GLN 58 57.314 56.700 31.095 481 HE22 GLN 58 HE22 GLN 58 58.287 55.682 30.023 482 H PHE 59 H PHE 59 56.199 56.049 37.689 483 HA PHE 59 HA PHE 59 53.738 54.618 36.938 484 HB2 PHE 59 HB2 PHE 59 53.827 52.850 38.143 485 HB3 PHE 59 HB3 PHE 59 55.473 52.954 37.564 486 HD1 PHE 59 HD1 PHE 59 53.279 53.183 40.602 487 HD2 PHE 59 HD2 PHE 59 57.349 53.147 39.159 488 HE1 PHE 59 HE1 PHE 59 54.111 53.002 42.918 489 HE2 PHE 59 HE2 PHE 59 58.146 52.810 41.500 490 HZ PHE 59 HZ PHE 59 56.537 52.738 43.362 491 H ALA 60 H ALA 60 52.043 54.763 38.684 492 HA ALA 60 HA ALA 60 52.481 56.373 41.040 493 HB1 ALA 60 HB1 ALA 60 50.377 57.270 39.029 494 HB2 ALA 60 HB2 ALA 60 50.916 58.156 40.450 495 HB3 ALA 60 HB3 ALA 60 52.009 58.005 39.065 496 H PHE 61 H PHE 61 50.146 56.609 42.140 497 HA PHE 61 HA PHE 61 48.301 54.397 41.411 498 HB2 PHE 61 HB2 PHE 61 49.531 55.016 44.103 499 HB3 PHE 61 HB3 PHE 61 47.914 54.356 44.038 500 HD1 PHE 61 HD2 PHE 61 51.482 53.781 43.448 501 HD2 PHE 61 HD1 PHE 61 47.567 51.989 43.316 502 HE1 PHE 61 HE2 PHE 61 52.519 51.530 43.435 503 HE2 PHE 61 HE1 PHE 61 48.596 49.737 43.363 504 HZ PHE 61 HZ PHE 61 51.082 49.505 43.505 505 H VAL 62 H VAL 62 46.111 54.612 41.996 506 HA VAL 62 HA VAL 62 45.130 57.292 42.805 507 HB VAL 62 HB VAL 62 44.041 55.824 40.376 508 HG11 VAL 62 HG11 VAL 62 43.461 58.609 41.476 509 HG12 VAL 62 HG12 VAL 62 42.828 57.949 39.952 510 HG13 VAL 62 HG13 VAL 62 42.350 57.224 41.478 511 HG21 VAL 62 HG21 VAL 62 45.807 58.308 40.341 512 HG22 VAL 62 HG22 VAL 62 46.233 56.693 39.737 513 HG23 VAL 62 HG23 VAL 62 44.925 57.590 38.968 514 H ASN 63 H ASN 63 43.506 57.158 44.177 515 HA ASN 63 HA ASN 63 42.097 54.598 44.728 516 HB2 ASN 63 HB2 ASN 63 43.218 56.210 46.520 517 HB3 ASN 63 HB3 ASN 63 41.799 57.176 46.252 518 HD21 ASN 63 HD22 ASN 63 42.906 54.007 47.536 519 HD22 ASN 63 HD21 ASN 63 41.393 53.677 48.328 520 H PHE 64 H PHE 64 39.796 54.365 44.415 521 HA PHE 64 HA PHE 64 38.224 56.832 43.847 522 HB2 PHE 64 HB2 PHE 64 37.360 56.139 41.834 523 HB3 PHE 64 HB3 PHE 64 39.102 56.094 41.683 524 HD1 PHE 64 HD2 PHE 64 40.289 53.775 41.985 525 HD2 PHE 64 HD1 PHE 64 36.028 54.219 41.614 526 HE1 PHE 64 HE2 PHE 64 40.111 51.411 41.247 527 HE2 PHE 64 HE1 PHE 64 35.829 51.827 40.991 528 HZ PHE 64 HZ PHE 64 37.873 50.461 40.656 529 H LYS 65 H LYS 65 38.313 54.109 45.730 530 HA LYS 65 HA LYS 65 35.561 53.802 46.363 531 HB2 LYS 65 HB2 LYS 65 35.584 52.781 44.054 532 HB3 LYS 65 HB3 LYS 65 36.600 51.479 44.703 533 HG2 LYS 65 HG2 LYS 65 34.812 50.751 46.164 534 HG3 LYS 65 HG3 LYS 65 33.841 52.197 45.786 535 HD2 LYS 65 HD2 LYS 65 33.732 51.482 43.403 536 HD3 LYS 65 HD3 LYS 65 34.653 50.019 43.818 537 HE2 LYS 65 HE2 LYS 65 32.556 49.159 43.870 538 HE3 LYS 65 HE3 LYS 65 32.695 49.637 45.541 539 HZ1 LYS 65 HZ1 LYS 65 31.568 51.753 44.876 540 HZ2 LYS 65 HZ2 LYS 65 31.254 51.118 43.393 541 HZ3 LYS 65 HZ3 LYS 65 30.665 50.449 44.745 542 H HIS 66 H HIS 66 35.265 52.040 48.085 543 HA HIS 66 HA HIS 66 37.617 51.729 49.719 544 HB2 HIS 66 HB2 HIS 66 34.954 50.314 50.100 545 HB3 HIS 66 HB3 HIS 66 36.229 50.566 51.286 546 HD2 HIS 66 HD2 HIS 66 36.936 53.566 51.015 547 HE1 HIS 66 HE1 HIS 66 32.849 54.277 51.911 548 HE2 HIS 66 HE2 HIS 66 35.144 55.332 51.764 549 H GLU 67 H GLU 67 35.828 49.218 47.886 550 HA GLU 67 HA GLU 67 38.330 47.571 47.893 551 HB2 GLU 67 HB2 GLU 67 35.396 46.906 47.890 552 HB3 GLU 67 HB3 GLU 67 36.561 45.824 47.089 553 HG2 GLU 67 HG2 GLU 67 37.865 45.647 49.163 554 HG3 GLU 67 HG3 GLU 67 36.782 46.789 49.970 555 H VAL 68 H VAL 68 38.930 46.777 45.901 556 HA VAL 68 HA VAL 68 38.288 48.642 43.723 557 HB VAL 68 HB VAL 68 40.478 46.506 43.768 558 HG11 VAL 68 HG11 VAL 68 39.614 48.563 41.731 559 HG12 VAL 68 HG12 VAL 68 41.252 47.868 41.753 560 HG13 VAL 68 HG13 VAL 68 39.857 46.804 41.570 561 HG21 VAL 68 HG21 VAL 68 42.037 48.330 44.018 562 HG22 VAL 68 HG22 VAL 68 40.727 49.540 44.061 563 HG23 VAL 68 HG23 VAL 68 40.910 48.363 45.376 564 H SER 69 H SER 69 36.435 48.189 43.007 565 HA SER 69 HA SER 69 35.550 45.527 42.211 566 HB2 SER 69 HB2 SER 69 33.751 46.809 41.026 567 HB3 SER 69 HB3 SER 69 33.780 47.043 42.773 568 HG SER 69 HG SER 69 33.721 49.016 41.466 569 H VAL 70 H VAL 70 35.707 48.369 40.060 570 HA VAL 70 HA VAL 70 37.701 47.225 38.266 571 HB VAL 70 HB VAL 70 35.869 45.785 37.844 572 HG11 VAL 70 HG11 VAL 70 33.936 47.172 38.639 573 HG12 VAL 70 HG12 VAL 70 34.008 48.042 37.088 574 HG13 VAL 70 HG13 VAL 70 33.687 46.289 37.142 575 HG21 VAL 70 HG21 VAL 70 37.160 46.704 35.824 576 HG22 VAL 70 HG22 VAL 70 35.608 45.876 35.567 577 HG23 VAL 70 HG23 VAL 70 35.688 47.651 35.481 578 HA PRO 71 HA PRO 71 37.656 51.671 37.658 579 HB2 PRO 71 HB2 PRO 71 40.000 52.137 36.398 580 HB3 PRO 71 HB3 PRO 71 39.968 51.382 38.021 581 HG2 PRO 71 HG2 PRO 71 40.143 50.042 35.318 582 HG3 PRO 71 HG3 PRO 71 41.209 49.741 36.716 583 HD2 PRO 71 HD2 PRO 71 39.062 48.163 36.185 584 HD3 PRO 71 HD3 PRO 71 39.574 48.541 37.871 585 H TYR 72 H TYR 72 37.112 53.359 36.122 586 HA TYR 72 HA TYR 72 36.209 52.573 33.469 587 HB2 TYR 72 HB2 TYR 72 35.262 54.529 34.945 588 HB3 TYR 72 HB3 TYR 72 36.689 55.404 34.439 589 HD1 TYR 72 HD2 TYR 72 35.074 53.272 31.864 590 HD2 TYR 72 HD1 TYR 72 35.104 57.123 33.761 591 HE1 TYR 72 HE2 TYR 72 33.808 54.264 29.929 592 HE2 TYR 72 HE1 TYR 72 34.035 58.142 31.749 593 HH TYR 72 HH TYR 72 33.282 57.676 29.580 594 H ALA 73 H ALA 73 38.982 54.359 34.761 595 HA ALA 73 HA ALA 73 39.822 55.715 32.544 596 HB1 ALA 73 HB1 ALA 73 41.357 54.716 34.973 597 HB2 ALA 73 HB2 ALA 73 42.061 55.797 33.746 598 HB3 ALA 73 HB3 ALA 73 40.661 56.315 34.694 599 H MET 74 H MET 74 41.026 52.466 33.481 600 HA MET 74 HA MET 74 42.907 51.962 31.533 601 HB2 MET 74 HB2 MET 74 42.327 49.588 31.809 602 HB3 MET 74 HB3 MET 74 42.260 50.430 33.379 603 HG2 MET 74 HG2 MET 74 40.421 49.111 33.527 604 HG3 MET 74 HG3 MET 74 39.646 50.526 32.794 605 HE1 MET 74 HE1 MET 74 38.229 48.004 33.153 606 HE2 MET 74 HE2 MET 74 37.445 49.043 31.953 607 HE3 MET 74 HE3 MET 74 37.739 47.322 31.592 608 H ASN 75 H ASN 75 39.522 52.135 30.968 609 HA ASN 75 HA ASN 75 39.848 51.329 28.101 610 HB2 ASN 75 HB2 ASN 75 38.247 50.096 29.505 611 HB3 ASN 75 HB3 ASN 75 37.485 51.640 29.959 612 HD21 ASN 75 HD22 ASN 75 36.306 52.860 28.344 613 HD22 ASN 75 HD21 ASN 75 35.495 51.882 27.133 614 H LEU 76 H LEU 76 38.862 54.006 30.313 615 HA LEU 76 HA LEU 76 37.693 55.612 28.342 616 HB2 LEU 76 HB2 LEU 76 37.485 56.000 30.862 617 HB3 LEU 76 HB3 LEU 76 39.170 56.518 30.860 618 HG LEU 76 HG LEU 76 38.759 58.452 29.552 619 HD11 LEU 76 HD11 LEU 76 37.150 57.778 27.952 620 HD12 LEU 76 HD12 LEU 76 35.937 57.403 29.196 621 HD13 LEU 76 HD13 LEU 76 36.415 59.092 28.866 622 HD21 LEU 76 HD21 LEU 76 38.279 58.614 31.978 623 HD22 LEU 76 HD22 LEU 76 37.410 59.781 30.980 624 HD23 LEU 76 HD23 LEU 76 36.545 58.370 31.616 625 H LEU 77 H LEU 77 40.908 55.820 29.835 626 HA LEU 77 HA LEU 77 41.902 57.839 27.924 627 HB2 LEU 77 HB2 LEU 77 43.157 56.705 30.469 628 HB3 LEU 77 HB3 LEU 77 43.832 57.887 29.402 629 HG LEU 77 HG LEU 77 43.203 59.049 31.228 630 HD11 LEU 77 HD11 LEU 77 40.802 59.478 29.368 631 HD12 LEU 77 HD12 LEU 77 41.102 60.428 30.823 632 HD13 LEU 77 HD13 LEU 77 42.249 60.485 29.498 633 HD21 LEU 77 HD21 LEU 77 41.778 57.202 32.233 634 HD22 LEU 77 HD22 LEU 77 41.410 58.869 32.649 635 HD23 LEU 77 HD23 LEU 77 40.385 58.066 31.459 636 H ASN 78 H ASN 78 43.659 55.179 29.463 637 HA ASN 78 HA ASN 78 45.363 53.928 28.583 638 HB2 ASN 78 HB2 ASN 78 43.742 52.419 28.971 639 HB3 ASN 78 HB3 ASN 78 42.664 52.939 27.669 640 HD21 ASN 78 HD22 ASN 78 46.052 51.662 27.897 641 HD22 ASN 78 HD21 ASN 78 45.707 50.417 26.695 642 H GLY 79 H GLY 79 46.415 55.820 27.390 643 HA2 GLY 79 HA2 GLY 79 47.859 55.582 25.386 644 HA3 GLY 79 HA3 GLY 79 46.424 55.299 24.403 645 H ILE 80 H ILE 80 46.857 57.683 26.928 646 HA ILE 80 HA ILE 80 46.786 59.942 25.003 647 HB ILE 80 HB ILE 80 44.985 61.051 26.113 648 HG12 ILE 80 HG12 ILE 80 43.813 59.324 27.916 649 HG13 ILE 80 HG13 ILE 80 45.579 59.198 28.288 650 HG21 ILE 80 HG21 ILE 80 44.131 58.164 25.768 651 HG22 ILE 80 HG22 ILE 80 43.160 59.640 25.535 652 HG23 ILE 80 HG23 ILE 80 44.498 59.272 24.429 653 HD11 ILE 80 HD11 ILE 80 43.896 61.706 28.141 654 HD12 ILE 80 HD12 ILE 80 44.414 60.922 29.640 655 HD13 ILE 80 HD13 ILE 80 45.640 61.644 28.578 656 H LYS 81 H LYS 81 47.685 61.739 25.571 657 HA LYS 81 HA LYS 81 48.604 62.490 28.207 658 HB2 LYS 81 HB2 LYS 81 51.095 62.557 27.412 659 HB3 LYS 81 HB3 LYS 81 50.387 61.075 28.004 660 HG2 LYS 81 HG2 LYS 81 51.663 60.493 26.070 661 HG3 LYS 81 HG3 LYS 81 49.974 60.360 25.629 662 HD2 LYS 81 HD2 LYS 81 50.210 62.661 24.466 663 HD3 LYS 81 HD3 LYS 81 51.881 62.665 25.047 664 HE2 LYS 81 HE2 LYS 81 52.208 60.489 23.735 665 HE3 LYS 81 HE3 LYS 81 50.556 60.589 23.205 666 HZ1 LYS 81 HZ1 LYS 81 52.366 61.507 21.684 667 HZ2 LYS 81 HZ2 LYS 81 51.020 62.295 21.757 668 HZ3 LYS 81 HZ3 LYS 81 52.317 62.876 22.549 669 H LEU 82 H LEU 82 49.842 64.503 28.159 670 HA LEU 82 HA LEU 82 49.908 66.108 25.636 671 HB2 LEU 82 HB2 LEU 82 48.249 67.025 27.185 672 HB3 LEU 82 HB3 LEU 82 49.381 66.913 28.519 673 HG LEU 82 HG LEU 82 50.808 68.671 27.198 674 HD11 LEU 82 HD11 LEU 82 48.083 69.123 25.886 675 HD12 LEU 82 HD12 LEU 82 49.555 70.032 25.575 676 HD13 LEU 82 HD13 LEU 82 49.467 68.333 25.084 677 HD21 LEU 82 HD21 LEU 82 48.103 69.252 28.445 678 HD22 LEU 82 HD22 LEU 82 49.672 69.113 29.265 679 HD23 LEU 82 HD23 LEU 82 49.364 70.476 28.165 680 H TYR 83 H TYR 83 51.636 65.044 28.535 681 HA TYR 83 HA TYR 83 53.916 66.790 28.227 682 HB2 TYR 83 HB2 TYR 83 53.163 64.473 30.038 683 HB3 TYR 83 HB3 TYR 83 54.758 65.126 30.074 684 HD1 TYR 83 HD1 TYR 83 51.688 67.222 29.684 685 HD2 TYR 83 HD2 TYR 83 54.720 65.829 32.421 686 HE1 TYR 83 HE1 TYR 83 50.889 68.834 31.393 687 HE2 TYR 83 HE2 TYR 83 53.814 67.367 34.169 688 HH TYR 83 HH TYR 83 51.270 69.646 33.565 689 H GLY 84 H GLY 84 53.173 63.602 27.089 690 HA2 GLY 84 HA2 GLY 84 55.091 63.267 25.123 691 HA3 GLY 84 HA3 GLY 84 56.005 62.896 26.562 692 H ARG 85 H ARG 85 54.619 61.309 28.080 693 HA ARG 85 HA ARG 85 54.412 58.760 26.490 694 HB2 ARG 85 HB2 ARG 85 55.208 59.179 29.385 695 HB3 ARG 85 HB3 ARG 85 54.885 57.649 28.557 696 HG2 ARG 85 HG2 ARG 85 57.149 57.782 28.499 697 HG3 ARG 85 HG3 ARG 85 56.643 58.255 26.869 698 HD2 ARG 85 HD2 ARG 85 57.069 60.620 27.449 699 HD3 ARG 85 HD3 ARG 85 57.576 60.129 29.074 700 HE ARG 85 HE ARG 85 59.049 58.496 27.307 701 HH11 ARG 85 HH11 ARG 85 59.023 61.918 28.138 702 HH12 ARG 85 HH12 ARG 85 60.516 62.180 27.268 703 HH21 ARG 85 HH21 ARG 85 60.782 58.970 26.151 704 HH22 ARG 85 HH22 ARG 85 61.554 60.542 26.217 705 HA PRO 86 HA PRO 86 50.157 59.009 27.567 706 HB2 PRO 86 HB2 PRO 86 49.348 56.564 26.612 707 HB3 PRO 86 HB3 PRO 86 49.703 58.009 25.574 708 HG2 PRO 86 HG2 PRO 86 51.530 55.658 26.221 709 HG3 PRO 86 HG3 PRO 86 51.209 56.438 24.618 710 HD2 PRO 86 HD2 PRO 86 53.375 57.027 26.133 711 HD3 PRO 86 HD3 PRO 86 52.490 58.300 25.206 712 H ILE 87 H ILE 87 48.942 58.538 29.317 713 HA ILE 87 HA ILE 87 49.918 56.842 31.396 714 HB ILE 87 HB ILE 87 47.413 58.391 30.753 715 HG12 ILE 87 HG12 ILE 87 49.001 59.758 31.725 716 HG13 ILE 87 HG13 ILE 87 47.871 59.415 33.028 717 HG21 ILE 87 HG21 ILE 87 47.377 56.170 32.717 718 HG22 ILE 87 HG22 ILE 87 46.450 57.670 33.033 719 HG23 ILE 87 HG23 ILE 87 46.180 56.781 31.539 720 HD11 ILE 87 HD11 ILE 87 50.670 58.356 32.640 721 HD12 ILE 87 HD12 ILE 87 50.014 59.337 33.964 722 HD13 ILE 87 HD13 ILE 87 49.542 57.621 33.810 723 H LYS 88 H LYS 88 49.849 54.741 31.714 724 HA LYS 88 HA LYS 88 47.778 53.049 30.385 725 HB2 LYS 88 HB2 LYS 88 50.089 52.622 29.567 726 HB3 LYS 88 HB3 LYS 88 50.611 52.342 31.256 727 HG2 LYS 88 HG2 LYS 88 50.451 50.389 29.882 728 HG3 LYS 88 HG3 LYS 88 49.539 50.316 31.404 729 HD2 LYS 88 HD2 LYS 88 47.458 50.842 30.084 730 HD3 LYS 88 HD3 LYS 88 48.409 50.837 28.607 731 HE2 LYS 88 HE2 LYS 88 48.107 48.423 30.471 732 HE3 LYS 88 HE3 LYS 88 47.218 48.679 28.961 733 HZ1 LYS 88 HZ1 LYS 88 48.927 47.338 28.400 734 HZ2 LYS 88 HZ2 LYS 88 49.530 48.754 27.914 735 HZ3 LYS 88 HZ3 LYS 88 50.049 48.022 29.300 736 H ILE 89 H ILE 89 46.278 52.589 31.875 737 HA ILE 89 HA ILE 89 46.844 52.463 34.745 738 HB ILE 89 HB ILE 89 44.264 51.952 33.191 739 HG12 ILE 89 HG12 ILE 89 43.543 54.189 34.161 740 HG13 ILE 89 HG13 ILE 89 45.234 54.538 34.449 741 HG21 ILE 89 HG21 ILE 89 44.763 52.565 36.138 742 HG22 ILE 89 HG22 ILE 89 43.159 52.357 35.393 743 HG23 ILE 89 HG23 ILE 89 44.263 50.995 35.508 744 HD11 ILE 89 HD11 ILE 89 44.016 53.958 31.675 745 HD12 ILE 89 HD12 ILE 89 44.233 55.570 32.358 746 HD13 ILE 89 HD13 ILE 89 45.644 54.577 31.984 747 H GLN 90 H GLN 90 46.860 50.417 35.938 748 HA GLN 90 HA GLN 90 46.805 47.888 34.351 749 HB2 GLN 90 HB2 GLN 90 48.952 49.105 36.111 750 HB3 GLN 90 HB3 GLN 90 48.979 47.403 35.640 751 HG2 GLN 90 HG2 GLN 90 49.212 47.903 33.326 752 HG3 GLN 90 HG3 GLN 90 48.721 49.566 33.510 753 HE21 GLN 90 HE22 GLN 90 51.184 48.751 32.182 754 HE22 GLN 90 HE21 GLN 90 52.458 49.538 33.094 755 H PHE 91 H PHE 91 46.492 45.971 35.559 756 HA PHE 91 HA PHE 91 44.996 44.753 36.671 757 HB2 PHE 91 HB2 PHE 91 46.202 45.363 38.717 758 HB3 PHE 91 HB3 PHE 91 45.132 46.709 38.959 759 HD1 PHE 91 HD2 PHE 91 45.069 42.945 38.450 760 HD2 PHE 91 HD1 PHE 91 43.092 46.366 40.196 761 HE1 PHE 91 HE2 PHE 91 43.630 41.444 39.791 762 HE2 PHE 91 HE1 PHE 91 41.712 44.840 41.582 763 HZ PHE 91 HZ PHE 91 42.034 42.382 41.429 764 H ARG 92 H ARG 92 42.990 44.443 36.233 765 HA ARG 92 HA ARG 92 41.175 46.752 35.665 766 HB2 ARG 92 HB2 ARG 92 41.859 45.180 33.787 767 HB3 ARG 92 HB3 ARG 92 40.954 43.906 34.609 768 HG2 ARG 92 HG2 ARG 92 38.911 45.429 34.470 769 HG3 ARG 92 HG3 ARG 92 39.939 46.569 33.576 770 HD2 ARG 92 HD2 ARG 92 38.766 45.249 31.897 771 HD3 ARG 92 HD3 ARG 92 40.457 44.700 31.955 772 HE ARG 92 HE ARG 92 39.207 43.004 33.729 773 HH11 ARG 92 HH11 ARG 92 37.754 43.645 30.566 774 HH12 ARG 92 HH12 ARG 92 37.948 41.959 30.116 775 HH21 ARG 92 HH21 ARG 92 39.497 40.912 32.826 776 HH22 ARG 92 HH22 ARG 92 38.631 40.578 31.339 777 H SER 93 H SER 93 40.947 43.347 36.752 778 HA SER 93 HA SER 93 39.502 44.057 39.108 779 HB2 SER 93 HB2 SER 93 37.788 44.174 37.131 780 HB3 SER 93 HB3 SER 93 37.933 42.394 37.055 781 HG SER 93 HG SER 93 37.014 43.992 39.097 782 H GLY 94 H GLY 94 39.037 42.087 40.328 783 HA2 GLY 94 HA2 GLY 94 41.066 40.103 40.064 784 HA3 GLY 94 HA3 GLY 94 39.779 40.179 41.299 785 H SER 95 H SER 95 40.916 38.569 38.561 786 HA SER 95 HA SER 95 38.520 36.821 38.496 787 HB2 SER 95 HB2 SER 95 40.350 37.579 36.182 788 HB3 SER 95 HB3 SER 95 39.178 36.235 36.155 789 HG SER 95 HG SER 95 37.561 37.701 36.418 790 H SER 96 H SER 96 39.002 34.643 37.989 791 HA SER 96 HA SER 96 40.795 33.554 39.855 792 HB2 SER 96 HB2 SER 96 39.432 32.149 37.540 793 HB3 SER 96 HB3 SER 96 39.877 31.411 39.096 794 HG SER 96 HG SER 96 37.664 32.448 38.470 795 H HIS 97 H HIS 97 42.560 32.057 39.571 796 HA HIS 97 HA HIS 97 43.784 31.221 37.176 797 HB2 HIS 97 HB2 HIS 97 44.569 33.597 36.994 798 HB3 HIS 97 HB3 HIS 97 45.234 33.478 38.632 799 HD2 HIS 97 HD2 HIS 97 45.796 31.420 35.321 800 HE1 HIS 97 HE1 HIS 97 49.540 31.888 37.267 801 HE2 HIS 97 HE2 HIS 97 48.366 30.894 35.276 802 H ALA 98 H ALA 98 44.954 29.502 37.623 803 HA ALA 98 HA ALA 98 46.282 27.973 38.580 804 HB1 ALA 98 HB1 ALA 98 47.748 28.405 40.372 805 HB2 ALA 98 HB2 ALA 98 47.565 29.958 39.547 806 HB3 ALA 98 HB3 ALA 98 46.700 29.652 41.056 807 HA PRO 99 HA PRO 99 43.781 25.461 41.240 808 HB2 PRO 99 HB2 PRO 99 46.377 24.700 42.587 809 HB3 PRO 99 HB3 PRO 99 44.996 23.653 42.099 810 HG2 PRO 99 HG2 PRO 99 47.200 23.770 40.506 811 HG3 PRO 99 HG3 PRO 99 45.580 23.898 39.779 812 HD2 PRO 99 HD2 PRO 99 47.482 26.191 40.484 813 HD3 PRO 99 HD3 PRO 99 46.548 25.907 38.999 814 H GLN 100 H GLN 100 43.102 25.092 43.532 815 HA GLN 100 HA GLN 100 44.435 26.659 45.599 816 HB2 GLN 100 HB2 GLN 100 42.450 27.573 46.621 817 HB3 GLN 100 HB3 GLN 100 42.685 28.274 45.057 818 HG2 GLN 100 HG2 GLN 100 40.922 26.511 44.197 819 HG3 GLN 100 HG3 GLN 100 40.529 26.339 45.921 820 HE21 GLN 100 HE22 GLN 100 40.389 28.712 47.017 821 HE22 GLN 100 HE21 GLN 100 39.211 29.677 46.147 822 H ASP 101 H ASP 101 41.828 24.350 44.814 823 HA ASP 101 HA ASP 101 42.842 22.470 46.882 824 HB2 ASP 101 HB2 ASP 101 41.102 23.810 47.924 825 HB3 ASP 101 HB3 ASP 101 40.007 23.498 46.580 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 55.887 46.130 32.441 2 H2 GLY 1 H2 GLY 1 54.358 45.951 31.873 3 H3 GLY 1 H3 GLY 1 55.471 46.780 30.985 4 HA2 GLY 1 HA2 GLY 1 55.071 44.547 30.111 5 HA3 GLY 1 HA3 GLY 1 56.746 44.799 30.607 6 H SER 2 H SER 2 57.321 42.832 31.454 7 HA SER 2 HA SER 2 55.651 41.213 33.127 8 HB2 SER 2 HB2 SER 2 58.587 40.868 32.376 9 HB3 SER 2 HB3 SER 2 57.466 39.605 32.896 10 HG SER 2 HG SER 2 57.322 39.607 30.773 11 H GLU 3 H GLU 3 58.672 43.007 33.697 12 HA GLU 3 HA GLU 3 59.849 43.733 35.363 13 HB2 GLU 3 HB2 GLU 3 57.200 43.828 36.872 14 HB3 GLU 3 HB3 GLU 3 58.713 44.405 37.524 15 HG2 GLU 3 HG2 GLU 3 57.870 46.327 36.547 16 HG3 GLU 3 HG3 GLU 3 59.084 45.737 35.428 17 H PHE 4 H PHE 4 60.565 43.474 37.814 18 HA PHE 4 HA PHE 4 60.991 40.547 38.207 19 HB2 PHE 4 HB2 PHE 4 63.112 41.768 37.530 20 HB3 PHE 4 HB3 PHE 4 62.954 42.772 38.939 21 HD1 PHE 4 HD2 PHE 4 62.659 39.053 38.260 22 HD2 PHE 4 HD1 PHE 4 64.476 42.124 40.702 23 HE1 PHE 4 HE2 PHE 4 63.653 37.330 39.695 24 HE2 PHE 4 HE1 PHE 4 65.659 40.384 41.975 25 HZ PHE 4 HZ PHE 4 65.270 37.971 41.480 26 H GLU 5 H GLU 5 60.700 43.664 39.838 27 HA GLU 5 HA GLU 5 60.559 42.476 42.512 28 HB2 GLU 5 HB2 GLU 5 60.715 45.346 41.557 29 HB3 GLU 5 HB3 GLU 5 60.863 44.788 43.230 30 HG2 GLU 5 HG2 GLU 5 62.877 43.549 42.752 31 HG3 GLU 5 HG3 GLU 5 62.772 43.784 41.039 32 H LEU 6 H LEU 6 58.346 41.866 40.891 33 HA LEU 6 HA LEU 6 56.044 43.251 42.145 34 HB2 LEU 6 HB2 LEU 6 56.438 41.242 39.902 35 HB3 LEU 6 HB3 LEU 6 54.850 41.537 40.601 36 HG LEU 6 HG LEU 6 56.667 43.391 39.040 37 HD11 LEU 6 HD11 LEU 6 55.245 41.939 37.729 38 HD12 LEU 6 HD12 LEU 6 53.814 42.411 38.688 39 HD13 LEU 6 HD13 LEU 6 54.613 43.582 37.606 40 HD21 LEU 6 HD21 LEU 6 54.109 44.204 40.518 41 HD22 LEU 6 HD22 LEU 6 55.749 44.844 40.795 42 HD23 LEU 6 HD23 LEU 6 54.931 45.175 39.270 43 H ARG 7 H ARG 7 54.406 42.180 43.120 44 HA ARG 7 HA ARG 7 54.985 40.539 45.257 45 HB2 ARG 7 HB2 ARG 7 52.301 40.943 43.861 46 HB3 ARG 7 HB3 ARG 7 52.524 40.117 45.400 47 HG2 ARG 7 HG2 ARG 7 52.159 42.067 46.313 48 HG3 ARG 7 HG3 ARG 7 53.867 42.305 46.037 49 HD2 ARG 7 HD2 ARG 7 52.758 44.333 45.295 50 HD3 ARG 7 HD3 ARG 7 53.358 43.506 43.876 51 HE ARG 7 HE ARG 7 51.157 42.983 43.174 52 HH11 ARG 7 HH11 ARG 7 51.091 44.709 46.253 53 HH12 ARG 7 HH12 ARG 7 49.591 45.497 45.773 54 HH21 ARG 7 HH21 ARG 7 49.009 43.628 42.996 55 HH22 ARG 7 HH22 ARG 7 48.306 44.408 44.392 56 H ARG 8 H ARG 8 54.235 38.482 45.919 57 HA ARG 8 HA ARG 8 54.816 36.218 44.198 58 HB2 ARG 8 HB2 ARG 8 53.672 36.350 47.007 59 HB3 ARG 8 HB3 ARG 8 54.026 34.863 46.145 60 HG2 ARG 8 HG2 ARG 8 56.150 37.003 46.473 61 HG3 ARG 8 HG3 ARG 8 55.835 35.852 47.762 62 HD2 ARG 8 HD2 ARG 8 56.670 34.024 46.568 63 HD3 ARG 8 HD3 ARG 8 56.337 34.754 45.001 64 HE ARG 8 HE ARG 8 58.199 36.309 45.344 65 HH11 ARG 8 HH11 ARG 8 58.261 33.184 47.066 66 HH12 ARG 8 HH12 ARG 8 60.013 33.290 47.197 67 HH21 ARG 8 HH21 ARG 8 60.432 35.994 45.311 68 HH22 ARG 8 HH22 ARG 8 61.154 34.744 46.285 69 H GLN 9 H GLN 9 53.455 34.590 43.515 70 HA GLN 9 HA GLN 9 50.704 35.489 42.732 71 HB2 GLN 9 HB2 GLN 9 52.681 33.647 41.339 72 HB3 GLN 9 HB3 GLN 9 51.010 33.940 40.827 73 HG2 GLN 9 HG2 GLN 9 51.654 36.370 40.446 74 HG3 GLN 9 HG3 GLN 9 53.318 35.934 40.853 75 HE21 GLN 9 HE22 GLN 9 51.044 36.098 38.261 76 HE22 GLN 9 HE21 GLN 9 52.080 35.334 37.070 77 H GLN 10 H GLN 10 52.602 32.884 44.078 78 HA GLN 10 HA GLN 10 50.502 30.989 44.619 79 HB2 GLN 10 HB2 GLN 10 53.147 31.543 46.057 80 HB3 GLN 10 HB3 GLN 10 52.124 30.131 46.318 81 HG2 GLN 10 HG2 GLN 10 52.279 29.594 43.890 82 HG3 GLN 10 HG3 GLN 10 53.460 30.908 43.720 83 HE21 GLN 10 HE22 GLN 10 55.572 30.423 44.045 84 HE22 GLN 10 HE21 GLN 10 56.111 28.912 44.770 85 H ALA 11 H ALA 11 50.253 34.010 45.377 86 HA ALA 11 HA ALA 11 49.791 33.771 48.319 87 HB1 ALA 11 HB1 ALA 11 51.840 34.924 47.497 88 HB2 ALA 11 HB2 ALA 11 50.770 36.050 46.617 89 HB3 ALA 11 HB3 ALA 11 50.747 35.998 48.412 90 H LEU 12 H LEU 12 48.620 35.627 49.287 91 HA LEU 12 HA LEU 12 45.959 35.235 48.547 92 HB2 LEU 12 HB2 LEU 12 46.981 37.265 50.553 93 HB3 LEU 12 HB3 LEU 12 45.423 36.446 50.567 94 HG LEU 12 HG LEU 12 48.142 35.167 50.960 95 HD11 LEU 12 HD11 LEU 12 47.242 34.754 53.242 96 HD12 LEU 12 HD12 LEU 12 47.582 36.456 52.816 97 HD13 LEU 12 HD13 LEU 12 45.903 35.880 52.863 98 HD21 LEU 12 HD21 LEU 12 46.737 33.492 49.916 99 HD22 LEU 12 HD22 LEU 12 46.926 33.121 51.634 100 HD23 LEU 12 HD23 LEU 12 45.404 33.815 51.058 101 H ALA 13 H ALA 13 44.258 36.741 48.316 102 HA ALA 13 HA ALA 13 44.366 38.072 45.899 103 HB1 ALA 13 HB1 ALA 13 42.294 37.282 47.008 104 HB2 ALA 13 HB2 ALA 13 42.420 38.639 48.146 105 HB3 ALA 13 HB3 ALA 13 42.224 38.951 46.397 106 H GLU 14 H GLU 14 44.644 39.517 49.127 107 HA GLU 14 HA GLU 14 44.859 41.639 49.923 108 HB2 GLU 14 HB2 GLU 14 47.278 41.273 48.150 109 HB3 GLU 14 HB3 GLU 14 47.128 42.522 49.398 110 HG2 GLU 14 HG2 GLU 14 46.675 40.817 51.109 111 HG3 GLU 14 HG3 GLU 14 46.956 39.531 49.954 112 H ALA 15 H ALA 15 42.852 41.967 48.047 113 HA ALA 15 HA ALA 15 43.594 44.119 46.197 114 HB1 ALA 15 HB1 ALA 15 40.949 42.720 46.680 115 HB2 ALA 15 HB2 ALA 15 41.260 43.955 45.448 116 HB3 ALA 15 HB3 ALA 15 42.131 42.407 45.379 117 H ASP 16 H ASP 16 42.736 46.234 46.241 118 HA ASP 16 HA ASP 16 41.415 47.143 48.711 119 HB2 ASP 16 HB2 ASP 16 43.043 48.457 49.507 120 HB3 ASP 16 HB3 ASP 16 44.067 47.174 48.847 121 H ARG 17 H ARG 17 41.483 49.786 48.509 122 HA ARG 17 HA ARG 17 39.702 50.358 46.253 123 HB2 ARG 17 HB2 ARG 17 40.618 52.180 48.500 124 HB3 ARG 17 HB3 ARG 17 39.321 52.461 47.343 125 HG2 ARG 17 HG2 ARG 17 37.946 51.573 48.884 126 HG3 ARG 17 HG3 ARG 17 38.508 50.055 48.223 127 HD2 ARG 17 HD2 ARG 17 38.527 49.893 50.582 128 HD3 ARG 17 HD3 ARG 17 40.155 49.753 49.955 129 HE ARG 17 HE ARG 17 39.803 52.487 50.758 130 HH11 ARG 17 HH11 ARG 17 39.808 49.352 52.267 131 HH12 ARG 17 HH12 ARG 17 41.088 49.734 53.394 132 HH21 ARG 17 HH21 ARG 17 41.261 53.044 52.556 133 HH22 ARG 17 HH22 ARG 17 41.866 51.706 53.495 134 H THR 18 H THR 18 42.890 50.117 45.958 135 HA THR 18 HA THR 18 43.204 52.770 44.665 136 HB THR 18 HB THR 18 45.599 51.145 45.584 137 HG1 THR 18 HG1 THR 18 44.504 51.702 47.421 138 HG21 THR 18 HG21 THR 18 45.329 54.158 45.241 139 HG22 THR 18 HG22 THR 18 46.772 53.203 45.546 140 HG23 THR 18 HG23 THR 18 45.967 53.090 43.965 141 H LEU 19 H LEU 19 44.098 52.843 42.690 142 HA LEU 19 HA LEU 19 44.026 50.515 40.842 143 HB2 LEU 19 HB2 LEU 19 42.312 52.343 40.841 144 HB3 LEU 19 HB3 LEU 19 43.627 53.502 40.573 145 HG LEU 19 HG LEU 19 43.971 52.616 38.300 146 HD11 LEU 19 HD11 LEU 19 41.711 50.755 39.091 147 HD12 LEU 19 HD12 LEU 19 41.999 51.230 37.401 148 HD13 LEU 19 HD13 LEU 19 43.276 50.390 38.315 149 HD21 LEU 19 HD21 LEU 19 42.273 53.843 37.409 150 HD22 LEU 19 HD22 LEU 19 41.033 53.288 38.557 151 HD23 LEU 19 HD23 LEU 19 42.261 54.444 39.077 152 H PHE 20 H PHE 20 45.890 49.986 39.852 153 HA PHE 20 HA PHE 20 48.319 51.536 40.299 154 HB2 PHE 20 HB2 PHE 20 48.228 48.954 40.405 155 HB3 PHE 20 HB3 PHE 20 47.950 48.981 38.661 156 HD1 PHE 20 HD1 PHE 20 49.695 49.935 37.120 157 HD2 PHE 20 HD2 PHE 20 50.434 49.292 41.317 158 HE1 PHE 20 HE1 PHE 20 52.089 50.444 36.772 159 HE2 PHE 20 HE2 PHE 20 52.803 49.938 40.987 160 HZ PHE 20 HZ PHE 20 53.652 50.448 38.714 161 H VAL 21 H VAL 21 49.359 52.756 38.757 162 HA VAL 21 HA VAL 21 48.317 52.832 35.963 163 HB VAL 21 HB VAL 21 49.035 55.224 37.682 164 HG11 VAL 21 HG11 VAL 21 47.816 55.057 34.893 165 HG12 VAL 21 HG12 VAL 21 48.132 56.545 35.823 166 HG13 VAL 21 HG13 VAL 21 49.487 55.553 35.269 167 HG21 VAL 21 HG21 VAL 21 46.766 54.339 38.354 168 HG22 VAL 21 HG22 VAL 21 46.789 55.961 37.649 169 HG23 VAL 21 HG23 VAL 21 46.221 54.586 36.683 170 H GLY 22 H GLY 22 49.991 53.114 34.450 171 HA2 GLY 22 HA2 GLY 22 52.699 53.794 35.407 172 HA3 GLY 22 HA3 GLY 22 52.503 52.237 34.640 173 H ASN 23 H ASN 23 54.156 53.494 33.489 174 HA ASN 23 HA ASN 23 54.945 54.205 31.494 175 HB2 ASN 23 HB2 ASN 23 52.772 53.012 30.687 176 HB3 ASN 23 HB3 ASN 23 52.137 54.650 30.478 177 HD21 ASN 23 HD21 ASN 23 52.049 54.616 28.211 178 HD22 ASN 23 HD22 ASN 23 53.526 54.520 27.245 179 H LEU 24 H LEU 24 54.342 55.927 33.769 180 HA LEU 24 HA LEU 24 53.111 58.409 32.965 181 HB2 LEU 24 HB2 LEU 24 55.032 57.798 35.248 182 HB3 LEU 24 HB3 LEU 24 54.214 59.305 34.999 183 HG LEU 24 HG LEU 24 53.384 57.524 36.819 184 HD11 LEU 24 HD11 LEU 24 51.676 59.204 35.027 185 HD12 LEU 24 HD12 LEU 24 50.898 58.170 36.259 186 HD13 LEU 24 HD13 LEU 24 52.037 59.399 36.782 187 HD21 LEU 24 HD21 LEU 24 53.158 55.743 35.133 188 HD22 LEU 24 HD22 LEU 24 51.700 56.021 36.121 189 HD23 LEU 24 HD23 LEU 24 51.758 56.632 34.448 190 H GLU 25 H GLU 25 54.129 60.347 32.397 191 HA GLU 25 HA GLU 25 56.718 60.164 31.292 192 HB2 GLU 25 HB2 GLU 25 54.670 62.122 31.369 193 HB3 GLU 25 HB3 GLU 25 56.076 62.958 32.006 194 HG2 GLU 25 HG2 GLU 25 56.450 61.386 29.468 195 HG3 GLU 25 HG3 GLU 25 55.431 62.813 29.428 196 H THR 26 H THR 26 58.594 61.658 31.770 197 HA THR 26 HA THR 26 59.726 61.035 34.332 198 HB THR 26 HB THR 26 61.709 62.168 33.521 199 HG1 THR 26 HG1 THR 26 60.061 63.282 31.553 200 HG21 THR 26 HG21 THR 26 60.285 60.882 31.134 201 HG22 THR 26 HG22 THR 26 61.996 61.305 31.179 202 HG23 THR 26 HG23 THR 26 61.374 60.098 32.306 203 H LYS 27 H LYS 27 57.886 63.716 33.148 204 HA LYS 27 HA LYS 27 58.258 65.157 35.744 205 HB2 LYS 27 HB2 LYS 27 57.470 66.423 33.105 206 HB3 LYS 27 HB3 LYS 27 57.536 67.222 34.669 207 HG2 LYS 27 HG2 LYS 27 60.031 65.862 33.640 208 HG3 LYS 27 HG3 LYS 27 59.518 67.422 32.995 209 HD2 LYS 27 HD2 LYS 27 59.992 66.912 35.965 210 HD3 LYS 27 HD3 LYS 27 61.171 67.521 34.803 211 HE2 LYS 27 HE2 LYS 27 59.246 69.321 34.266 212 HE3 LYS 27 HE3 LYS 27 58.599 68.803 35.798 213 HZ1 LYS 27 HZ1 LYS 27 60.821 69.291 36.759 214 HZ2 LYS 27 HZ2 LYS 27 61.273 69.972 35.329 215 HZ3 LYS 27 HZ3 LYS 27 60.040 70.581 36.233 216 H VAL 28 H VAL 28 56.233 62.866 35.061 217 HA VAL 28 HA VAL 28 53.714 64.168 35.261 218 HB VAL 28 HB VAL 28 54.054 61.727 34.752 219 HG11 VAL 28 HG11 VAL 28 53.975 60.273 36.998 220 HG12 VAL 28 HG12 VAL 28 55.523 60.888 36.387 221 HG13 VAL 28 HG13 VAL 28 54.720 61.684 37.729 222 HG21 VAL 28 HG21 VAL 28 51.909 62.991 35.408 223 HG22 VAL 28 HG22 VAL 28 51.900 61.245 35.353 224 HG23 VAL 28 HG23 VAL 28 52.023 62.079 36.933 225 H THR 29 H THR 29 52.288 64.272 37.109 226 HA THR 29 HA THR 29 53.231 64.461 39.843 227 HB THR 29 HB THR 29 52.188 66.755 40.134 228 HG1 THR 29 HG1 THR 29 52.800 67.365 37.585 229 HG21 THR 29 HG21 THR 29 54.740 66.769 38.482 230 HG22 THR 29 HG22 THR 29 54.110 68.074 39.532 231 HG23 THR 29 HG23 THR 29 54.637 66.540 40.244 232 H GLU 30 H GLU 30 51.438 64.744 41.230 233 HA GLU 30 HA GLU 30 49.047 63.382 40.653 234 HB2 GLU 30 HB2 GLU 30 49.659 65.439 42.809 235 HB3 GLU 30 HB3 GLU 30 48.378 64.219 42.897 236 HG2 GLU 30 HG2 GLU 30 50.262 62.449 42.748 237 HG3 GLU 30 HG3 GLU 30 51.390 63.774 42.801 238 H GLU 31 H GLU 31 49.815 66.828 40.279 239 HA GLU 31 HA GLU 31 47.088 67.802 39.972 240 HB2 GLU 31 HB2 GLU 31 49.758 68.838 38.983 241 HB3 GLU 31 HB3 GLU 31 48.270 69.801 39.116 242 HG2 GLU 31 HG2 GLU 31 48.301 69.668 41.510 243 HG3 GLU 31 HG3 GLU 31 49.751 68.650 41.505 244 H LEU 32 H LEU 32 49.572 66.552 37.733 245 HA LEU 32 HA LEU 32 47.903 67.026 35.391 246 HB2 LEU 32 HB2 LEU 32 50.303 67.071 35.112 247 HB3 LEU 32 HB3 LEU 32 50.550 65.636 36.067 248 HG LEU 32 HG LEU 32 49.680 64.233 34.201 249 HD11 LEU 32 HD11 LEU 32 48.222 66.184 33.306 250 HD12 LEU 32 HD12 LEU 32 49.709 66.930 32.740 251 HD13 LEU 32 HD13 LEU 32 49.188 65.368 32.042 252 HD21 LEU 32 HD21 LEU 32 51.729 64.618 32.865 253 HD22 LEU 32 HD22 LEU 32 51.727 66.328 33.357 254 HD23 LEU 32 HD23 LEU 32 52.103 65.105 34.552 255 H LEU 33 H LEU 33 48.485 64.308 37.494 256 HA LEU 33 HA LEU 33 46.893 62.411 36.016 257 HB2 LEU 33 HB2 LEU 33 47.730 62.684 38.892 258 HB3 LEU 33 HB3 LEU 33 46.903 61.235 38.247 259 HG LEU 33 HG LEU 33 49.640 62.251 37.371 260 HD11 LEU 33 HD11 LEU 33 48.901 59.894 39.142 261 HD12 LEU 33 HD12 LEU 33 50.515 60.186 38.470 262 HD13 LEU 33 HD13 LEU 33 49.840 61.329 39.645 263 HD21 LEU 33 HD21 LEU 33 49.870 60.534 35.953 264 HD22 LEU 33 HD22 LEU 33 48.777 59.450 36.835 265 HD23 LEU 33 HD23 LEU 33 48.116 60.723 35.786 266 H PHE 34 H PHE 34 45.916 64.571 38.791 267 HA PHE 34 HA PHE 34 43.264 63.548 39.010 268 HB2 PHE 34 HB2 PHE 34 44.689 65.008 40.567 269 HB3 PHE 34 HB3 PHE 34 44.265 66.361 39.537 270 HD1 PHE 34 HD2 PHE 34 42.995 63.751 41.891 271 HD2 PHE 34 HD1 PHE 34 42.117 67.456 39.877 272 HE1 PHE 34 HE2 PHE 34 40.868 63.948 43.168 273 HE2 PHE 34 HE1 PHE 34 40.029 67.674 41.205 274 HZ PHE 34 HZ PHE 34 39.429 65.934 42.876 275 H GLU 35 H GLU 35 44.487 66.231 36.895 276 HA GLU 35 HA GLU 35 41.832 66.735 35.841 277 HB2 GLU 35 HB2 GLU 35 42.763 68.385 34.640 278 HB3 GLU 35 HB3 GLU 35 43.858 68.301 36.009 279 HG2 GLU 35 HG2 GLU 35 45.528 67.106 34.593 280 HG3 GLU 35 HG3 GLU 35 44.397 67.240 33.242 281 H LEU 36 H LEU 36 44.348 64.417 35.065 282 HA LEU 36 HA LEU 36 43.137 63.629 32.528 283 HB2 LEU 36 HB2 LEU 36 45.554 63.372 32.843 284 HB3 LEU 36 HB3 LEU 36 45.322 62.432 34.296 285 HG LEU 36 HG LEU 36 44.022 61.297 31.847 286 HD11 LEU 36 HD11 LEU 36 47.018 61.540 32.165 287 HD12 LEU 36 HD12 LEU 36 46.194 60.264 31.179 288 HD13 LEU 36 HD13 LEU 36 46.038 61.969 30.747 289 HD21 LEU 36 HD21 LEU 36 44.094 60.158 34.053 290 HD22 LEU 36 HD22 LEU 36 44.999 59.227 32.830 291 HD23 LEU 36 HD23 LEU 36 45.855 60.193 34.050 292 H PHE 37 H PHE 37 42.982 62.472 35.906 293 HA PHE 37 HA PHE 37 40.991 60.477 35.126 294 HB2 PHE 37 HB2 PHE 37 42.268 61.024 37.825 295 HB3 PHE 37 HB3 PHE 37 41.221 59.662 37.422 296 HD1 PHE 37 HD2 PHE 37 41.933 58.340 35.240 297 HD2 PHE 37 HD1 PHE 37 44.553 60.407 37.932 298 HE1 PHE 37 HE2 PHE 37 43.827 56.838 34.551 299 HE2 PHE 37 HE1 PHE 37 46.457 58.972 37.203 300 HZ PHE 37 HZ PHE 37 46.076 57.164 35.542 301 H HIS 38 H HIS 38 40.354 63.550 35.216 302 HA HIS 38 HA HIS 38 38.665 63.915 37.475 303 HB2 HIS 38 HB2 HIS 38 39.696 65.752 36.047 304 HB3 HIS 38 HB3 HIS 38 38.495 65.372 34.820 305 HD2 HIS 38 HD2 HIS 38 36.445 66.740 34.845 306 HE1 HIS 38 HE1 HIS 38 36.301 67.980 38.911 307 HE2 HIS 38 HE2 HIS 38 35.246 68.272 36.639 308 H GLN 39 H GLN 39 37.867 62.562 34.311 309 HA GLN 39 HA GLN 39 34.970 62.233 35.028 310 HB2 GLN 39 HB2 GLN 39 36.357 61.729 32.383 311 HB3 GLN 39 HB3 GLN 39 34.629 61.680 32.742 312 HG2 GLN 39 HG2 GLN 39 34.693 64.097 33.334 313 HG3 GLN 39 HG3 GLN 39 36.352 64.190 32.749 314 HE21 GLN 39 HE22 GLN 39 34.384 65.805 31.562 315 HE22 GLN 39 HE21 GLN 39 33.856 65.126 30.023 316 H ALA 40 H ALA 40 37.713 60.505 35.645 317 HA ALA 40 HA ALA 40 36.677 58.015 34.538 318 HB1 ALA 40 HB1 ALA 40 39.297 58.527 35.976 319 HB2 ALA 40 HB2 ALA 40 38.756 57.003 35.237 320 HB3 ALA 40 HB3 ALA 40 38.998 58.442 34.218 321 H GLY 41 H GLY 41 35.035 59.132 36.546 322 HA2 GLY 41 HA2 GLY 41 33.633 58.035 38.127 323 HA3 GLY 41 HA3 GLY 41 34.928 56.899 38.499 324 HA PRO 42 HA PRO 42 34.816 60.284 41.738 325 HB2 PRO 42 HB2 PRO 42 34.367 58.007 43.615 326 HB3 PRO 42 HB3 PRO 42 33.547 59.603 43.509 327 HG2 PRO 42 HG2 PRO 42 32.248 57.377 42.716 328 HG3 PRO 42 HG3 PRO 42 32.105 58.929 41.849 329 HD2 PRO 42 HD2 PRO 42 33.925 56.600 41.116 330 HD3 PRO 42 HD3 PRO 42 32.796 57.522 40.077 331 H VAL 43 H VAL 43 36.962 60.772 41.606 332 HA VAL 43 HA VAL 43 39.027 58.860 42.538 333 HB VAL 43 HB VAL 43 39.200 61.502 41.086 334 HG11 VAL 43 HG11 VAL 43 41.363 59.857 42.473 335 HG12 VAL 43 HG12 VAL 43 41.711 60.918 41.085 336 HG13 VAL 43 HG13 VAL 43 41.091 61.601 42.594 337 HG21 VAL 43 HG21 VAL 43 40.312 60.059 39.421 338 HG22 VAL 43 HG22 VAL 43 40.122 58.649 40.503 339 HG23 VAL 43 HG23 VAL 43 38.708 59.415 39.767 340 H ILE 44 H ILE 44 38.907 58.666 44.645 341 HA ILE 44 HA ILE 44 38.545 60.667 46.647 342 HB ILE 44 HB ILE 44 40.060 58.026 46.876 343 HG12 ILE 44 HG12 ILE 44 37.185 58.794 47.362 344 HG13 ILE 44 HG13 ILE 44 37.773 57.728 46.058 345 HG21 ILE 44 HG21 ILE 44 40.294 59.920 48.772 346 HG22 ILE 44 HG22 ILE 44 38.625 59.485 49.140 347 HG23 ILE 44 HG23 ILE 44 39.894 58.271 49.256 348 HD11 ILE 44 HD11 ILE 44 37.918 57.000 49.005 349 HD12 ILE 44 HD12 ILE 44 36.667 56.518 47.849 350 HD13 ILE 44 HD13 ILE 44 38.353 55.999 47.590 351 H LYS 45 H LYS 45 41.645 59.342 45.277 352 HA LYS 45 HA LYS 45 42.887 61.910 45.514 353 HB2 LYS 45 HB2 LYS 45 44.576 61.426 47.141 354 HB3 LYS 45 HB3 LYS 45 43.057 61.084 47.935 355 HG2 LYS 45 HG2 LYS 45 43.881 58.637 46.675 356 HG3 LYS 45 HG3 LYS 45 45.300 59.298 47.467 357 HD2 LYS 45 HD2 LYS 45 42.609 58.495 48.643 358 HD3 LYS 45 HD3 LYS 45 44.171 57.746 48.941 359 HE2 LYS 45 HE2 LYS 45 43.439 60.562 49.837 360 HE3 LYS 45 HE3 LYS 45 43.182 59.100 50.790 361 HZ1 LYS 45 HZ1 LYS 45 45.898 59.660 49.795 362 HZ2 LYS 45 HZ2 LYS 45 45.362 60.285 51.226 363 HZ3 LYS 45 HZ3 LYS 45 45.406 58.711 50.978 364 H VAL 46 H VAL 46 45.159 61.805 44.809 365 HA VAL 46 HA VAL 46 45.820 59.408 43.147 366 HB VAL 46 HB VAL 46 46.462 62.345 42.749 367 HG11 VAL 46 HG11 VAL 46 48.329 61.193 41.849 368 HG12 VAL 46 HG12 VAL 46 47.304 59.923 41.134 369 HG13 VAL 46 HG13 VAL 46 47.251 61.591 40.495 370 HG21 VAL 46 HG21 VAL 46 44.764 60.461 41.025 371 HG22 VAL 46 HG22 VAL 46 44.097 61.667 42.145 372 HG23 VAL 46 HG23 VAL 46 45.042 62.196 40.751 373 H LYS 47 H LYS 47 48.172 58.953 43.044 374 HA LYS 47 HA LYS 47 49.841 60.188 45.137 375 HB2 LYS 47 HB2 LYS 47 49.139 58.261 46.280 376 HB3 LYS 47 HB3 LYS 47 49.060 57.283 44.826 377 HG2 LYS 47 HG2 LYS 47 50.934 56.469 46.089 378 HG3 LYS 47 HG3 LYS 47 51.561 57.251 44.677 379 HD2 LYS 47 HD2 LYS 47 51.892 59.395 46.129 380 HD3 LYS 47 HD3 LYS 47 51.468 58.391 47.509 381 HE2 LYS 47 HE2 LYS 47 53.726 57.657 45.591 382 HE3 LYS 47 HE3 LYS 47 53.977 58.701 46.976 383 HZ1 LYS 47 HZ1 LYS 47 54.336 56.242 47.316 384 HZ2 LYS 47 HZ2 LYS 47 53.311 56.888 48.416 385 HZ3 LYS 47 HZ3 LYS 47 52.743 56.026 47.184 386 H ILE 48 H ILE 48 51.583 60.869 44.374 387 HA ILE 48 HA ILE 48 52.889 59.540 42.086 388 HB ILE 48 HB ILE 48 52.905 62.348 43.119 389 HG12 ILE 48 HG12 ILE 48 51.429 61.394 41.227 390 HG13 ILE 48 HG13 ILE 48 52.400 62.856 40.868 391 HG21 ILE 48 HG21 ILE 48 55.159 61.105 41.566 392 HG22 ILE 48 HG22 ILE 48 54.765 62.850 41.480 393 HG23 ILE 48 HG23 ILE 48 55.237 62.128 43.023 394 HD11 ILE 48 HD11 ILE 48 53.195 60.024 40.068 395 HD12 ILE 48 HD12 ILE 48 52.358 61.196 39.012 396 HD13 ILE 48 HD13 ILE 48 53.991 61.545 39.618 397 HA PRO 49 HA PRO 49 56.137 58.417 45.149 398 HB2 PRO 49 HB2 PRO 49 57.493 56.814 43.412 399 HB3 PRO 49 HB3 PRO 49 56.001 56.260 44.247 400 HG2 PRO 49 HG2 PRO 49 56.314 57.371 41.443 401 HG3 PRO 49 HG3 PRO 49 55.392 55.918 41.937 402 HD2 PRO 49 HD2 PRO 49 54.306 58.333 41.478 403 HD3 PRO 49 HD3 PRO 49 53.608 57.284 42.734 404 H LYS 50 H LYS 50 58.519 58.642 45.016 405 HA LYS 50 HA LYS 50 59.838 60.015 42.878 406 HB2 LYS 50 HB2 LYS 50 58.953 61.671 45.216 407 HB3 LYS 50 HB3 LYS 50 60.573 61.891 44.525 408 HG2 LYS 50 HG2 LYS 50 59.185 61.798 42.214 409 HG3 LYS 50 HG3 LYS 50 57.880 62.342 43.251 410 HD2 LYS 50 HD2 LYS 50 59.398 64.297 43.944 411 HD3 LYS 50 HD3 LYS 50 60.575 63.688 42.772 412 HE2 LYS 50 HE2 LYS 50 59.062 63.957 40.943 413 HE3 LYS 50 HE3 LYS 50 57.668 64.221 42.005 414 HZ1 LYS 50 HZ1 LYS 50 58.379 66.291 41.163 415 HZ2 LYS 50 HZ2 LYS 50 58.775 66.235 42.789 416 HZ3 LYS 50 HZ3 LYS 50 59.899 66.068 41.692 417 H ASP 51 H ASP 51 61.460 58.965 42.814 418 HA ASP 51 HA ASP 51 62.960 57.439 44.662 419 HB2 ASP 51 HB2 ASP 51 63.043 57.473 42.122 420 HB3 ASP 51 HB3 ASP 51 63.881 59.027 42.245 421 H LYS 52 H LYS 52 65.221 57.836 45.224 422 HA LYS 52 HA LYS 52 65.662 60.003 47.027 423 HB2 LYS 52 HB2 LYS 52 68.022 59.293 47.038 424 HB3 LYS 52 HB3 LYS 52 66.940 57.955 47.318 425 HG2 LYS 52 HG2 LYS 52 68.117 56.854 45.726 426 HG3 LYS 52 HG3 LYS 52 67.264 57.879 44.560 427 HD2 LYS 52 HD2 LYS 52 69.125 59.604 44.941 428 HD3 LYS 52 HD3 LYS 52 70.025 58.321 45.783 429 HE2 LYS 52 HE2 LYS 52 70.223 56.999 43.888 430 HE3 LYS 52 HE3 LYS 52 68.867 57.780 43.064 431 HZ1 LYS 52 HZ1 LYS 52 70.286 59.821 42.981 432 HZ2 LYS 52 HZ2 LYS 52 71.496 59.006 43.616 433 HZ3 LYS 52 HZ3 LYS 52 70.956 58.554 42.148 434 H ASP 53 H ASP 53 66.406 59.529 43.630 435 HA ASP 53 HA ASP 53 67.682 62.103 43.219 436 HB2 ASP 53 HB2 ASP 53 68.279 59.847 42.111 437 HB3 ASP 53 HB3 ASP 53 66.842 60.086 41.134 438 H GLY 54 H GLY 54 64.493 61.422 43.604 439 HA2 GLY 54 HA2 GLY 54 62.750 62.800 43.505 440 HA3 GLY 54 HA3 GLY 54 63.633 63.957 42.514 441 H LYS 55 H LYS 55 62.526 60.553 41.921 442 HA LYS 55 HA LYS 55 61.141 61.587 39.499 443 HB2 LYS 55 HB2 LYS 55 63.464 60.661 39.062 444 HB3 LYS 55 HB3 LYS 55 62.752 59.059 39.394 445 HG2 LYS 55 HG2 LYS 55 62.714 59.187 37.126 446 HG3 LYS 55 HG3 LYS 55 61.081 59.535 37.480 447 HD2 LYS 55 HD2 LYS 55 61.594 61.267 35.905 448 HD3 LYS 55 HD3 LYS 55 61.979 62.146 37.391 449 HE2 LYS 55 HE2 LYS 55 64.238 61.402 37.419 450 HE3 LYS 55 HE3 LYS 55 64.011 60.306 36.051 451 HZ1 LYS 55 HZ1 LYS 55 64.027 63.234 35.923 452 HZ2 LYS 55 HZ2 LYS 55 65.239 62.223 35.518 453 HZ3 LYS 55 HZ3 LYS 55 63.907 62.221 34.610 454 HA PRO 56 HA PRO 56 57.991 58.747 40.939 455 HB2 PRO 56 HB2 PRO 56 56.176 59.137 38.888 456 HB3 PRO 56 HB3 PRO 56 56.568 60.386 40.142 457 HG2 PRO 56 HG2 PRO 56 57.641 60.007 37.337 458 HG3 PRO 56 HG3 PRO 56 57.113 61.579 38.090 459 HD2 PRO 56 HD2 PRO 56 59.740 60.909 37.941 460 HD3 PRO 56 HD3 PRO 56 59.039 61.806 39.292 461 H LYS 57 H LYS 57 60.125 57.788 39.120 462 HA LYS 57 HA LYS 57 60.738 55.905 38.030 463 HB2 LYS 57 HB2 LYS 57 58.669 54.627 39.839 464 HB3 LYS 57 HB3 LYS 57 60.091 53.840 39.154 465 HG2 LYS 57 HG2 LYS 57 60.912 54.204 41.240 466 HG3 LYS 57 HG3 LYS 57 61.352 55.770 40.630 467 HD2 LYS 57 HD2 LYS 57 59.360 56.820 41.548 468 HD3 LYS 57 HD3 LYS 57 58.704 55.274 42.094 469 HE2 LYS 57 HE2 LYS 57 61.437 56.314 42.883 470 HE3 LYS 57 HE3 LYS 57 59.978 56.706 43.809 471 HZ1 LYS 57 HZ1 LYS 57 59.793 54.470 44.483 472 HZ2 LYS 57 HZ2 LYS 57 60.621 53.898 43.230 473 HZ3 LYS 57 HZ3 LYS 57 61.419 54.581 44.421 474 H GLN 58 H GLN 58 58.646 57.309 36.673 475 HA GLN 58 HA GLN 58 56.995 57.166 35.057 476 HB2 GLN 58 HB2 GLN 58 58.640 54.770 34.355 477 HB3 GLN 58 HB3 GLN 58 57.271 55.409 33.416 478 HG2 GLN 58 HG2 GLN 58 58.618 57.738 33.748 479 HG3 GLN 58 HG3 GLN 58 59.993 56.693 34.053 480 HE21 GLN 58 HE22 GLN 58 57.541 57.744 31.845 481 HE22 GLN 58 HE21 GLN 58 57.899 56.706 30.553 482 H PHE 59 H PHE 59 56.126 56.282 37.619 483 HA PHE 59 HA PHE 59 53.724 54.743 36.915 484 HB2 PHE 59 HB2 PHE 59 53.999 52.896 37.982 485 HB3 PHE 59 HB3 PHE 59 55.639 53.160 37.448 486 HD1 PHE 59 HD1 PHE 59 53.376 53.411 40.392 487 HD2 PHE 59 HD2 PHE 59 57.433 53.066 39.068 488 HE1 PHE 59 HE1 PHE 59 54.137 53.290 42.772 489 HE2 PHE 59 HE2 PHE 59 58.191 52.845 41.453 490 HZ PHE 59 HZ PHE 59 56.558 53.115 43.289 491 H ALA 60 H ALA 60 51.974 54.964 38.412 492 HA ALA 60 HA ALA 60 52.248 56.534 40.899 493 HB1 ALA 60 HB1 ALA 60 50.666 58.232 40.212 494 HB2 ALA 60 HB2 ALA 60 52.073 58.261 39.131 495 HB3 ALA 60 HB3 ALA 60 50.527 57.517 38.601 496 H PHE 61 H PHE 61 49.921 56.882 41.860 497 HA PHE 61 HA PHE 61 48.099 54.665 41.119 498 HB2 PHE 61 HB2 PHE 61 49.385 55.307 43.794 499 HB3 PHE 61 HB3 PHE 61 47.850 54.480 43.737 500 HD1 PHE 61 HD1 PHE 61 47.663 52.202 42.663 501 HD2 PHE 61 HD2 PHE 61 51.486 54.035 43.523 502 HE1 PHE 61 HE1 PHE 61 48.677 49.968 43.016 503 HE2 PHE 61 HE2 PHE 61 52.463 51.790 43.875 504 HZ PHE 61 HZ PHE 61 51.098 49.774 43.568 505 H VAL 62 H VAL 62 45.966 54.775 42.124 506 HA VAL 62 HA VAL 62 44.930 57.474 42.782 507 HB VAL 62 HB VAL 62 43.702 55.856 40.495 508 HG11 VAL 62 HG11 VAL 62 42.530 58.004 40.039 509 HG12 VAL 62 HG12 VAL 62 42.118 57.342 41.615 510 HG13 VAL 62 HG13 VAL 62 43.254 58.700 41.503 511 HG21 VAL 62 HG21 VAL 62 45.514 58.277 40.277 512 HG22 VAL 62 HG22 VAL 62 45.922 56.626 39.762 513 HG23 VAL 62 HG23 VAL 62 44.622 57.475 38.937 514 H ASN 63 H ASN 63 42.966 57.444 43.840 515 HA ASN 63 HA ASN 63 42.187 54.749 44.817 516 HB2 ASN 63 HB2 ASN 63 43.460 56.319 46.560 517 HB3 ASN 63 HB3 ASN 63 41.956 57.167 46.647 518 HD21 ASN 63 HD22 ASN 63 43.690 54.102 47.284 519 HD22 ASN 63 HD21 ASN 63 42.483 53.505 48.368 520 H PHE 64 H PHE 64 40.228 54.149 44.900 521 HA PHE 64 HA PHE 64 38.164 55.871 43.672 522 HB2 PHE 64 HB2 PHE 64 39.457 54.926 41.811 523 HB3 PHE 64 HB3 PHE 64 39.464 53.342 42.575 524 HD1 PHE 64 HD1 PHE 64 37.312 55.801 40.810 525 HD2 PHE 64 HD2 PHE 64 37.721 51.757 42.245 526 HE1 PHE 64 HE1 PHE 64 35.402 55.078 39.381 527 HE2 PHE 64 HE2 PHE 64 35.693 51.100 40.967 528 HZ PHE 64 HZ PHE 64 34.524 52.781 39.555 529 H LYS 65 H LYS 65 36.068 55.145 43.954 530 HA LYS 65 HA LYS 65 35.500 52.517 45.021 531 HB2 LYS 65 HB2 LYS 65 34.683 54.890 46.774 532 HB3 LYS 65 HB3 LYS 65 34.077 53.244 46.890 533 HG2 LYS 65 HG2 LYS 65 36.480 52.471 47.210 534 HG3 LYS 65 HG3 LYS 65 36.916 54.188 47.281 535 HD2 LYS 65 HD2 LYS 65 36.651 53.407 49.541 536 HD3 LYS 65 HD3 LYS 65 35.299 54.482 49.175 537 HE2 LYS 65 HE2 LYS 65 33.872 52.388 48.734 538 HE3 LYS 65 HE3 LYS 65 35.243 51.454 49.363 539 HZ1 LYS 65 HZ1 LYS 65 33.690 53.558 50.766 540 HZ2 LYS 65 HZ2 LYS 65 33.832 51.944 51.176 541 HZ3 LYS 65 HZ3 LYS 65 35.076 52.934 51.321 542 H HIS 66 H HIS 66 33.781 51.839 44.093 543 HA HIS 66 HA HIS 66 31.419 53.508 43.472 544 HB2 HIS 66 HB2 HIS 66 32.755 53.849 41.536 545 HB3 HIS 66 HB3 HIS 66 33.176 52.119 41.440 546 HD2 HIS 66 HD2 HIS 66 31.653 50.743 39.807 547 HE1 HIS 66 HE1 HIS 66 28.293 53.344 39.626 548 HE2 HIS 66 HE2 HIS 66 29.274 51.176 38.810 549 H GLU 67 H GLU 67 29.608 52.071 42.718 550 HA GLU 67 HA GLU 67 29.156 49.874 44.424 551 HB2 GLU 67 HB2 GLU 67 27.925 50.680 41.784 552 HB3 GLU 67 HB3 GLU 67 27.284 49.380 42.793 553 HG2 GLU 67 HG2 GLU 67 27.153 52.360 43.103 554 HG3 GLU 67 HG3 GLU 67 25.889 51.164 43.158 555 H VAL 68 H VAL 68 30.546 49.673 41.081 556 HA VAL 68 HA VAL 68 31.395 46.916 41.924 557 HB VAL 68 HB VAL 68 31.876 46.415 39.530 558 HG11 VAL 68 HG11 VAL 68 30.003 45.292 40.390 559 HG12 VAL 68 HG12 VAL 68 28.995 46.755 40.401 560 HG13 VAL 68 HG13 VAL 68 29.475 45.986 38.865 561 HG21 VAL 68 HG21 VAL 68 31.978 48.570 38.599 562 HG22 VAL 68 HG22 VAL 68 30.625 47.743 37.813 563 HG23 VAL 68 HG23 VAL 68 30.300 48.955 39.073 564 H SER 69 H SER 69 33.599 46.421 41.748 565 HA SER 69 HA SER 69 35.433 48.694 41.464 566 HB2 SER 69 HB2 SER 69 35.763 45.847 42.464 567 HB3 SER 69 HB3 SER 69 37.135 46.921 42.206 568 HG SER 69 HG SER 69 36.458 47.205 44.236 569 H VAL 70 H VAL 70 35.016 48.914 39.020 570 HA VAL 70 HA VAL 70 36.952 47.188 37.538 571 HB VAL 70 HB VAL 70 35.638 47.341 35.575 572 HG11 VAL 70 HG11 VAL 70 34.933 45.615 37.185 573 HG12 VAL 70 HG12 VAL 70 33.730 46.729 37.873 574 HG13 VAL 70 HG13 VAL 70 33.574 46.173 36.202 575 HG21 VAL 70 HG21 VAL 70 33.844 49.318 37.064 576 HG22 VAL 70 HG22 VAL 70 34.758 49.573 35.571 577 HG23 VAL 70 HG23 VAL 70 33.364 48.489 35.574 578 HA PRO 71 HA PRO 71 39.157 50.799 37.004 579 HB2 PRO 71 HB2 PRO 71 41.036 50.117 35.326 580 HB3 PRO 71 HB3 PRO 71 40.617 49.016 36.665 581 HG2 PRO 71 HG2 PRO 71 39.724 48.770 33.775 582 HG3 PRO 71 HG3 PRO 71 40.362 47.486 34.821 583 HD2 PRO 71 HD2 PRO 71 37.660 48.181 34.427 584 HD3 PRO 71 HD3 PRO 71 38.270 47.144 35.753 585 H TYR 72 H TYR 72 37.451 52.377 36.267 586 HA TYR 72 HA TYR 72 36.428 52.387 33.656 587 HB2 TYR 72 HB2 TYR 72 35.436 53.279 35.715 588 HB3 TYR 72 HB3 TYR 72 36.553 54.619 35.702 589 HD1 TYR 72 HD1 TYR 72 36.441 56.177 33.529 590 HD2 TYR 72 HD2 TYR 72 33.499 53.196 34.502 591 HE1 TYR 72 HE1 TYR 72 34.736 57.441 32.231 592 HE2 TYR 72 HE2 TYR 72 31.865 54.305 32.966 593 HH TYR 72 HH TYR 72 32.431 57.473 31.709 594 H ALA 73 H ALA 73 39.118 54.330 35.010 595 HA ALA 73 HA ALA 73 39.753 55.980 32.803 596 HB1 ALA 73 HB1 ALA 73 41.374 54.873 35.090 597 HB2 ALA 73 HB2 ALA 73 42.106 55.797 33.750 598 HB3 ALA 73 HB3 ALA 73 40.856 56.554 34.718 599 H MET 74 H MET 74 40.328 52.553 33.304 600 HA MET 74 HA MET 74 42.401 52.237 31.298 601 HB2 MET 74 HB2 MET 74 41.585 50.677 33.373 602 HB3 MET 74 HB3 MET 74 40.619 49.954 32.078 603 HG2 MET 74 HG2 MET 74 42.697 49.484 30.820 604 HG3 MET 74 HG3 MET 74 43.644 50.165 32.153 605 HE1 MET 74 HE1 MET 74 43.725 46.034 31.864 606 HE2 MET 74 HE2 MET 74 42.946 47.005 30.597 607 HE3 MET 74 HE3 MET 74 44.527 47.497 31.245 608 H ASN 75 H ASN 75 38.927 52.560 31.101 609 HA ASN 75 HA ASN 75 39.093 51.817 28.208 610 HB2 ASN 75 HB2 ASN 75 37.169 50.840 29.396 611 HB3 ASN 75 HB3 ASN 75 36.699 52.449 29.949 612 HD21 ASN 75 HD22 ASN 75 35.283 53.559 28.599 613 HD22 ASN 75 HD21 ASN 75 34.948 53.110 26.927 614 H LEU 76 H LEU 76 38.476 54.609 30.408 615 HA LEU 76 HA LEU 76 37.718 56.353 28.318 616 HB2 LEU 76 HB2 LEU 76 37.281 56.632 30.784 617 HB3 LEU 76 HB3 LEU 76 38.975 57.032 31.006 618 HG LEU 76 HG LEU 76 38.528 59.034 29.408 619 HD11 LEU 76 HD11 LEU 76 36.191 59.793 29.229 620 HD12 LEU 76 HD12 LEU 76 36.377 58.189 28.503 621 HD13 LEU 76 HD13 LEU 76 35.649 58.360 30.114 622 HD21 LEU 76 HD21 LEU 76 37.834 60.507 31.106 623 HD22 LEU 76 HD22 LEU 76 36.934 59.268 31.981 624 HD23 LEU 76 HD23 LEU 76 38.722 59.253 31.950 625 H LEU 77 H LEU 77 40.993 55.487 29.563 626 HA LEU 77 HA LEU 77 42.172 57.699 27.952 627 HB2 LEU 77 HB2 LEU 77 43.076 56.805 30.692 628 HB3 LEU 77 HB3 LEU 77 43.671 58.182 29.794 629 HG LEU 77 HG LEU 77 40.695 58.143 30.343 630 HD11 LEU 77 HD11 LEU 77 41.706 57.332 32.362 631 HD12 LEU 77 HD12 LEU 77 42.771 58.758 32.432 632 HD13 LEU 77 HD13 LEU 77 40.982 58.939 32.552 633 HD21 LEU 77 HD21 LEU 77 41.923 59.880 28.955 634 HD22 LEU 77 HD22 LEU 77 40.908 60.488 30.257 635 HD23 LEU 77 HD23 LEU 77 42.660 60.455 30.471 636 H ASN 78 H ASN 78 43.865 55.221 29.885 637 HA ASN 78 HA ASN 78 45.822 54.020 29.098 638 HB2 ASN 78 HB2 ASN 78 43.985 52.871 29.986 639 HB3 ASN 78 HB3 ASN 78 43.158 52.769 28.407 640 HD21 ASN 78 HD22 ASN 78 44.782 51.460 26.740 641 HD22 ASN 78 HD21 ASN 78 45.511 50.065 27.547 642 H GLY 79 H GLY 79 46.586 55.676 27.593 643 HA2 GLY 79 HA2 GLY 79 47.953 55.092 25.565 644 HA3 GLY 79 HA3 GLY 79 46.414 54.889 24.705 645 H ILE 80 H ILE 80 46.922 57.436 27.114 646 HA ILE 80 HA ILE 80 46.951 59.498 24.979 647 HB ILE 80 HB ILE 80 45.234 60.759 26.131 648 HG12 ILE 80 HG12 ILE 80 44.084 58.856 27.922 649 HG13 ILE 80 HG13 ILE 80 45.800 59.004 28.323 650 HG21 ILE 80 HG21 ILE 80 44.221 57.941 25.686 651 HG22 ILE 80 HG22 ILE 80 43.229 59.405 25.819 652 HG23 ILE 80 HG23 ILE 80 44.350 59.242 24.452 653 HD11 ILE 80 HD11 ILE 80 43.745 61.243 28.023 654 HD12 ILE 80 HD12 ILE 80 44.600 60.793 29.522 655 HD13 ILE 80 HD13 ILE 80 45.477 61.560 28.174 656 H LYS 81 H LYS 81 47.641 61.546 25.578 657 HA LYS 81 HA LYS 81 48.709 62.189 28.175 658 HB2 LYS 81 HB2 LYS 81 51.125 62.491 27.094 659 HB3 LYS 81 HB3 LYS 81 50.613 61.019 27.889 660 HG2 LYS 81 HG2 LYS 81 51.772 60.357 25.923 661 HG3 LYS 81 HG3 LYS 81 50.075 60.084 25.574 662 HD2 LYS 81 HD2 LYS 81 50.001 62.197 24.262 663 HD3 LYS 81 HD3 LYS 81 51.637 62.600 24.810 664 HE2 LYS 81 HE2 LYS 81 52.417 60.437 23.660 665 HE3 LYS 81 HE3 LYS 81 50.815 60.350 22.929 666 HZ1 LYS 81 HZ1 LYS 81 52.627 62.652 22.544 667 HZ2 LYS 81 HZ2 LYS 81 52.340 61.471 21.445 668 HZ3 LYS 81 HZ3 LYS 81 51.158 62.471 21.930 669 H LEU 82 H LEU 82 49.950 64.097 28.180 670 HA LEU 82 HA LEU 82 49.160 66.265 26.247 671 HB2 LEU 82 HB2 LEU 82 48.306 66.356 28.602 672 HB3 LEU 82 HB3 LEU 82 49.970 66.202 29.169 673 HG LEU 82 HG LEU 82 50.553 68.370 28.183 674 HD11 LEU 82 HD11 LEU 82 47.637 68.315 27.255 675 HD12 LEU 82 HD12 LEU 82 48.577 69.822 27.364 676 HD13 LEU 82 HD13 LEU 82 49.059 68.546 26.248 677 HD21 LEU 82 HD21 LEU 82 49.494 67.879 30.489 678 HD22 LEU 82 HD22 LEU 82 49.544 69.555 29.966 679 HD23 LEU 82 HD23 LEU 82 48.025 68.624 29.827 680 H TYR 83 H TYR 83 51.697 64.722 28.101 681 HA TYR 83 HA TYR 83 53.782 66.580 27.219 682 HB2 TYR 83 HB2 TYR 83 53.772 64.260 29.176 683 HB3 TYR 83 HB3 TYR 83 55.184 65.253 28.770 684 HD1 TYR 83 HD1 TYR 83 52.311 67.415 29.091 685 HD2 TYR 83 HD2 TYR 83 55.257 65.156 31.312 686 HE1 TYR 83 HE1 TYR 83 51.890 68.809 31.108 687 HE2 TYR 83 HE2 TYR 83 54.911 66.668 33.272 688 HH TYR 83 HH TYR 83 52.466 69.099 33.298 689 H GLY 84 H GLY 84 53.587 62.924 27.293 690 HA2 GLY 84 HA2 GLY 84 54.422 62.594 24.599 691 HA3 GLY 84 HA3 GLY 84 55.857 62.591 25.623 692 H ARG 85 H ARG 85 54.618 61.122 27.928 693 HA ARG 85 HA ARG 85 54.636 58.474 26.615 694 HB2 ARG 85 HB2 ARG 85 55.652 59.201 29.356 695 HB3 ARG 85 HB3 ARG 85 55.218 57.576 28.866 696 HG2 ARG 85 HG2 ARG 85 57.405 57.475 28.196 697 HG3 ARG 85 HG3 ARG 85 56.759 58.172 26.720 698 HD2 ARG 85 HD2 ARG 85 57.258 60.480 27.685 699 HD3 ARG 85 HD3 ARG 85 58.045 59.693 29.033 700 HE ARG 85 HE ARG 85 59.048 59.991 26.252 701 HH11 ARG 85 HH11 ARG 85 59.515 58.370 29.340 702 HH12 ARG 85 HH12 ARG 85 61.243 58.297 29.099 703 HH21 ARG 85 HH21 ARG 85 61.041 59.594 25.851 704 HH22 ARG 85 HH22 ARG 85 62.065 58.684 26.946 705 HA PRO 86 HA PRO 86 50.359 58.853 27.363 706 HB2 PRO 86 HB2 PRO 86 49.584 56.355 26.301 707 HB3 PRO 86 HB3 PRO 86 49.939 57.826 25.315 708 HG2 PRO 86 HG2 PRO 86 51.735 55.525 26.015 709 HG3 PRO 86 HG3 PRO 86 51.511 56.338 24.415 710 HD2 PRO 86 HD2 PRO 86 53.620 57.001 25.893 711 HD3 PRO 86 HD3 PRO 86 52.642 58.296 25.158 712 H ILE 87 H ILE 87 49.053 58.529 29.042 713 HA ILE 87 HA ILE 87 49.892 56.913 31.208 714 HB ILE 87 HB ILE 87 47.398 58.465 30.573 715 HG12 ILE 87 HG12 ILE 87 49.199 59.842 31.440 716 HG13 ILE 87 HG13 ILE 87 47.989 59.724 32.691 717 HG21 ILE 87 HG21 ILE 87 47.602 56.420 32.788 718 HG22 ILE 87 HG22 ILE 87 46.601 57.866 32.979 719 HG23 ILE 87 HG23 ILE 87 46.313 56.752 31.623 720 HD11 ILE 87 HD11 ILE 87 49.966 59.574 33.799 721 HD12 ILE 87 HD12 ILE 87 49.316 57.922 33.803 722 HD13 ILE 87 HD13 ILE 87 50.662 58.360 32.708 723 H LYS 88 H LYS 88 49.734 54.904 31.520 724 HA LYS 88 HA LYS 88 47.812 53.095 30.126 725 HB2 LYS 88 HB2 LYS 88 50.158 52.904 29.487 726 HB3 LYS 88 HB3 LYS 88 50.656 52.777 31.178 727 HG2 LYS 88 HG2 LYS 88 50.707 50.689 29.938 728 HG3 LYS 88 HG3 LYS 88 49.662 50.576 31.365 729 HD2 LYS 88 HD2 LYS 88 47.655 50.802 30.048 730 HD3 LYS 88 HD3 LYS 88 48.570 51.237 28.596 731 HE2 LYS 88 HE2 LYS 88 48.934 48.590 30.024 732 HE3 LYS 88 HE3 LYS 88 47.618 48.831 28.866 733 HZ1 LYS 88 HZ1 LYS 88 50.066 49.688 27.733 734 HZ2 LYS 88 HZ2 LYS 88 50.172 48.134 28.171 735 HZ3 LYS 88 HZ3 LYS 88 48.975 48.633 27.179 736 H ILE 89 H ILE 89 46.213 52.538 31.447 737 HA ILE 89 HA ILE 89 46.612 52.470 34.404 738 HB ILE 89 HB ILE 89 44.069 52.252 32.767 739 HG12 ILE 89 HG12 ILE 89 43.759 54.490 34.218 740 HG13 ILE 89 HG13 ILE 89 45.499 54.552 34.149 741 HG21 ILE 89 HG21 ILE 89 44.484 52.492 35.766 742 HG22 ILE 89 HG22 ILE 89 42.915 52.454 34.904 743 HG23 ILE 89 HG23 ILE 89 43.938 51.026 34.935 744 HD11 ILE 89 HD11 ILE 89 43.702 54.314 31.689 745 HD12 ILE 89 HD12 ILE 89 44.280 55.860 32.349 746 HD13 ILE 89 HD13 ILE 89 45.429 54.702 31.669 747 H GLN 90 H GLN 90 46.397 50.559 35.674 748 HA GLN 90 HA GLN 90 46.138 47.984 34.229 749 HB2 GLN 90 HB2 GLN 90 48.402 48.900 36.006 750 HB3 GLN 90 HB3 GLN 90 48.123 47.188 35.686 751 HG2 GLN 90 HG2 GLN 90 48.745 49.317 33.622 752 HG3 GLN 90 HG3 GLN 90 49.837 48.068 34.224 753 HE21 GLN 90 HE22 GLN 90 46.925 48.410 32.050 754 HE22 GLN 90 HE21 GLN 90 47.320 46.907 31.255 755 H PHE 91 H PHE 91 45.849 46.139 35.496 756 HA PHE 91 HA PHE 91 44.288 46.351 37.958 757 HB2 PHE 91 HB2 PHE 91 42.890 47.518 36.149 758 HB3 PHE 91 HB3 PHE 91 42.797 45.975 35.321 759 HD1 PHE 91 HD2 PHE 91 42.303 47.464 38.733 760 HD2 PHE 91 HD1 PHE 91 41.059 44.515 35.856 761 HE1 PHE 91 HE2 PHE 91 40.385 46.862 40.188 762 HE2 PHE 91 HE1 PHE 91 39.133 43.911 37.309 763 HZ PHE 91 HZ PHE 91 38.755 45.131 39.437 764 H ARG 92 H ARG 92 43.474 44.307 38.675 765 HA ARG 92 HA ARG 92 43.615 41.980 36.980 766 HB2 ARG 92 HB2 ARG 92 46.031 42.396 37.874 767 HB3 ARG 92 HB3 ARG 92 45.417 41.912 39.443 768 HG2 ARG 92 HG2 ARG 92 46.448 39.965 38.482 769 HG3 ARG 92 HG3 ARG 92 44.715 39.696 38.373 770 HD2 ARG 92 HD2 ARG 92 44.691 40.322 36.030 771 HD3 ARG 92 HD3 ARG 92 46.363 40.908 36.095 772 HE ARG 92 HE ARG 92 46.200 38.066 36.725 773 HH11 ARG 92 HH11 ARG 92 46.043 40.308 33.896 774 HH12 ARG 92 HH12 ARG 92 46.386 38.980 32.850 775 HH21 ARG 92 HH21 ARG 92 46.762 36.617 35.202 776 HH22 ARG 92 HH22 ARG 92 46.341 36.953 33.510 777 H SER 93 H SER 93 42.216 40.293 37.737 778 HA SER 93 HA SER 93 41.302 40.328 40.546 779 HB2 SER 93 HB2 SER 93 38.921 40.560 39.929 780 HB3 SER 93 HB3 SER 93 39.847 42.004 39.532 781 HG SER 93 HG SER 93 39.065 39.979 37.768 782 H GLY 94 H GLY 94 39.815 38.476 41.089 783 HA2 GLY 94 HA2 GLY 94 38.843 36.440 39.605 784 HA3 GLY 94 HA3 GLY 94 40.542 36.000 39.705 785 H SER 95 H SER 95 40.868 37.064 42.460 786 HA SER 95 HA SER 95 39.527 34.890 43.983 787 HB2 SER 95 HB2 SER 95 42.124 36.348 44.608 788 HB3 SER 95 HB3 SER 95 41.395 35.034 45.529 789 HG SER 95 HG SER 95 42.863 34.296 44.066 790 H SER 96 H SER 96 38.993 38.133 43.728 791 HA SER 96 HA SER 96 38.220 38.441 46.588 792 HB2 SER 96 HB2 SER 96 38.461 40.764 44.655 793 HB3 SER 96 HB3 SER 96 38.355 40.783 46.425 794 HG SER 96 HG SER 96 40.461 39.759 44.923 795 H HIS 97 H HIS 97 36.734 37.082 44.351 796 HA HIS 97 HA HIS 97 34.220 38.346 43.946 797 HB2 HIS 97 HB2 HIS 97 33.573 36.102 43.233 798 HB3 HIS 97 HB3 HIS 97 35.124 36.634 42.522 799 HD2 HIS 97 HD2 HIS 97 33.575 33.876 44.425 800 HE1 HIS 97 HE1 HIS 97 37.739 33.398 45.176 801 HE2 HIS 97 HE2 HIS 97 35.447 32.312 45.394 802 H ALA 98 H ALA 98 32.308 38.085 44.898 803 HA ALA 98 HA ALA 98 32.038 37.045 47.678 804 HB1 ALA 98 HB1 ALA 98 32.896 39.334 47.866 805 HB2 ALA 98 HB2 ALA 98 31.708 39.908 46.656 806 HB3 ALA 98 HB3 ALA 98 31.151 39.386 48.233 807 HA PRO 99 HA PRO 99 27.860 36.554 46.311 808 HB2 PRO 99 HB2 PRO 99 26.350 36.942 48.560 809 HB3 PRO 99 HB3 PRO 99 27.330 35.487 48.208 810 HG2 PRO 99 HG2 PRO 99 28.141 37.925 49.873 811 HG3 PRO 99 HG3 PRO 99 28.259 36.199 50.354 812 HD2 PRO 99 HD2 PRO 99 30.401 37.469 49.366 813 HD3 PRO 99 HD3 PRO 99 30.022 35.812 48.830 814 H GLN 100 H GLN 100 25.899 37.562 45.856 815 HA GLN 100 HA GLN 100 25.964 40.454 45.577 816 HB2 GLN 100 HB2 GLN 100 25.367 39.048 43.740 817 HB3 GLN 100 HB3 GLN 100 24.086 38.230 44.639 818 HG2 GLN 100 HG2 GLN 100 22.756 40.180 44.805 819 HG3 GLN 100 HG3 GLN 100 24.058 41.227 44.189 820 HE21 GLN 100 HE22 GLN 100 21.307 40.888 43.274 821 HE22 GLN 100 HE21 GLN 100 21.383 40.372 41.601 822 H ASP 101 H ASP 101 23.339 38.263 46.583 823 HA ASP 101 HA ASP 101 23.048 39.746 49.127 824 HB2 ASP 101 HB2 ASP 101 21.415 40.325 47.204 825 HB3 ASP 101 HB3 ASP 101 20.707 38.743 47.493 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 52.417 32.362 14.912 2 H2 GLY 1 H2 GLY 1 52.930 31.851 16.348 3 H3 GLY 1 H3 GLY 1 54.011 32.103 15.093 4 HA2 GLY 1 HA2 GLY 1 53.632 34.446 15.134 5 HA3 GLY 1 HA3 GLY 1 52.302 34.195 16.279 6 H SER 2 H SER 2 54.202 36.052 16.935 7 HA SER 2 HA SER 2 55.801 34.971 19.173 8 HB2 SER 2 HB2 SER 2 57.778 35.931 18.362 9 HB3 SER 2 HB3 SER 2 57.093 35.169 16.928 10 HG SER 2 HG SER 2 57.918 37.279 16.722 11 H GLU 3 H GLU 3 56.394 36.606 20.714 12 HA GLU 3 HA GLU 3 55.463 39.339 20.320 13 HB2 GLU 3 HB2 GLU 3 53.601 37.762 21.536 14 HB3 GLU 3 HB3 GLU 3 54.582 38.212 22.942 15 HG2 GLU 3 HG2 GLU 3 52.863 39.776 22.810 16 HG3 GLU 3 HG3 GLU 3 54.318 40.627 22.294 17 H PHE 4 H PHE 4 56.423 40.794 21.312 18 HA PHE 4 HA PHE 4 58.637 40.269 23.214 19 HB2 PHE 4 HB2 PHE 4 59.193 40.787 20.808 20 HB3 PHE 4 HB3 PHE 4 58.240 42.245 20.924 21 HD1 PHE 4 HD2 PHE 4 61.059 40.439 22.569 22 HD2 PHE 4 HD1 PHE 4 59.270 44.222 21.627 23 HE1 PHE 4 HE2 PHE 4 63.158 41.588 23.268 24 HE2 PHE 4 HE1 PHE 4 61.367 45.395 22.364 25 HZ PHE 4 HZ PHE 4 63.316 44.045 23.140 26 H GLU 5 H GLU 5 56.177 42.669 22.128 27 HA GLU 5 HA GLU 5 56.279 44.062 24.738 28 HB2 GLU 5 HB2 GLU 5 54.678 44.677 22.225 29 HB3 GLU 5 HB3 GLU 5 54.632 45.600 23.751 30 HG2 GLU 5 HG2 GLU 5 57.041 46.038 23.576 31 HG3 GLU 5 HG3 GLU 5 57.096 45.158 22.039 32 H LEU 6 H LEU 6 55.770 41.735 25.457 33 HA LEU 6 HA LEU 6 52.903 41.078 25.297 34 HB2 LEU 6 HB2 LEU 6 54.899 39.450 24.928 35 HB3 LEU 6 HB3 LEU 6 55.156 39.603 26.659 36 HG LEU 6 HG LEU 6 52.958 38.628 27.151 37 HD11 LEU 6 HD11 LEU 6 51.860 39.272 24.829 38 HD12 LEU 6 HD12 LEU 6 52.511 37.704 24.323 39 HD13 LEU 6 HD13 LEU 6 51.405 37.816 25.701 40 HD21 LEU 6 HD21 LEU 6 54.600 36.852 25.327 41 HD22 LEU 6 HD22 LEU 6 54.970 37.256 27.012 42 HD23 LEU 6 HD23 LEU 6 53.506 36.348 26.637 43 H ARG 7 H ARG 7 51.873 40.268 27.193 44 HA ARG 7 HA ARG 7 51.671 42.221 29.291 45 HB2 ARG 7 HB2 ARG 7 50.637 39.374 28.990 46 HB3 ARG 7 HB3 ARG 7 50.223 40.490 30.304 47 HG2 ARG 7 HG2 ARG 7 48.401 40.750 28.956 48 HG3 ARG 7 HG3 ARG 7 49.416 42.073 28.380 49 HD2 ARG 7 HD2 ARG 7 48.383 41.080 26.533 50 HD3 ARG 7 HD3 ARG 7 50.112 40.598 26.455 51 HE ARG 7 HE ARG 7 48.569 38.590 27.786 52 HH11 ARG 7 HH11 ARG 7 49.112 39.734 24.396 53 HH12 ARG 7 HH12 ARG 7 48.167 38.392 23.817 54 HH21 ARG 7 HH21 ARG 7 47.399 37.056 26.787 55 HH22 ARG 7 HH22 ARG 7 47.506 36.824 25.074 56 H ARG 8 H ARG 8 53.180 42.360 31.004 57 HA ARG 8 HA ARG 8 53.846 39.935 32.507 58 HB2 ARG 8 HB2 ARG 8 56.320 40.545 32.553 59 HB3 ARG 8 HB3 ARG 8 55.687 39.791 31.099 60 HG2 ARG 8 HG2 ARG 8 55.448 42.208 30.125 61 HG3 ARG 8 HG3 ARG 8 56.386 42.733 31.527 62 HD2 ARG 8 HD2 ARG 8 58.220 41.192 30.636 63 HD3 ARG 8 HD3 ARG 8 57.139 40.942 29.223 64 HE ARG 8 HE ARG 8 57.697 43.739 30.013 65 HH11 ARG 8 HH11 ARG 8 58.141 41.251 27.544 66 HH12 ARG 8 HH12 ARG 8 58.717 42.452 26.414 67 HH21 ARG 8 HH21 ARG 8 58.870 44.971 28.637 68 HH22 ARG 8 HH22 ARG 8 59.113 44.455 26.973 69 H GLN 9 H GLN 9 54.515 40.142 34.603 70 HA GLN 9 HA GLN 9 54.655 42.811 35.960 71 HB2 GLN 9 HB2 GLN 9 53.152 40.422 36.972 72 HB3 GLN 9 HB3 GLN 9 53.321 42.011 37.734 73 HG2 GLN 9 HG2 GLN 9 51.939 41.736 35.027 74 HG3 GLN 9 HG3 GLN 9 51.091 41.538 36.560 75 HE21 GLN 9 HE22 GLN 9 52.821 43.885 34.521 76 HE22 GLN 9 HE21 GLN 9 52.184 45.282 35.362 77 H GLN 10 H GLN 10 55.348 42.217 38.536 78 HA GLN 10 HA GLN 10 58.061 41.167 37.973 79 HB2 GLN 10 HB2 GLN 10 57.171 42.550 40.510 80 HB3 GLN 10 HB3 GLN 10 58.794 42.328 39.887 81 HG2 GLN 10 HG2 GLN 10 58.094 43.827 37.895 82 HG3 GLN 10 HG3 GLN 10 56.642 44.201 38.846 83 HE21 GLN 10 HE22 GLN 10 57.123 44.843 41.257 84 HE22 GLN 10 HE21 GLN 10 58.475 45.938 41.401 85 H ALA 11 H ALA 11 55.280 40.424 39.835 86 HA ALA 11 HA ALA 11 55.996 37.827 40.703 87 HB1 ALA 11 HB1 ALA 11 55.885 40.000 42.868 88 HB2 ALA 11 HB2 ALA 11 56.006 38.263 43.152 89 HB3 ALA 11 HB3 ALA 11 57.353 39.112 42.383 90 H LEU 12 H LEU 12 54.210 37.292 42.588 91 HA LEU 12 HA LEU 12 51.599 37.450 41.579 92 HB2 LEU 12 HB2 LEU 12 52.669 37.105 44.423 93 HB3 LEU 12 HB3 LEU 12 51.034 36.701 43.989 94 HG LEU 12 HG LEU 12 53.385 35.419 42.527 95 HD11 LEU 12 HD11 LEU 12 53.289 33.546 44.106 96 HD12 LEU 12 HD12 LEU 12 53.924 35.023 44.792 97 HD13 LEU 12 HD13 LEU 12 52.255 34.535 45.194 98 HD21 LEU 12 HD21 LEU 12 51.295 34.963 41.454 99 HD22 LEU 12 HD22 LEU 12 51.747 33.517 42.373 100 HD23 LEU 12 HD23 LEU 12 50.472 34.608 42.967 101 H ALA 13 H ALA 13 49.987 38.874 41.657 102 HA ALA 13 HA ALA 13 50.412 41.376 43.188 103 HB1 ALA 13 HB1 ALA 13 49.916 41.095 40.197 104 HB2 ALA 13 HB2 ALA 13 50.220 42.615 41.098 105 HB3 ALA 13 HB3 ALA 13 51.492 41.389 40.901 106 H GLU 14 H GLU 14 48.563 42.377 43.881 107 HA GLU 14 HA GLU 14 45.910 41.529 42.833 108 HB2 GLU 14 HB2 GLU 14 46.199 42.323 45.743 109 HB3 GLU 14 HB3 GLU 14 44.870 41.551 44.916 110 HG2 GLU 14 HG2 GLU 14 45.996 39.453 44.786 111 HG3 GLU 14 HG3 GLU 14 47.530 40.154 45.310 112 H ALA 15 H ALA 15 44.449 43.188 42.448 113 HA ALA 15 HA ALA 15 45.172 45.967 43.066 114 HB1 ALA 15 HB1 ALA 15 42.635 44.634 42.059 115 HB2 ALA 15 HB2 ALA 15 42.722 46.357 42.525 116 HB3 ALA 15 HB3 ALA 15 43.709 45.748 41.199 117 H ASP 16 H ASP 16 44.516 47.036 45.070 118 HA ASP 16 HA ASP 16 42.727 45.722 46.944 119 HB2 ASP 16 HB2 ASP 16 44.816 44.590 47.504 120 HB3 ASP 16 HB3 ASP 16 45.672 46.128 47.568 121 H ARG 17 H ARG 17 41.448 47.530 47.080 122 HA ARG 17 HA ARG 17 40.625 49.550 47.477 123 HB2 ARG 17 HB2 ARG 17 43.164 49.859 49.166 124 HB3 ARG 17 HB3 ARG 17 41.985 51.129 49.038 125 HG2 ARG 17 HG2 ARG 17 40.229 49.590 49.930 126 HG3 ARG 17 HG3 ARG 17 41.500 48.363 50.202 127 HD2 ARG 17 HD2 ARG 17 42.790 50.029 51.501 128 HD3 ARG 17 HD3 ARG 17 41.445 51.173 51.352 129 HE ARG 17 HE ARG 17 40.014 49.365 52.489 130 HH11 ARG 17 HH11 ARG 17 43.298 50.086 53.303 131 HH12 ARG 17 HH12 ARG 17 43.113 49.670 54.987 132 HH21 ARG 17 HH21 ARG 17 39.835 48.516 54.566 133 HH22 ARG 17 HH22 ARG 17 41.062 48.969 55.696 134 H THR 18 H THR 18 43.405 49.437 45.597 135 HA THR 18 HA THR 18 43.315 52.341 44.912 136 HB THR 18 HB THR 18 45.939 50.904 44.953 137 HG1 THR 18 HG1 THR 18 44.998 50.471 46.981 138 HG21 THR 18 HG21 THR 18 45.084 53.730 45.755 139 HG22 THR 18 HG22 THR 18 46.761 53.158 45.656 140 HG23 THR 18 HG23 THR 18 45.780 53.284 44.194 141 H LEU 19 H LEU 19 44.432 52.731 42.777 142 HA LEU 19 HA LEU 19 44.408 50.390 40.922 143 HB2 LEU 19 HB2 LEU 19 42.627 52.192 40.750 144 HB3 LEU 19 HB3 LEU 19 43.931 53.356 40.475 145 HG LEU 19 HG LEU 19 44.453 52.531 38.340 146 HD11 LEU 19 HD11 LEU 19 43.142 50.604 37.317 147 HD12 LEU 19 HD12 LEU 19 44.243 50.088 38.562 148 HD13 LEU 19 HD13 LEU 19 42.529 50.253 38.967 149 HD21 LEU 19 HD21 LEU 19 41.421 52.677 38.770 150 HD22 LEU 19 HD22 LEU 19 42.501 54.055 38.628 151 HD23 LEU 19 HD23 LEU 19 42.236 53.010 37.238 152 H PHE 20 H PHE 20 46.267 49.816 40.038 153 HA PHE 20 HA PHE 20 48.575 51.530 40.123 154 HB2 PHE 20 HB2 PHE 20 48.412 48.933 40.033 155 HB3 PHE 20 HB3 PHE 20 48.330 49.157 38.287 156 HD1 PHE 20 HD1 PHE 20 50.361 50.355 37.101 157 HD2 PHE 20 HD2 PHE 20 50.333 49.384 41.310 158 HE1 PHE 20 HE1 PHE 20 52.780 50.743 37.210 159 HE2 PHE 20 HE2 PHE 20 52.753 49.863 41.429 160 HZ PHE 20 HZ PHE 20 54.019 50.394 39.328 161 H VAL 21 H VAL 21 49.349 52.910 38.740 162 HA VAL 21 HA VAL 21 48.390 53.001 35.917 163 HB VAL 21 HB VAL 21 48.759 55.387 37.798 164 HG11 VAL 21 HG11 VAL 21 47.712 55.400 34.947 165 HG12 VAL 21 HG12 VAL 21 48.012 56.775 36.027 166 HG13 VAL 21 HG13 VAL 21 49.384 55.849 35.382 167 HG21 VAL 21 HG21 VAL 21 46.644 54.270 38.270 168 HG22 VAL 21 HG22 VAL 21 46.246 55.681 37.306 169 HG23 VAL 21 HG23 VAL 21 46.304 54.091 36.533 170 H GLY 22 H GLY 22 50.181 52.498 34.696 171 HA2 GLY 22 HA2 GLY 22 52.769 53.642 35.629 172 HA3 GLY 22 HA3 GLY 22 52.728 52.132 34.790 173 H ASN 23 H ASN 23 54.217 53.485 33.574 174 HA ASN 23 HA ASN 23 54.907 54.264 31.597 175 HB2 ASN 23 HB2 ASN 23 52.748 53.074 30.771 176 HB3 ASN 23 HB3 ASN 23 52.110 54.718 30.616 177 HD21 ASN 23 HD21 ASN 23 51.970 54.678 28.402 178 HD22 ASN 23 HD22 ASN 23 53.350 54.474 27.333 179 H LEU 24 H LEU 24 54.440 55.975 33.811 180 HA LEU 24 HA LEU 24 53.263 58.471 33.071 181 HB2 LEU 24 HB2 LEU 24 55.152 57.628 35.291 182 HB3 LEU 24 HB3 LEU 24 54.551 59.259 35.112 183 HG LEU 24 HG LEU 24 53.477 57.648 36.829 184 HD11 LEU 24 HD11 LEU 24 51.885 59.346 34.897 185 HD12 LEU 24 HD12 LEU 24 51.103 58.471 36.238 186 HD13 LEU 24 HD13 LEU 24 52.345 59.669 36.593 187 HD21 LEU 24 HD21 LEU 24 53.188 55.786 35.200 188 HD22 LEU 24 HD22 LEU 24 51.819 56.178 36.267 189 HD23 LEU 24 HD23 LEU 24 51.776 56.659 34.552 190 H GLU 25 H GLU 25 54.178 60.504 32.847 191 HA GLU 25 HA GLU 25 56.551 60.675 31.320 192 HB2 GLU 25 HB2 GLU 25 54.360 62.421 32.035 193 HB3 GLU 25 HB3 GLU 25 55.817 63.301 32.403 194 HG2 GLU 25 HG2 GLU 25 55.491 61.811 29.777 195 HG3 GLU 25 HG3 GLU 25 54.827 63.433 30.007 196 H THR 26 H THR 26 58.377 61.950 31.592 197 HA THR 26 HA THR 26 60.018 61.614 33.871 198 HB THR 26 HB THR 26 61.602 62.902 32.486 199 HG1 THR 26 HG1 THR 26 59.345 63.865 31.175 200 HG21 THR 26 HG21 THR 26 60.792 60.614 31.608 201 HG22 THR 26 HG22 THR 26 59.810 61.488 30.437 202 HG23 THR 26 HG23 THR 26 61.558 61.682 30.426 203 H LYS 27 H LYS 27 57.702 64.077 32.981 204 HA LYS 27 HA LYS 27 58.481 65.906 35.214 205 HB2 LYS 27 HB2 LYS 27 56.952 66.385 32.679 206 HB3 LYS 27 HB3 LYS 27 57.234 67.571 33.961 207 HG2 LYS 27 HG2 LYS 27 59.724 66.258 32.931 208 HG3 LYS 27 HG3 LYS 27 58.813 67.195 31.748 209 HD2 LYS 27 HD2 LYS 27 60.467 68.530 32.719 210 HD3 LYS 27 HD3 LYS 27 58.901 69.146 33.302 211 HE2 LYS 27 HE2 LYS 27 59.257 68.340 35.518 212 HE3 LYS 27 HE3 LYS 27 60.412 67.111 34.973 213 HZ1 LYS 27 HZ1 LYS 27 61.283 69.095 36.202 214 HZ2 LYS 27 HZ2 LYS 27 62.045 68.667 34.821 215 HZ3 LYS 27 HZ3 LYS 27 61.073 69.942 34.796 216 H VAL 28 H VAL 28 56.369 63.359 35.013 217 HA VAL 28 HA VAL 28 53.846 64.552 35.305 218 HB VAL 28 HB VAL 28 54.358 62.216 34.703 219 HG11 VAL 28 HG11 VAL 28 54.902 61.923 37.678 220 HG12 VAL 28 HG12 VAL 28 54.387 60.553 36.705 221 HG13 VAL 28 HG13 VAL 28 55.878 61.430 36.295 222 HG21 VAL 28 HG21 VAL 28 52.087 63.256 35.499 223 HG22 VAL 28 HG22 VAL 28 52.242 61.545 35.183 224 HG23 VAL 28 HG23 VAL 28 52.317 62.145 36.876 225 H THR 29 H THR 29 52.328 64.484 37.164 226 HA THR 29 HA THR 29 53.261 64.579 39.910 227 HB THR 29 HB THR 29 52.132 66.738 40.407 228 HG1 THR 29 HG1 THR 29 52.393 67.764 37.990 229 HG21 THR 29 HG21 THR 29 54.504 67.057 38.546 230 HG22 THR 29 HG22 THR 29 53.940 68.198 39.804 231 HG23 THR 29 HG23 THR 29 54.552 66.590 40.260 232 H GLU 30 H GLU 30 51.279 65.030 41.349 233 HA GLU 30 HA GLU 30 49.105 63.285 40.687 234 HB2 GLU 30 HB2 GLU 30 49.097 65.415 42.871 235 HB3 GLU 30 HB3 GLU 30 48.083 63.982 42.750 236 HG2 GLU 30 HG2 GLU 30 50.143 62.545 42.936 237 HG3 GLU 30 HG3 GLU 30 51.111 63.965 43.067 238 H GLU 31 H GLU 31 49.621 66.708 40.130 239 HA GLU 31 HA GLU 31 46.786 67.241 39.637 240 HB2 GLU 31 HB2 GLU 31 49.246 68.819 38.878 241 HB3 GLU 31 HB3 GLU 31 47.575 69.457 38.984 242 HG2 GLU 31 HG2 GLU 31 47.767 68.796 41.512 243 HG3 GLU 31 HG3 GLU 31 49.496 68.648 41.156 244 H LEU 32 H LEU 32 49.529 66.282 37.598 245 HA LEU 32 HA LEU 32 48.041 66.674 35.130 246 HB2 LEU 32 HB2 LEU 32 50.632 66.435 35.345 247 HB3 LEU 32 HB3 LEU 32 50.353 64.718 35.586 248 HG LEU 32 HG LEU 32 49.263 64.599 33.310 249 HD11 LEU 32 HD11 LEU 32 49.777 66.618 31.804 250 HD12 LEU 32 HD12 LEU 32 48.484 66.840 32.977 251 HD13 LEU 32 HD13 LEU 32 50.084 67.526 33.303 252 HD21 LEU 32 HD21 LEU 32 51.482 64.986 32.093 253 HD22 LEU 32 HD22 LEU 32 52.104 65.624 33.631 254 HD23 LEU 32 HD23 LEU 32 51.567 63.930 33.497 255 H LEU 33 H LEU 33 48.427 64.036 37.430 256 HA LEU 33 HA LEU 33 46.733 62.168 35.999 257 HB2 LEU 33 HB2 LEU 33 47.545 62.431 38.888 258 HB3 LEU 33 HB3 LEU 33 46.837 60.957 38.157 259 HG LEU 33 HG LEU 33 49.565 62.210 37.606 260 HD11 LEU 33 HD11 LEU 33 48.756 59.689 39.058 261 HD12 LEU 33 HD12 LEU 33 50.423 60.195 38.644 262 HD13 LEU 33 HD13 LEU 33 49.428 61.214 39.717 263 HD21 LEU 33 HD21 LEU 33 48.576 59.606 36.458 264 HD22 LEU 33 HD22 LEU 33 48.643 61.158 35.562 265 HD23 LEU 33 HD23 LEU 33 50.127 60.475 36.197 266 H PHE 34 H PHE 34 46.067 64.457 38.717 267 HA PHE 34 HA PHE 34 43.447 63.480 39.257 268 HB2 PHE 34 HB2 PHE 34 44.849 64.863 40.800 269 HB3 PHE 34 HB3 PHE 34 44.571 66.251 39.755 270 HD1 PHE 34 HD1 PHE 34 42.223 67.246 39.723 271 HD2 PHE 34 HD2 PHE 34 43.191 63.821 42.142 272 HE1 PHE 34 HE1 PHE 34 40.173 67.613 41.076 273 HE2 PHE 34 HE2 PHE 34 41.204 64.288 43.590 274 HZ PHE 34 HZ PHE 34 39.765 66.210 43.116 275 H GLU 35 H GLU 35 44.540 66.175 37.148 276 HA GLU 35 HA GLU 35 41.969 67.041 36.376 277 HB2 GLU 35 HB2 GLU 35 43.101 68.343 34.708 278 HB3 GLU 35 HB3 GLU 35 44.214 68.259 36.079 279 HG2 GLU 35 HG2 GLU 35 45.531 66.509 34.921 280 HG3 GLU 35 HG3 GLU 35 44.364 66.513 33.591 281 H LEU 36 H LEU 36 43.574 64.221 35.572 282 HA LEU 36 HA LEU 36 42.520 63.782 32.841 283 HB2 LEU 36 HB2 LEU 36 44.881 63.620 33.005 284 HB3 LEU 36 HB3 LEU 36 44.834 62.735 34.498 285 HG LEU 36 HG LEU 36 43.612 61.331 32.140 286 HD11 LEU 36 HD11 LEU 36 46.612 61.611 32.532 287 HD12 LEU 36 HD12 LEU 36 45.766 60.434 31.469 288 HD13 LEU 36 HD13 LEU 36 45.684 62.171 31.130 289 HD21 LEU 36 HD21 LEU 36 43.887 60.435 34.566 290 HD22 LEU 36 HD22 LEU 36 44.523 59.391 33.273 291 HD23 LEU 36 HD23 LEU 36 45.624 60.383 34.235 292 H PHE 37 H PHE 37 42.668 62.272 36.066 293 HA PHE 37 HA PHE 37 40.849 60.062 35.392 294 HB2 PHE 37 HB2 PHE 37 42.078 60.968 37.992 295 HB3 PHE 37 HB3 PHE 37 40.963 59.598 37.811 296 HD1 PHE 37 HD2 PHE 37 41.544 57.813 36.026 297 HD2 PHE 37 HD1 PHE 37 44.463 60.380 37.880 298 HE1 PHE 37 HE2 PHE 37 43.382 56.424 35.073 299 HE2 PHE 37 HE1 PHE 37 46.286 59.070 36.788 300 HZ PHE 37 HZ PHE 37 45.720 57.182 35.279 301 H HIS 38 H HIS 38 40.388 63.356 36.313 302 HA HIS 38 HA HIS 38 37.875 63.072 37.685 303 HB2 HIS 38 HB2 HIS 38 39.457 65.044 37.682 304 HB3 HIS 38 HB3 HIS 38 38.859 65.439 36.072 305 HD2 HIS 38 HD2 HIS 38 37.840 65.388 39.812 306 HE1 HIS 38 HE1 HIS 38 35.044 67.853 37.769 307 HE2 HIS 38 HE2 HIS 38 35.902 67.146 40.033 308 H GLN 39 H GLN 39 38.714 63.124 34.301 309 HA GLN 39 HA GLN 39 36.125 63.038 32.995 310 HB2 GLN 39 HB2 GLN 39 38.786 61.787 32.294 311 HB3 GLN 39 HB3 GLN 39 37.388 61.898 31.217 312 HG2 GLN 39 HG2 GLN 39 37.538 64.249 31.016 313 HG3 GLN 39 HG3 GLN 39 38.795 64.363 32.272 314 HE21 GLN 39 HE22 GLN 39 38.238 62.833 29.024 315 HE22 GLN 39 HE21 GLN 39 39.924 63.023 28.548 316 H ALA 40 H ALA 40 37.933 60.642 34.858 317 HA ALA 40 HA ALA 40 36.613 58.289 33.623 318 HB1 ALA 40 HB1 ALA 40 38.996 58.691 35.496 319 HB2 ALA 40 HB2 ALA 40 38.336 57.107 35.176 320 HB3 ALA 40 HB3 ALA 40 38.975 58.069 33.832 321 H GLY 41 H GLY 41 36.366 60.382 36.349 322 HA2 GLY 41 HA2 GLY 41 33.981 60.270 37.211 323 HA3 GLY 41 HA3 GLY 41 34.333 58.571 37.562 324 HA PRO 42 HA PRO 42 35.023 61.017 41.353 325 HB2 PRO 42 HB2 PRO 42 34.112 59.214 43.183 326 HB3 PRO 42 HB3 PRO 42 33.009 60.237 42.232 327 HG2 PRO 42 HG2 PRO 42 33.699 57.346 41.858 328 HG3 PRO 42 HG3 PRO 42 32.161 58.168 41.495 329 HD2 PRO 42 HD2 PRO 42 34.128 57.486 39.617 330 HD3 PRO 42 HD3 PRO 42 32.875 58.734 39.349 331 H VAL 43 H VAL 43 37.070 61.172 41.864 332 HA VAL 43 HA VAL 43 38.660 58.797 42.745 333 HB VAL 43 HB VAL 43 39.600 61.519 41.770 334 HG11 VAL 43 HG11 VAL 43 41.156 59.033 42.611 335 HG12 VAL 43 HG12 VAL 43 41.883 60.468 41.856 336 HG13 VAL 43 HG13 VAL 43 41.134 60.585 43.449 337 HG21 VAL 43 HG21 VAL 43 38.829 60.072 39.856 338 HG22 VAL 43 HG22 VAL 43 40.554 60.476 39.861 339 HG23 VAL 43 HG23 VAL 43 40.028 58.854 40.400 340 H ILE 44 H ILE 44 38.949 58.636 44.880 341 HA ILE 44 HA ILE 44 38.273 60.712 46.759 342 HB ILE 44 HB ILE 44 39.931 58.195 47.227 343 HG12 ILE 44 HG12 ILE 44 36.994 58.779 47.317 344 HG13 ILE 44 HG13 ILE 44 37.866 57.406 46.620 345 HG21 ILE 44 HG21 ILE 44 38.558 59.817 49.401 346 HG22 ILE 44 HG22 ILE 44 39.782 58.534 49.521 347 HG23 ILE 44 HG23 ILE 44 40.223 60.147 48.946 348 HD11 ILE 44 HD11 ILE 44 38.206 56.460 48.907 349 HD12 ILE 44 HD12 ILE 44 37.348 57.852 49.590 350 HD13 ILE 44 HD13 ILE 44 36.506 56.731 48.513 351 H LYS 45 H LYS 45 41.407 59.430 45.659 352 HA LYS 45 HA LYS 45 42.765 61.965 45.701 353 HB2 LYS 45 HB2 LYS 45 44.331 61.593 47.517 354 HB3 LYS 45 HB3 LYS 45 42.707 61.364 48.136 355 HG2 LYS 45 HG2 LYS 45 43.734 58.823 47.215 356 HG3 LYS 45 HG3 LYS 45 44.919 59.559 48.287 357 HD2 LYS 45 HD2 LYS 45 42.010 59.159 49.101 358 HD3 LYS 45 HD3 LYS 45 43.270 57.947 49.308 359 HE2 LYS 45 HE2 LYS 45 43.115 58.937 51.375 360 HE3 LYS 45 HE3 LYS 45 44.605 59.526 50.676 361 HZ1 LYS 45 HZ1 LYS 45 43.042 61.095 51.812 362 HZ2 LYS 45 HZ2 LYS 45 43.731 61.610 50.475 363 HZ3 LYS 45 HZ3 LYS 45 42.127 61.166 50.501 364 H VAL 46 H VAL 46 45.057 61.819 45.038 365 HA VAL 46 HA VAL 46 45.738 59.516 43.209 366 HB VAL 46 HB VAL 46 46.205 62.520 42.929 367 HG11 VAL 46 HG11 VAL 46 47.133 60.375 40.986 368 HG12 VAL 46 HG12 VAL 46 47.176 62.157 40.804 369 HG13 VAL 46 HG13 VAL 46 48.202 61.375 41.997 370 HG21 VAL 46 HG21 VAL 46 43.950 61.775 42.349 371 HG22 VAL 46 HG22 VAL 46 44.852 62.317 40.927 372 HG23 VAL 46 HG23 VAL 46 44.617 60.575 41.221 373 H LYS 47 H LYS 47 47.952 58.699 43.301 374 HA LYS 47 HA LYS 47 49.838 60.129 45.118 375 HB2 LYS 47 HB2 LYS 47 49.358 58.065 46.271 376 HB3 LYS 47 HB3 LYS 47 49.197 57.185 44.761 377 HG2 LYS 47 HG2 LYS 47 51.242 56.459 45.815 378 HG3 LYS 47 HG3 LYS 47 51.732 57.388 44.442 379 HD2 LYS 47 HD2 LYS 47 52.160 59.405 45.904 380 HD3 LYS 47 HD3 LYS 47 51.473 58.542 47.264 381 HE2 LYS 47 HE2 LYS 47 53.198 56.784 47.019 382 HE3 LYS 47 HE3 LYS 47 53.951 57.676 45.698 383 HZ1 LYS 47 HZ1 LYS 47 53.916 58.227 48.540 384 HZ2 LYS 47 HZ2 LYS 47 55.126 58.569 47.515 385 HZ3 LYS 47 HZ3 LYS 47 53.808 59.540 47.620 386 H ILE 48 H ILE 48 51.505 60.843 44.387 387 HA ILE 48 HA ILE 48 52.845 59.564 42.068 388 HB ILE 48 HB ILE 48 52.702 62.412 42.978 389 HG12 ILE 48 HG12 ILE 48 51.300 61.361 41.140 390 HG13 ILE 48 HG13 ILE 48 52.219 62.813 40.744 391 HG21 ILE 48 HG21 ILE 48 55.084 61.176 41.645 392 HG22 ILE 48 HG22 ILE 48 54.641 62.927 41.567 393 HG23 ILE 48 HG23 ILE 48 54.981 62.161 43.123 394 HD11 ILE 48 HD11 ILE 48 53.085 60.001 39.920 395 HD12 ILE 48 HD12 ILE 48 52.301 61.227 38.896 396 HD13 ILE 48 HD13 ILE 48 53.911 61.531 39.567 397 HA PRO 49 HA PRO 49 55.984 58.297 45.182 398 HB2 PRO 49 HB2 PRO 49 57.410 56.720 43.458 399 HB3 PRO 49 HB3 PRO 49 55.890 56.147 44.184 400 HG2 PRO 49 HG2 PRO 49 56.300 57.349 41.430 401 HG3 PRO 49 HG3 PRO 49 55.369 55.892 41.881 402 HD2 PRO 49 HD2 PRO 49 54.208 58.309 41.479 403 HD3 PRO 49 HD3 PRO 49 53.580 57.189 42.713 404 H LYS 50 H LYS 50 58.417 58.432 45.123 405 HA LYS 50 HA LYS 50 59.843 59.550 42.963 406 HB2 LYS 50 HB2 LYS 50 59.590 61.315 45.391 407 HB3 LYS 50 HB3 LYS 50 60.945 61.366 44.243 408 HG2 LYS 50 HG2 LYS 50 59.146 61.607 42.395 409 HG3 LYS 50 HG3 LYS 50 58.075 62.121 43.707 410 HD2 LYS 50 HD2 LYS 50 59.595 63.986 44.241 411 HD3 LYS 50 HD3 LYS 50 60.739 63.432 43.015 412 HE2 LYS 50 HE2 LYS 50 58.966 63.638 41.260 413 HE3 LYS 50 HE3 LYS 50 57.851 64.270 42.463 414 HZ1 LYS 50 HZ1 LYS 50 59.107 65.961 41.070 415 HZ2 LYS 50 HZ2 LYS 50 59.160 66.214 42.643 416 HZ3 LYS 50 HZ3 LYS 50 60.450 65.560 41.945 417 H ASP 51 H ASP 51 61.441 58.390 42.955 418 HA ASP 51 HA ASP 51 63.040 56.897 44.822 419 HB2 ASP 51 HB2 ASP 51 63.141 56.899 42.256 420 HB3 ASP 51 HB3 ASP 51 63.931 58.464 42.384 421 H LYS 52 H LYS 52 65.167 57.298 45.627 422 HA LYS 52 HA LYS 52 65.779 59.659 46.974 423 HB2 LYS 52 HB2 LYS 52 68.123 58.804 46.959 424 HB3 LYS 52 HB3 LYS 52 66.938 57.569 47.367 425 HG2 LYS 52 HG2 LYS 52 67.932 56.259 45.863 426 HG3 LYS 52 HG3 LYS 52 67.113 57.218 44.633 427 HD2 LYS 52 HD2 LYS 52 69.095 58.564 44.234 428 HD3 LYS 52 HD3 LYS 52 69.964 57.753 45.549 429 HE2 LYS 52 HE2 LYS 52 70.737 56.680 43.644 430 HE3 LYS 52 HE3 LYS 52 69.604 55.558 44.370 431 HZ1 LYS 52 HZ1 LYS 52 69.326 57.245 41.991 432 HZ2 LYS 52 HZ2 LYS 52 69.164 55.662 42.015 433 HZ3 LYS 52 HZ3 LYS 52 67.963 56.623 42.644 434 H ASP 53 H ASP 53 66.409 58.948 43.531 435 HA ASP 53 HA ASP 53 67.771 61.446 43.071 436 HB2 ASP 53 HB2 ASP 53 68.115 59.343 41.817 437 HB3 ASP 53 HB3 ASP 53 66.558 59.566 41.031 438 H GLY 54 H GLY 54 64.398 60.878 43.612 439 HA2 GLY 54 HA2 GLY 54 62.829 62.543 43.765 440 HA3 GLY 54 HA3 GLY 54 63.782 63.629 42.769 441 H LYS 55 H LYS 55 62.790 60.239 41.903 442 HA LYS 55 HA LYS 55 61.169 61.436 39.741 443 HB2 LYS 55 HB2 LYS 55 63.523 60.654 39.159 444 HB3 LYS 55 HB3 LYS 55 63.003 58.987 39.491 445 HG2 LYS 55 HG2 LYS 55 62.768 59.137 37.137 446 HG3 LYS 55 HG3 LYS 55 61.149 59.450 37.732 447 HD2 LYS 55 HD2 LYS 55 61.505 61.215 36.189 448 HD3 LYS 55 HD3 LYS 55 61.927 61.970 37.724 449 HE2 LYS 55 HE2 LYS 55 63.790 62.620 36.679 450 HE3 LYS 55 HE3 LYS 55 64.382 61.022 37.119 451 HZ1 LYS 55 HZ1 LYS 55 64.861 61.410 34.879 452 HZ2 LYS 55 HZ2 LYS 55 63.734 60.286 34.863 453 HZ3 LYS 55 HZ3 LYS 55 63.376 61.878 34.493 454 HA PRO 56 HA PRO 56 57.998 58.705 41.069 455 HB2 PRO 56 HB2 PRO 56 56.237 58.951 39.025 456 HB3 PRO 56 HB3 PRO 56 56.478 60.244 40.241 457 HG2 PRO 56 HG2 PRO 56 57.666 59.983 37.487 458 HG3 PRO 56 HG3 PRO 56 57.001 61.465 38.247 459 HD2 PRO 56 HD2 PRO 56 59.733 60.961 38.201 460 HD3 PRO 56 HD3 PRO 56 58.965 61.800 39.543 461 H LYS 57 H LYS 57 60.255 57.829 38.876 462 HA LYS 57 HA LYS 57 60.825 55.746 37.928 463 HB2 LYS 57 HB2 LYS 57 58.649 54.651 39.709 464 HB3 LYS 57 HB3 LYS 57 60.027 53.774 39.019 465 HG2 LYS 57 HG2 LYS 57 60.917 53.961 40.985 466 HG3 LYS 57 HG3 LYS 57 61.319 55.637 40.570 467 HD2 LYS 57 HD2 LYS 57 59.217 56.393 41.669 468 HD3 LYS 57 HD3 LYS 57 58.800 54.709 42.053 469 HE2 LYS 57 HE2 LYS 57 61.427 55.998 42.813 470 HE3 LYS 57 HE3 LYS 57 59.995 56.057 43.867 471 HZ1 LYS 57 HZ1 LYS 57 61.475 53.617 43.012 472 HZ2 LYS 57 HZ2 LYS 57 61.350 54.199 44.485 473 HZ3 LYS 57 HZ3 LYS 57 60.040 53.565 43.797 474 H GLN 58 H GLN 58 58.633 57.349 36.614 475 HA GLN 58 HA GLN 58 57.038 57.210 35.027 476 HB2 GLN 58 HB2 GLN 58 58.559 54.720 34.352 477 HB3 GLN 58 HB3 GLN 58 57.205 55.344 33.415 478 HG2 GLN 58 HG2 GLN 58 58.533 57.681 33.566 479 HG3 GLN 58 HG3 GLN 58 59.902 56.691 33.986 480 HE21 GLN 58 HE21 GLN 58 57.372 57.250 31.554 481 HE22 GLN 58 HE22 GLN 58 58.228 56.485 30.207 482 H PHE 59 H PHE 59 56.154 56.365 37.644 483 HA PHE 59 HA PHE 59 53.754 54.839 36.908 484 HB2 PHE 59 HB2 PHE 59 54.084 52.976 37.931 485 HB3 PHE 59 HB3 PHE 59 55.734 53.309 37.512 486 HD1 PHE 59 HD1 PHE 59 53.445 53.707 40.545 487 HD2 PHE 59 HD2 PHE 59 57.400 53.081 38.982 488 HE1 PHE 59 HE1 PHE 59 54.313 53.389 42.848 489 HE2 PHE 59 HE2 PHE 59 58.214 52.533 41.281 490 HZ PHE 59 HZ PHE 59 56.659 52.674 43.201 491 H ALA 60 H ALA 60 52.078 54.849 38.521 492 HA ALA 60 HA ALA 60 52.338 56.557 40.880 493 HB1 ALA 60 HB1 ALA 60 50.510 57.175 38.535 494 HB2 ALA 60 HB2 ALA 60 50.630 58.116 40.058 495 HB3 ALA 60 HB3 ALA 60 52.000 58.073 38.928 496 H PHE 61 H PHE 61 49.844 56.843 41.774 497 HA PHE 61 HA PHE 61 48.222 54.462 41.173 498 HB2 PHE 61 HB2 PHE 61 49.465 55.359 43.821 499 HB3 PHE 61 HB3 PHE 61 47.902 54.587 43.873 500 HD1 PHE 61 HD1 PHE 61 47.592 52.267 43.417 501 HD2 PHE 61 HD2 PHE 61 51.516 54.056 43.318 502 HE1 PHE 61 HE1 PHE 61 48.598 50.047 43.722 503 HE2 PHE 61 HE2 PHE 61 52.534 51.832 43.679 504 HZ PHE 61 HZ PHE 61 51.092 49.807 43.829 505 H VAL 62 H VAL 62 46.000 54.613 41.706 506 HA VAL 62 HA VAL 62 45.049 57.289 42.634 507 HB VAL 62 HB VAL 62 43.549 55.758 40.506 508 HG11 VAL 62 HG11 VAL 62 42.163 57.362 41.491 509 HG12 VAL 62 HG12 VAL 62 43.462 58.588 41.591 510 HG13 VAL 62 HG13 VAL 62 42.739 58.150 40.030 511 HG21 VAL 62 HG21 VAL 62 45.793 57.770 40.109 512 HG22 VAL 62 HG22 VAL 62 45.564 56.171 39.368 513 HG23 VAL 62 HG23 VAL 62 44.502 57.513 38.909 514 H ASN 63 H ASN 63 43.420 57.363 44.054 515 HA ASN 63 HA ASN 63 42.315 54.836 45.098 516 HB2 ASN 63 HB2 ASN 63 43.324 56.803 46.524 517 HB3 ASN 63 HB3 ASN 63 41.773 57.568 46.286 518 HD21 ASN 63 HD22 ASN 63 43.431 55.102 47.972 519 HD22 ASN 63 HD21 ASN 63 42.055 54.323 48.761 520 H PHE 64 H PHE 64 40.357 54.144 44.657 521 HA PHE 64 HA PHE 64 38.464 55.957 43.262 522 HB2 PHE 64 HB2 PHE 64 37.381 53.807 42.555 523 HB3 PHE 64 HB3 PHE 64 38.945 54.218 41.850 524 HD1 PHE 64 HD1 PHE 64 37.368 52.112 44.531 525 HD2 PHE 64 HD2 PHE 64 40.629 52.549 41.746 526 HE1 PHE 64 HE1 PHE 64 38.296 49.947 45.268 527 HE2 PHE 64 HE2 PHE 64 41.322 50.197 42.226 528 HZ PHE 64 HZ PHE 64 40.252 48.964 44.105 529 H LYS 65 H LYS 65 36.269 55.905 43.617 530 HA LYS 65 HA LYS 65 35.451 55.767 46.452 531 HB2 LYS 65 HB2 LYS 65 35.281 57.853 45.249 532 HB3 LYS 65 HB3 LYS 65 34.395 57.101 43.941 533 HG2 LYS 65 HG2 LYS 65 32.727 58.286 45.045 534 HG3 LYS 65 HG3 LYS 65 32.493 56.694 45.718 535 HD2 LYS 65 HD2 LYS 65 32.398 58.073 47.599 536 HD3 LYS 65 HD3 LYS 65 34.058 57.468 47.631 537 HE2 LYS 65 HE2 LYS 65 34.277 59.768 48.112 538 HE3 LYS 65 HE3 LYS 65 34.641 59.695 46.376 539 HZ1 LYS 65 HZ1 LYS 65 32.091 60.496 47.659 540 HZ2 LYS 65 HZ2 LYS 65 33.108 61.480 46.875 541 HZ3 LYS 65 HZ3 LYS 65 32.256 60.350 46.071 542 H HIS 66 H HIS 66 34.767 54.157 43.376 543 HA HIS 66 HA HIS 66 33.057 52.217 44.828 544 HB2 HIS 66 HB2 HIS 66 31.204 52.394 43.236 545 HB3 HIS 66 HB3 HIS 66 31.478 53.929 44.040 546 HD2 HIS 66 HD2 HIS 66 31.770 55.950 42.435 547 HE1 HIS 66 HE1 HIS 66 31.876 53.833 38.742 548 HE2 HIS 66 HE2 HIS 66 31.725 56.108 39.794 549 H GLU 67 H GLU 67 35.493 52.585 42.505 550 HA GLU 67 HA GLU 67 34.448 50.988 40.357 551 HB2 GLU 67 HB2 GLU 67 36.972 52.487 40.918 552 HB3 GLU 67 HB3 GLU 67 36.856 51.443 39.493 553 HG2 GLU 67 HG2 GLU 67 35.018 52.728 38.590 554 HG3 GLU 67 HG3 GLU 67 34.835 53.622 40.103 555 H VAL 68 H VAL 68 34.545 49.295 42.547 556 HA VAL 68 HA VAL 68 36.939 47.671 42.691 557 HB VAL 68 HB VAL 68 34.198 47.542 43.883 558 HG11 VAL 68 HG11 VAL 68 36.222 45.274 44.090 559 HG12 VAL 68 HG12 VAL 68 34.965 45.592 45.279 560 HG13 VAL 68 HG13 VAL 68 34.487 45.211 43.629 561 HG21 VAL 68 HG21 VAL 68 35.731 47.691 45.961 562 HG22 VAL 68 HG22 VAL 68 37.088 47.803 44.850 563 HG23 VAL 68 HG23 VAL 68 35.823 49.051 44.822 564 H SER 69 H SER 69 37.615 46.214 41.403 565 HA SER 69 HA SER 69 37.902 44.705 39.866 566 HB2 SER 69 HB2 SER 69 34.983 43.894 39.841 567 HB3 SER 69 HB3 SER 69 36.423 42.964 39.404 568 HG SER 69 HG SER 69 37.070 43.359 41.636 569 H VAL 70 H VAL 70 35.947 47.361 38.928 570 HA VAL 70 HA VAL 70 37.076 46.957 36.215 571 HB VAL 70 HB VAL 70 34.955 46.199 35.829 572 HG11 VAL 70 HG11 VAL 70 33.760 48.603 37.220 573 HG12 VAL 70 HG12 VAL 70 32.867 47.394 36.271 574 HG13 VAL 70 HG13 VAL 70 33.727 46.890 37.724 575 HG21 VAL 70 HG21 VAL 70 34.095 47.588 34.134 576 HG22 VAL 70 HG22 VAL 70 34.905 49.032 34.757 577 HG23 VAL 70 HG23 VAL 70 35.871 47.702 34.106 578 HA PRO 71 HA PRO 71 38.211 51.182 37.879 579 HB2 PRO 71 HB2 PRO 71 40.728 51.290 36.966 580 HB3 PRO 71 HB3 PRO 71 40.277 50.326 38.394 581 HG2 PRO 71 HG2 PRO 71 40.604 49.245 35.554 582 HG3 PRO 71 HG3 PRO 71 41.325 48.612 37.048 583 HD2 PRO 71 HD2 PRO 71 38.987 47.672 35.989 584 HD3 PRO 71 HD3 PRO 71 39.181 47.766 37.782 585 H TYR 72 H TYR 72 37.347 52.841 36.682 586 HA TYR 72 HA TYR 72 36.398 52.267 34.090 587 HB2 TYR 72 HB2 TYR 72 35.363 53.769 35.890 588 HB3 TYR 72 HB3 TYR 72 36.415 55.037 35.297 589 HD1 TYR 72 HD2 TYR 72 33.563 52.813 34.343 590 HD2 TYR 72 HD1 TYR 72 36.073 56.145 33.258 591 HE1 TYR 72 HE2 TYR 72 31.860 53.560 32.693 592 HE2 TYR 72 HE1 TYR 72 34.302 56.983 31.730 593 HH TYR 72 HH TYR 72 32.140 56.632 31.073 594 H ALA 73 H ALA 73 39.202 54.159 35.062 595 HA ALA 73 HA ALA 73 39.718 55.413 32.587 596 HB1 ALA 73 HB1 ALA 73 41.433 54.737 35.021 597 HB2 ALA 73 HB2 ALA 73 42.000 55.726 33.680 598 HB3 ALA 73 HB3 ALA 73 40.593 56.253 34.667 599 H MET 74 H MET 74 40.323 52.065 33.428 600 HA MET 74 HA MET 74 42.513 51.569 31.624 601 HB2 MET 74 HB2 MET 74 41.778 50.076 33.409 602 HB3 MET 74 HB3 MET 74 40.287 49.687 32.544 603 HG2 MET 74 HG2 MET 74 41.452 48.511 30.821 604 HG3 MET 74 HG3 MET 74 42.966 49.282 31.191 605 HE1 MET 74 HE1 MET 74 40.261 46.922 33.443 606 HE2 MET 74 HE2 MET 74 40.509 46.519 31.743 607 HE3 MET 74 HE3 MET 74 41.235 45.497 33.008 608 H ASN 75 H ASN 75 39.245 52.366 31.047 609 HA ASN 75 HA ASN 75 39.584 51.796 28.130 610 HB2 ASN 75 HB2 ASN 75 37.597 50.676 29.065 611 HB3 ASN 75 HB3 ASN 75 37.091 52.160 29.855 612 HD21 ASN 75 HD22 ASN 75 35.574 53.339 28.762 613 HD22 ASN 75 HD21 ASN 75 35.396 53.463 27.056 614 H LEU 76 H LEU 76 38.567 54.254 30.504 615 HA LEU 76 HA LEU 76 37.795 56.144 28.586 616 HB2 LEU 76 HB2 LEU 76 37.330 55.870 31.111 617 HB3 LEU 76 HB3 LEU 76 38.838 56.732 31.342 618 HG LEU 76 HG LEU 76 36.518 57.941 31.478 619 HD11 LEU 76 HD11 LEU 76 38.485 59.207 29.554 620 HD12 LEU 76 HD12 LEU 76 37.118 59.990 30.351 621 HD13 LEU 76 HD13 LEU 76 38.450 59.368 31.344 622 HD21 LEU 76 HD21 LEU 76 35.734 56.807 29.261 623 HD22 LEU 76 HD22 LEU 76 35.245 58.464 29.650 624 HD23 LEU 76 HD23 LEU 76 36.535 58.176 28.473 625 H LEU 77 H LEU 77 40.952 55.716 30.192 626 HA LEU 77 HA LEU 77 42.190 57.781 28.387 627 HB2 LEU 77 HB2 LEU 77 43.214 56.833 31.051 628 HB3 LEU 77 HB3 LEU 77 43.947 58.007 29.932 629 HG LEU 77 HG LEU 77 43.099 59.337 31.553 630 HD11 LEU 77 HD11 LEU 77 40.595 59.314 29.809 631 HD12 LEU 77 HD12 LEU 77 41.288 60.645 30.738 632 HD13 LEU 77 HD13 LEU 77 42.092 60.084 29.268 633 HD21 LEU 77 HD21 LEU 77 40.502 57.781 31.639 634 HD22 LEU 77 HD22 LEU 77 41.813 57.727 32.858 635 HD23 LEU 77 HD23 LEU 77 40.928 59.232 32.576 636 H ASN 78 H ASN 78 43.749 55.199 30.162 637 HA ASN 78 HA ASN 78 45.697 54.086 29.490 638 HB2 ASN 78 HB2 ASN 78 43.592 52.796 29.972 639 HB3 ASN 78 HB3 ASN 78 43.269 52.752 28.225 640 HD21 ASN 78 HD22 ASN 78 45.409 51.582 27.013 641 HD22 ASN 78 HD21 ASN 78 45.493 50.012 27.798 642 H GLY 79 H GLY 79 46.723 55.683 28.016 643 HA2 GLY 79 HA2 GLY 79 48.023 55.050 25.895 644 HA3 GLY 79 HA3 GLY 79 46.431 54.921 25.143 645 H ILE 80 H ILE 80 46.840 57.597 27.403 646 HA ILE 80 HA ILE 80 46.779 59.459 25.058 647 HB ILE 80 HB ILE 80 44.962 60.731 26.088 648 HG12 ILE 80 HG12 ILE 80 43.965 59.357 28.220 649 HG13 ILE 80 HG13 ILE 80 45.747 59.247 28.451 650 HG21 ILE 80 HG21 ILE 80 44.347 57.757 25.978 651 HG22 ILE 80 HG22 ILE 80 43.156 59.072 25.953 652 HG23 ILE 80 HG23 ILE 80 44.343 58.930 24.644 653 HD11 ILE 80 HD11 ILE 80 44.276 61.851 27.876 654 HD12 ILE 80 HD12 ILE 80 44.602 61.290 29.509 655 HD13 ILE 80 HD13 ILE 80 45.957 61.650 28.410 656 H LYS 81 H LYS 81 47.674 61.573 25.405 657 HA LYS 81 HA LYS 81 48.619 62.396 28.010 658 HB2 LYS 81 HB2 LYS 81 51.071 62.530 27.114 659 HB3 LYS 81 HB3 LYS 81 50.398 61.022 27.714 660 HG2 LYS 81 HG2 LYS 81 51.657 60.504 25.778 661 HG3 LYS 81 HG3 LYS 81 49.947 60.254 25.438 662 HD2 LYS 81 HD2 LYS 81 49.904 62.429 24.156 663 HD3 LYS 81 HD3 LYS 81 51.598 62.683 24.583 664 HE2 LYS 81 HE2 LYS 81 52.170 60.544 23.367 665 HE3 LYS 81 HE3 LYS 81 50.477 60.349 22.948 666 HZ1 LYS 81 HZ1 LYS 81 50.641 62.473 21.747 667 HZ2 LYS 81 HZ2 LYS 81 52.204 62.612 22.175 668 HZ3 LYS 81 HZ3 LYS 81 51.703 61.384 21.185 669 H LEU 82 H LEU 82 49.919 64.366 27.900 670 HA LEU 82 HA LEU 82 49.488 65.960 25.469 671 HB2 LEU 82 HB2 LEU 82 48.036 66.674 27.479 672 HB3 LEU 82 HB3 LEU 82 49.504 67.185 28.287 673 HG LEU 82 HG LEU 82 49.921 68.888 26.592 674 HD11 LEU 82 HD11 LEU 82 48.540 67.415 24.675 675 HD12 LEU 82 HD12 LEU 82 47.313 68.561 25.173 676 HD13 LEU 82 HD13 LEU 82 48.905 69.126 24.595 677 HD21 LEU 82 HD21 LEU 82 48.375 69.366 28.478 678 HD22 LEU 82 HD22 LEU 82 47.991 70.330 27.041 679 HD23 LEU 82 HD23 LEU 82 47.000 68.922 27.452 680 H TYR 83 H TYR 83 51.483 65.468 28.348 681 HA TYR 83 HA TYR 83 53.687 67.009 27.556 682 HB2 TYR 83 HB2 TYR 83 53.282 64.681 29.440 683 HB3 TYR 83 HB3 TYR 83 54.821 65.536 29.273 684 HD1 TYR 83 HD1 TYR 83 51.590 67.472 29.383 685 HD2 TYR 83 HD2 TYR 83 54.955 65.855 31.516 686 HE1 TYR 83 HE1 TYR 83 51.126 69.013 31.305 687 HE2 TYR 83 HE2 TYR 83 54.424 67.296 33.479 688 HH TYR 83 HH TYR 83 51.802 69.669 33.380 689 H GLY 84 H GLY 84 53.520 63.313 27.505 690 HA2 GLY 84 HA2 GLY 84 54.990 63.247 25.021 691 HA3 GLY 84 HA3 GLY 84 56.070 63.031 26.400 692 H ARG 85 H ARG 85 54.630 61.466 28.063 693 HA ARG 85 HA ARG 85 54.605 58.778 26.735 694 HB2 ARG 85 HB2 ARG 85 55.159 59.693 29.564 695 HB3 ARG 85 HB3 ARG 85 54.918 58.007 29.145 696 HG2 ARG 85 HG2 ARG 85 57.109 57.898 28.801 697 HG3 ARG 85 HG3 ARG 85 56.697 58.557 27.224 698 HD2 ARG 85 HD2 ARG 85 57.191 60.809 27.968 699 HD3 ARG 85 HD3 ARG 85 57.713 60.230 29.561 700 HE ARG 85 HE ARG 85 59.316 58.688 28.167 701 HH11 ARG 85 HH11 ARG 85 58.543 62.087 27.550 702 HH12 ARG 85 HH12 ARG 85 60.002 62.265 26.581 703 HH21 ARG 85 HH21 ARG 85 61.268 59.189 27.040 704 HH22 ARG 85 HH22 ARG 85 61.365 60.797 26.355 705 HA PRO 86 HA PRO 86 50.205 58.951 27.338 706 HB2 PRO 86 HB2 PRO 86 49.518 56.520 26.299 707 HB3 PRO 86 HB3 PRO 86 50.003 57.910 25.281 708 HG2 PRO 86 HG2 PRO 86 51.808 55.635 26.204 709 HG3 PRO 86 HG3 PRO 86 51.652 56.324 24.543 710 HD2 PRO 86 HD2 PRO 86 53.601 57.044 26.213 711 HD3 PRO 86 HD3 PRO 86 52.791 58.267 25.170 712 H ILE 87 H ILE 87 49.226 58.725 29.250 713 HA ILE 87 HA ILE 87 50.027 57.155 31.426 714 HB ILE 87 HB ILE 87 47.524 58.594 30.623 715 HG12 ILE 87 HG12 ILE 87 49.457 59.720 31.787 716 HG13 ILE 87 HG13 ILE 87 47.876 59.920 32.537 717 HG21 ILE 87 HG21 ILE 87 47.502 56.580 32.890 718 HG22 ILE 87 HG22 ILE 87 46.393 57.971 32.832 719 HG23 ILE 87 HG23 ILE 87 46.357 56.756 31.558 720 HD11 ILE 87 HD11 ILE 87 48.357 58.443 34.313 721 HD12 ILE 87 HD12 ILE 87 49.863 57.856 33.576 722 HD13 ILE 87 HD13 ILE 87 49.754 59.532 34.140 723 H LYS 88 H LYS 88 49.937 55.002 31.819 724 HA LYS 88 HA LYS 88 47.918 53.377 30.383 725 HB2 LYS 88 HB2 LYS 88 50.255 53.057 29.624 726 HB3 LYS 88 HB3 LYS 88 50.729 52.600 31.265 727 HG2 LYS 88 HG2 LYS 88 50.412 50.648 29.754 728 HG3 LYS 88 HG3 LYS 88 49.427 50.608 31.232 729 HD2 LYS 88 HD2 LYS 88 47.442 51.227 29.997 730 HD3 LYS 88 HD3 LYS 88 48.439 51.625 28.573 731 HE2 LYS 88 HE2 LYS 88 48.637 48.802 29.608 732 HE3 LYS 88 HE3 LYS 88 47.086 49.252 28.916 733 HZ1 LYS 88 HZ1 LYS 88 49.695 49.578 27.568 734 HZ2 LYS 88 HZ2 LYS 88 48.619 48.388 27.312 735 HZ3 LYS 88 HZ3 LYS 88 48.212 49.911 26.920 736 H ILE 89 H ILE 89 46.404 52.629 31.658 737 HA ILE 89 HA ILE 89 46.737 52.526 34.636 738 HB ILE 89 HB ILE 89 44.337 51.965 32.895 739 HG12 ILE 89 HG12 ILE 89 43.325 53.898 34.110 740 HG13 ILE 89 HG13 ILE 89 44.928 54.358 34.683 741 HG21 ILE 89 HG21 ILE 89 44.626 52.101 35.950 742 HG22 ILE 89 HG22 ILE 89 43.099 51.890 35.088 743 HG23 ILE 89 HG23 ILE 89 44.331 50.629 35.017 744 HD11 ILE 89 HD11 ILE 89 43.964 55.487 32.539 745 HD12 ILE 89 HD12 ILE 89 45.648 54.877 32.447 746 HD13 ILE 89 HD13 ILE 89 44.301 53.965 31.723 747 H GLN 90 H GLN 90 47.223 50.562 35.595 748 HA GLN 90 HA GLN 90 46.955 48.077 33.947 749 HB2 GLN 90 HB2 GLN 90 49.118 49.036 35.767 750 HB3 GLN 90 HB3 GLN 90 48.960 47.314 35.384 751 HG2 GLN 90 HG2 GLN 90 49.371 47.555 33.143 752 HG3 GLN 90 HG3 GLN 90 48.921 49.239 33.039 753 HE21 GLN 90 HE22 GLN 90 51.196 48.588 31.881 754 HE22 GLN 90 HE21 GLN 90 52.606 49.131 32.774 755 H PHE 91 H PHE 91 46.259 46.111 34.872 756 HA PHE 91 HA PHE 91 45.428 46.037 37.670 757 HB2 PHE 91 HB2 PHE 91 43.617 47.345 36.881 758 HB3 PHE 91 HB3 PHE 91 43.454 46.356 35.438 759 HD1 PHE 91 HD1 PHE 91 42.353 44.310 35.363 760 HD2 PHE 91 HD2 PHE 91 42.462 46.557 39.035 761 HE1 PHE 91 HE1 PHE 91 40.356 43.095 36.150 762 HE2 PHE 91 HE2 PHE 91 40.432 45.342 39.821 763 HZ PHE 91 HZ PHE 91 39.420 43.556 38.394 764 H ARG 92 H ARG 92 44.903 44.048 38.548 765 HA ARG 92 HA ARG 92 44.996 41.484 36.971 766 HB2 ARG 92 HB2 ARG 92 45.525 42.152 39.891 767 HB3 ARG 92 HB3 ARG 92 45.559 40.543 39.221 768 HG2 ARG 92 HG2 ARG 92 47.578 42.801 38.797 769 HG3 ARG 92 HG3 ARG 92 47.806 41.206 39.497 770 HD2 ARG 92 HD2 ARG 92 48.904 41.215 37.453 771 HD3 ARG 92 HD3 ARG 92 47.478 40.157 37.349 772 HE ARG 92 HE ARG 92 46.761 42.745 36.328 773 HH11 ARG 92 HH11 ARG 92 48.808 40.036 35.415 774 HH12 ARG 92 HH12 ARG 92 48.231 40.091 33.758 775 HH21 ARG 92 HH21 ARG 92 46.120 42.713 34.290 776 HH22 ARG 92 HH22 ARG 92 46.830 41.647 33.110 777 H SER 93 H SER 93 43.232 40.256 36.776 778 HA SER 93 HA SER 93 40.700 40.856 38.022 779 HB2 SER 93 HB2 SER 93 39.964 38.695 37.165 780 HB3 SER 93 HB3 SER 93 40.711 39.704 35.896 781 HG SER 93 HG SER 93 42.437 38.396 35.982 782 H GLY 94 H GLY 94 39.532 39.378 39.335 783 HA2 GLY 94 HA2 GLY 94 40.829 37.330 40.978 784 HA3 GLY 94 HA3 GLY 94 40.436 38.799 41.869 785 H SER 95 H SER 95 38.016 38.864 39.721 786 HA SER 95 HA SER 95 36.040 37.508 41.440 787 HB2 SER 95 HB2 SER 95 35.761 39.386 39.089 788 HB3 SER 95 HB3 SER 95 34.443 38.772 40.095 789 HG SER 95 HG SER 95 35.081 40.684 40.841 790 H SER 96 H SER 96 34.607 36.147 40.620 791 HA SER 96 HA SER 96 35.245 34.600 38.142 792 HB2 SER 96 HB2 SER 96 33.950 33.678 40.739 793 HB3 SER 96 HB3 SER 96 34.325 32.694 39.311 794 HG SER 96 HG SER 96 35.932 32.591 40.905 795 H HIS 97 H HIS 97 33.458 33.534 37.143 796 HA HIS 97 HA HIS 97 31.085 35.200 36.805 797 HB2 HIS 97 HB2 HIS 97 32.110 34.185 34.885 798 HB3 HIS 97 HB3 HIS 97 31.941 32.551 35.547 799 HD2 HIS 97 HD2 HIS 97 30.186 31.316 34.126 800 HE1 HIS 97 HE1 HIS 97 27.451 34.472 33.391 801 HE2 HIS 97 HE2 HIS 97 27.886 32.032 33.087 802 H ALA 98 H ALA 98 31.936 32.398 38.591 803 HA ALA 98 HA ALA 98 31.030 31.272 40.266 804 HB1 ALA 98 HB1 ALA 98 29.395 32.208 41.699 805 HB2 ALA 98 HB2 ALA 98 30.414 33.519 41.074 806 HB3 ALA 98 HB3 ALA 98 28.782 33.307 40.457 807 HA PRO 99 HA PRO 99 27.901 28.529 38.518 808 HB2 PRO 99 HB2 PRO 99 28.017 26.487 40.258 809 HB3 PRO 99 HB3 PRO 99 29.511 27.030 39.445 810 HG2 PRO 99 HG2 PRO 99 28.563 27.802 42.219 811 HG3 PRO 99 HG3 PRO 99 30.164 27.161 41.712 812 HD2 PRO 99 HD2 PRO 99 29.543 29.845 41.988 813 HD3 PRO 99 HD3 PRO 99 30.823 29.186 40.910 814 H GLN 100 H GLN 100 25.942 27.118 39.452 815 HA GLN 100 HA GLN 100 24.427 28.421 41.598 816 HB2 GLN 100 HB2 GLN 100 22.445 28.644 40.078 817 HB3 GLN 100 HB3 GLN 100 23.802 29.719 39.687 818 HG2 GLN 100 HG2 GLN 100 24.472 28.390 37.800 819 HG3 GLN 100 HG3 GLN 100 23.315 27.115 38.195 820 HE21 GLN 100 HE22 GLN 100 20.954 27.803 38.187 821 HE22 GLN 100 HE21 GLN 100 20.500 28.792 36.823 822 H ASP 101 H ASP 101 24.652 25.685 39.373 823 HA ASP 101 HA ASP 101 22.893 23.976 41.034 824 HB2 ASP 101 HB2 ASP 101 22.535 24.162 38.614 825 HB3 ASP 101 HB3 ASP 101 24.170 23.607 38.315 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 49.579 27.553 36.498 2 H2 GLY 1 H2 GLY 1 49.948 28.681 35.369 3 H3 GLY 1 H3 GLY 1 49.752 29.117 36.937 4 HA2 GLY 1 HA2 GLY 1 51.634 27.559 37.449 5 HA3 GLY 1 HA3 GLY 1 51.930 27.629 35.695 6 H SER 2 H SER 2 54.086 28.623 36.546 7 HA SER 2 HA SER 2 53.886 31.461 37.416 8 HB2 SER 2 HB2 SER 2 56.350 29.627 37.393 9 HB3 SER 2 HB3 SER 2 56.238 31.323 37.936 10 HG SER 2 HG SER 2 54.879 30.657 39.460 11 H GLU 3 H GLU 3 52.937 31.749 35.165 12 HA GLU 3 HA GLU 3 54.540 31.404 32.878 13 HB2 GLU 3 HB2 GLU 3 52.350 33.475 33.057 14 HB3 GLU 3 HB3 GLU 3 52.953 32.613 31.641 15 HG2 GLU 3 HG2 GLU 3 52.018 30.481 32.557 16 HG3 GLU 3 HG3 GLU 3 51.383 31.387 33.935 17 H PHE 4 H PHE 4 55.663 32.886 31.487 18 HA PHE 4 HA PHE 4 57.269 34.826 32.887 19 HB2 PHE 4 HB2 PHE 4 58.244 33.509 31.181 20 HB3 PHE 4 HB3 PHE 4 57.128 34.010 29.951 21 HD1 PHE 4 HD2 PHE 4 59.784 35.272 32.258 22 HD2 PHE 4 HD1 PHE 4 57.685 36.006 28.554 23 HE1 PHE 4 HE2 PHE 4 61.263 37.191 31.785 24 HE2 PHE 4 HE1 PHE 4 59.217 37.874 28.070 25 HZ PHE 4 HZ PHE 4 60.991 38.494 29.672 26 H GLU 5 H GLU 5 54.416 35.209 30.772 27 HA GLU 5 HA GLU 5 54.811 38.082 30.657 28 HB2 GLU 5 HB2 GLU 5 52.886 38.186 29.254 29 HB3 GLU 5 HB3 GLU 5 54.041 36.953 28.725 30 HG2 GLU 5 HG2 GLU 5 52.625 35.238 29.828 31 HG3 GLU 5 HG3 GLU 5 51.467 36.512 30.237 32 H LEU 6 H LEU 6 54.447 37.250 33.459 33 HA LEU 6 HA LEU 6 51.918 38.639 34.257 34 HB2 LEU 6 HB2 LEU 6 53.413 36.238 35.400 35 HB3 LEU 6 HB3 LEU 6 52.260 37.154 36.357 36 HG LEU 6 HG LEU 6 51.658 35.497 33.891 37 HD11 LEU 6 HD11 LEU 6 50.394 34.113 35.637 38 HD12 LEU 6 HD12 LEU 6 52.167 34.064 35.636 39 HD13 LEU 6 HD13 LEU 6 51.307 34.977 36.874 40 HD21 LEU 6 HD21 LEU 6 50.174 37.456 33.981 41 HD22 LEU 6 HD22 LEU 6 49.266 36.005 34.324 42 HD23 LEU 6 HD23 LEU 6 49.732 37.082 35.661 43 H ARG 7 H ARG 7 51.994 40.108 35.946 44 HA ARG 7 HA ARG 7 54.533 41.115 36.921 45 HB2 ARG 7 HB2 ARG 7 51.668 41.576 37.846 46 HB3 ARG 7 HB3 ARG 7 53.064 42.406 38.506 47 HG2 ARG 7 HG2 ARG 7 52.407 43.985 37.076 48 HG3 ARG 7 HG3 ARG 7 53.536 43.150 36.012 49 HD2 ARG 7 HD2 ARG 7 51.272 41.900 35.232 50 HD3 ARG 7 HD3 ARG 7 50.546 43.268 36.117 51 HE ARG 7 HE ARG 7 52.489 44.169 34.133 52 HH11 ARG 7 HH11 ARG 7 49.042 43.237 34.585 53 HH12 ARG 7 HH12 ARG 7 48.691 43.931 33.005 54 HH21 ARG 7 HH21 ARG 7 51.786 44.692 32.103 55 HH22 ARG 7 HH22 ARG 7 50.070 44.644 31.758 56 H ARG 8 H ARG 8 55.692 39.664 37.764 57 HA ARG 8 HA ARG 8 55.029 38.268 40.337 58 HB2 ARG 8 HB2 ARG 8 56.305 37.054 37.890 59 HB3 ARG 8 HB3 ARG 8 56.286 36.323 39.512 60 HG2 ARG 8 HG2 ARG 8 53.813 36.319 39.494 61 HG3 ARG 8 HG3 ARG 8 53.820 37.006 37.860 62 HD2 ARG 8 HD2 ARG 8 54.814 34.315 38.844 63 HD3 ARG 8 HD3 ARG 8 53.467 34.604 37.745 64 HE ARG 8 HE ARG 8 54.961 34.996 35.924 65 HH11 ARG 8 HH11 ARG 8 56.847 34.367 38.905 66 HH12 ARG 8 HH12 ARG 8 58.240 34.044 37.898 67 HH21 ARG 8 HH21 ARG 8 56.699 34.171 34.914 68 HH22 ARG 8 HH22 ARG 8 58.181 33.912 35.855 69 H GLN 9 H GLN 9 56.974 40.609 39.224 70 HA GLN 9 HA GLN 9 59.576 39.842 40.308 71 HB2 GLN 9 HB2 GLN 9 58.951 41.423 38.353 72 HB3 GLN 9 HB3 GLN 9 58.729 42.636 39.625 73 HG2 GLN 9 HG2 GLN 9 61.224 42.017 40.253 74 HG3 GLN 9 HG3 GLN 9 61.196 41.074 38.758 75 HE21 GLN 9 HE22 GLN 9 60.193 44.473 39.636 76 HE22 GLN 9 HE21 GLN 9 61.117 45.175 38.325 77 H GLN 10 H GLN 10 60.613 40.970 42.038 78 HA GLN 10 HA GLN 10 59.898 40.642 44.531 79 HB2 GLN 10 HB2 GLN 10 61.685 42.284 45.074 80 HB3 GLN 10 HB3 GLN 10 62.092 41.280 43.688 81 HG2 GLN 10 HG2 GLN 10 61.340 43.193 42.170 82 HG3 GLN 10 HG3 GLN 10 61.069 44.161 43.618 83 HE21 GLN 10 HE22 GLN 10 62.996 45.232 44.568 84 HE22 GLN 10 HE21 GLN 10 64.541 44.994 43.727 85 H ALA 11 H ALA 11 58.517 43.496 42.961 86 HA ALA 11 HA ALA 11 57.134 44.227 45.460 87 HB1 ALA 11 HB1 ALA 11 59.050 46.192 44.138 88 HB2 ALA 11 HB2 ALA 11 58.096 46.435 45.616 89 HB3 ALA 11 HB3 ALA 11 59.411 45.259 45.600 90 H LEU 12 H LEU 12 55.580 45.940 45.131 91 HA LEU 12 HA LEU 12 53.822 46.969 44.164 92 HB2 LEU 12 HB2 LEU 12 55.925 47.341 42.011 93 HB3 LEU 12 HB3 LEU 12 54.441 48.285 42.112 94 HG LEU 12 HG LEU 12 56.422 48.103 44.441 95 HD11 LEU 12 HD11 LEU 12 57.235 50.352 43.808 96 HD12 LEU 12 HD12 LEU 12 57.787 49.008 42.823 97 HD13 LEU 12 HD13 LEU 12 56.534 50.110 42.190 98 HD21 LEU 12 HD21 LEU 12 55.291 50.172 45.168 99 HD22 LEU 12 HD22 LEU 12 54.173 50.050 43.773 100 HD23 LEU 12 HD23 LEU 12 54.170 48.826 45.057 101 H ALA 13 H ALA 13 54.481 44.142 43.122 102 HA ALA 13 HA ALA 13 53.350 43.925 40.496 103 HB1 ALA 13 HB1 ALA 13 54.126 41.881 42.629 104 HB2 ALA 13 HB2 ALA 13 53.806 41.489 40.928 105 HB3 ALA 13 HB3 ALA 13 55.209 42.496 41.368 106 H GLU 14 H GLU 14 51.717 44.234 43.338 107 HA GLU 14 HA GLU 14 49.906 41.898 43.041 108 HB2 GLU 14 HB2 GLU 14 51.236 43.386 45.270 109 HB3 GLU 14 HB3 GLU 14 49.889 42.264 45.599 110 HG2 GLU 14 HG2 GLU 14 51.226 40.546 44.198 111 HG3 GLU 14 HG3 GLU 14 52.594 41.644 44.347 112 H ALA 15 H ALA 15 47.965 41.975 44.308 113 HA ALA 15 HA ALA 15 46.070 43.814 43.251 114 HB1 ALA 15 HB1 ALA 15 45.908 41.680 45.414 115 HB2 ALA 15 HB2 ALA 15 44.512 42.433 44.604 116 HB3 ALA 15 HB3 ALA 15 45.646 41.413 43.686 117 H ASP 16 H ASP 16 44.618 45.248 44.500 118 HA ASP 16 HA ASP 16 45.313 46.143 47.181 119 HB2 ASP 16 HB2 ASP 16 47.014 47.230 45.374 120 HB3 ASP 16 HB3 ASP 16 45.636 48.266 45.071 121 H ARG 17 H ARG 17 43.814 48.009 47.913 122 HA ARG 17 HA ARG 17 41.297 48.361 46.450 123 HB2 ARG 17 HB2 ARG 17 42.543 49.691 48.908 124 HB3 ARG 17 HB3 ARG 17 41.083 50.333 48.166 125 HG2 ARG 17 HG2 ARG 17 39.895 48.244 48.526 126 HG3 ARG 17 HG3 ARG 17 41.349 47.517 49.233 127 HD2 ARG 17 HD2 ARG 17 41.286 49.106 51.101 128 HD3 ARG 17 HD3 ARG 17 39.883 49.937 50.412 129 HE ARG 17 HE ARG 17 39.609 47.031 50.892 130 HH11 ARG 17 HH11 ARG 17 38.809 50.264 52.044 131 HH12 ARG 17 HH12 ARG 17 37.791 49.605 53.326 132 HH21 ARG 17 HH21 ARG 17 38.033 46.363 52.280 133 HH22 ARG 17 HH22 ARG 17 37.330 47.484 53.415 134 H THR 18 H THR 18 44.398 49.736 46.059 135 HA THR 18 HA THR 18 43.376 52.198 44.773 136 HB THR 18 HB THR 18 46.212 51.461 45.577 137 HG1 THR 18 HG1 THR 18 44.912 51.354 47.321 138 HG21 THR 18 HG21 THR 18 44.919 54.218 45.542 139 HG22 THR 18 HG22 THR 18 46.606 53.803 45.818 140 HG23 THR 18 HG23 THR 18 45.906 53.601 44.185 141 H LEU 19 H LEU 19 43.796 52.721 42.644 142 HA LEU 19 HA LEU 19 44.027 50.588 40.698 143 HB2 LEU 19 HB2 LEU 19 42.456 52.576 40.506 144 HB3 LEU 19 HB3 LEU 19 43.856 53.633 40.552 145 HG LEU 19 HG LEU 19 44.656 52.784 38.390 146 HD11 LEU 19 HD11 LEU 19 42.483 50.747 38.853 147 HD12 LEU 19 HD12 LEU 19 42.969 51.163 37.188 148 HD13 LEU 19 HD13 LEU 19 44.166 50.523 38.308 149 HD21 LEU 19 HD21 LEU 19 43.004 54.575 38.174 150 HD22 LEU 19 HD22 LEU 19 42.783 53.373 36.903 151 HD23 LEU 19 HD23 LEU 19 41.678 53.392 38.302 152 H PHE 20 H PHE 20 45.962 50.089 39.474 153 HA PHE 20 HA PHE 20 48.322 51.733 40.082 154 HB2 PHE 20 HB2 PHE 20 48.456 49.305 40.172 155 HB3 PHE 20 HB3 PHE 20 48.217 49.151 38.449 156 HD1 PHE 20 HD1 PHE 20 50.279 50.664 37.045 157 HD2 PHE 20 HD2 PHE 20 50.438 49.034 41.042 158 HE1 PHE 20 HE1 PHE 20 52.734 50.992 37.118 159 HE2 PHE 20 HE2 PHE 20 52.866 49.342 41.083 160 HZ PHE 20 HZ PHE 20 54.044 50.285 39.086 161 H VAL 21 H VAL 21 49.331 53.118 38.740 162 HA VAL 21 HA VAL 21 48.486 53.252 35.895 163 HB VAL 21 HB VAL 21 49.008 55.777 37.538 164 HG11 VAL 21 HG11 VAL 21 47.644 55.225 34.883 165 HG12 VAL 21 HG12 VAL 21 48.012 56.831 35.588 166 HG13 VAL 21 HG13 VAL 21 49.321 55.788 35.020 167 HG21 VAL 21 HG21 VAL 21 46.960 54.754 38.444 168 HG22 VAL 21 HG22 VAL 21 46.522 56.121 37.416 169 HG23 VAL 21 HG23 VAL 21 46.359 54.456 36.804 170 H GLY 22 H GLY 22 50.211 52.724 34.741 171 HA2 GLY 22 HA2 GLY 22 52.939 53.651 35.572 172 HA3 GLY 22 HA3 GLY 22 52.675 52.132 34.780 173 H ASN 23 H ASN 23 54.333 53.576 33.459 174 HA ASN 23 HA ASN 23 54.899 54.453 31.481 175 HB2 ASN 23 HB2 ASN 23 52.873 52.921 30.761 176 HB3 ASN 23 HB3 ASN 23 52.083 54.475 30.440 177 HD21 ASN 23 HD21 ASN 23 52.071 54.595 28.222 178 HD22 ASN 23 HD22 ASN 23 53.441 54.276 27.171 179 H LEU 24 H LEU 24 54.465 56.013 33.604 180 HA LEU 24 HA LEU 24 53.034 58.496 33.077 181 HB2 LEU 24 HB2 LEU 24 55.144 57.577 35.048 182 HB3 LEU 24 HB3 LEU 24 54.565 59.220 34.972 183 HG LEU 24 HG LEU 24 53.677 57.485 36.730 184 HD11 LEU 24 HD11 LEU 24 51.761 59.310 35.311 185 HD12 LEU 24 HD12 LEU 24 51.401 58.422 36.817 186 HD13 LEU 24 HD13 LEU 24 52.711 59.574 36.828 187 HD21 LEU 24 HD21 LEU 24 53.024 55.748 35.090 188 HD22 LEU 24 HD22 LEU 24 51.701 56.241 36.188 189 HD23 LEU 24 HD23 LEU 24 51.710 56.767 34.496 190 H GLU 25 H GLU 25 53.935 60.492 32.553 191 HA GLU 25 HA GLU 25 56.398 60.448 31.078 192 HB2 GLU 25 HB2 GLU 25 54.174 62.121 31.354 193 HB3 GLU 25 HB3 GLU 25 55.462 63.097 32.037 194 HG2 GLU 25 HG2 GLU 25 55.876 61.718 29.375 195 HG3 GLU 25 HG3 GLU 25 55.023 63.240 29.440 196 H THR 26 H THR 26 58.047 62.079 31.500 197 HA THR 26 HA THR 26 59.446 61.362 33.944 198 HB THR 26 HB THR 26 61.363 62.310 32.826 199 HG1 THR 26 HG1 THR 26 59.569 63.296 30.914 200 HG21 THR 26 HG21 THR 26 59.720 61.092 30.522 201 HG22 THR 26 HG22 THR 26 61.435 60.860 30.865 202 HG23 THR 26 HG23 THR 26 60.189 60.104 31.885 203 H LYS 27 H LYS 27 57.540 63.925 32.977 204 HA LYS 27 HA LYS 27 58.261 65.606 35.334 205 HB2 LYS 27 HB2 LYS 27 57.234 66.425 32.576 206 HB3 LYS 27 HB3 LYS 27 57.371 67.518 33.945 207 HG2 LYS 27 HG2 LYS 27 59.690 66.012 32.625 208 HG3 LYS 27 HG3 LYS 27 59.297 67.697 32.371 209 HD2 LYS 27 HD2 LYS 27 60.182 66.436 35.005 210 HD3 LYS 27 HD3 LYS 27 61.193 67.343 33.875 211 HE2 LYS 27 HE2 LYS 27 59.556 69.308 34.229 212 HE3 LYS 27 HE3 LYS 27 58.943 68.413 35.617 213 HZ1 LYS 27 HZ1 LYS 27 61.813 68.970 35.236 214 HZ2 LYS 27 HZ2 LYS 27 60.810 70.039 35.970 215 HZ3 LYS 27 HZ3 LYS 27 61.098 68.559 36.595 216 H VAL 28 H VAL 28 56.297 63.277 35.130 217 HA VAL 28 HA VAL 28 53.674 64.438 35.242 218 HB VAL 28 HB VAL 28 54.246 62.127 34.532 219 HG11 VAL 28 HG11 VAL 28 55.920 61.492 36.168 220 HG12 VAL 28 HG12 VAL 28 54.837 61.810 37.526 221 HG13 VAL 28 HG13 VAL 28 54.567 60.408 36.540 222 HG21 VAL 28 HG21 VAL 28 51.940 62.981 35.516 223 HG22 VAL 28 HG22 VAL 28 52.219 61.306 35.082 224 HG23 VAL 28 HG23 VAL 28 52.336 61.828 36.803 225 H THR 29 H THR 29 52.157 64.200 37.106 226 HA THR 29 HA THR 29 53.265 64.476 39.802 227 HB THR 29 HB THR 29 52.117 66.763 40.045 228 HG1 THR 29 HG1 THR 29 52.572 67.501 37.543 229 HG21 THR 29 HG21 THR 29 54.565 66.996 38.305 230 HG22 THR 29 HG22 THR 29 54.141 67.778 39.872 231 HG23 THR 29 HG23 THR 29 54.656 66.102 39.817 232 H GLU 30 H GLU 30 51.566 65.053 41.367 233 HA GLU 30 HA GLU 30 49.436 63.198 41.086 234 HB2 GLU 30 HB2 GLU 30 49.911 65.428 43.122 235 HB3 GLU 30 HB3 GLU 30 48.752 64.093 43.313 236 HG2 GLU 30 HG2 GLU 30 50.785 62.535 43.120 237 HG3 GLU 30 HG3 GLU 30 51.769 63.943 43.437 238 H GLU 31 H GLU 31 49.769 66.669 40.536 239 HA GLU 31 HA GLU 31 47.036 67.435 40.107 240 HB2 GLU 31 HB2 GLU 31 49.739 68.446 39.093 241 HB3 GLU 31 HB3 GLU 31 48.238 69.217 38.614 242 HG2 GLU 31 HG2 GLU 31 47.617 69.574 40.955 243 HG3 GLU 31 HG3 GLU 31 49.101 68.811 41.490 244 H LEU 32 H LEU 32 49.567 66.281 37.863 245 HA LEU 32 HA LEU 32 47.968 66.683 35.526 246 HB2 LEU 32 HB2 LEU 32 50.490 66.542 35.457 247 HB3 LEU 32 HB3 LEU 32 50.385 64.831 35.861 248 HG LEU 32 HG LEU 32 49.252 64.305 33.794 249 HD11 LEU 32 HD11 LEU 32 49.597 67.238 32.998 250 HD12 LEU 32 HD12 LEU 32 48.934 65.946 31.984 251 HD13 LEU 32 HD13 LEU 32 48.018 66.525 33.378 252 HD21 LEU 32 HD21 LEU 32 51.783 64.573 33.976 253 HD22 LEU 32 HD22 LEU 32 51.109 64.697 32.331 254 HD23 LEU 32 HD23 LEU 32 51.551 66.172 33.246 255 H LEU 33 H LEU 33 48.526 63.903 37.599 256 HA LEU 33 HA LEU 33 46.918 61.953 36.203 257 HB2 LEU 33 HB2 LEU 33 47.802 62.408 39.047 258 HB3 LEU 33 HB3 LEU 33 46.923 60.953 38.587 259 HG LEU 33 HG LEU 33 49.667 61.863 37.589 260 HD11 LEU 33 HD11 LEU 33 48.984 59.627 39.527 261 HD12 LEU 33 HD12 LEU 33 50.609 60.009 38.931 262 HD13 LEU 33 HD13 LEU 33 49.755 61.197 39.907 263 HD21 LEU 33 HD21 LEU 33 48.157 60.128 36.102 264 HD22 LEU 33 HD22 LEU 33 49.904 60.327 36.121 265 HD23 LEU 33 HD23 LEU 33 49.177 59.041 37.090 266 H PHE 34 H PHE 34 46.156 64.076 39.006 267 HA PHE 34 HA PHE 34 43.449 63.501 39.401 268 HB2 PHE 34 HB2 PHE 34 45.062 64.882 40.815 269 HB3 PHE 34 HB3 PHE 34 44.693 66.246 39.766 270 HD1 PHE 34 HD2 PHE 34 43.394 63.829 42.308 271 HD2 PHE 34 HD1 PHE 34 42.698 67.510 40.149 272 HE1 PHE 34 HE2 PHE 34 41.533 64.343 43.797 273 HE2 PHE 34 HE1 PHE 34 40.813 68.026 41.682 274 HZ PHE 34 HZ PHE 34 40.224 66.436 43.505 275 H GLU 35 H GLU 35 44.716 65.993 37.093 276 HA GLU 35 HA GLU 35 42.049 66.618 36.135 277 HB2 GLU 35 HB2 GLU 35 43.023 68.065 34.627 278 HB3 GLU 35 HB3 GLU 35 43.941 68.190 36.150 279 HG2 GLU 35 HG2 GLU 35 45.847 67.267 35.260 280 HG3 GLU 35 HG3 GLU 35 45.047 66.623 33.816 281 H LEU 36 H LEU 36 44.411 64.232 35.144 282 HA LEU 36 HA LEU 36 43.062 63.631 32.644 283 HB2 LEU 36 HB2 LEU 36 45.379 63.284 32.763 284 HB3 LEU 36 HB3 LEU 36 45.281 62.301 34.224 285 HG LEU 36 HG LEU 36 43.749 61.294 31.841 286 HD11 LEU 36 HD11 LEU 36 46.764 61.310 32.125 287 HD12 LEU 36 HD12 LEU 36 45.853 60.168 31.081 288 HD13 LEU 36 HD13 LEU 36 45.801 61.925 30.760 289 HD21 LEU 36 HD21 LEU 36 43.939 60.004 34.056 290 HD22 LEU 36 HD22 LEU 36 44.691 59.134 32.697 291 HD23 LEU 36 HD23 LEU 36 45.693 60.044 33.850 292 H PHE 37 H PHE 37 42.958 62.221 35.945 293 HA PHE 37 HA PHE 37 40.943 60.247 35.149 294 HB2 PHE 37 HB2 PHE 37 42.126 60.918 37.851 295 HB3 PHE 37 HB3 PHE 37 40.970 59.604 37.529 296 HD1 PHE 37 HD2 PHE 37 41.687 58.053 35.458 297 HD2 PHE 37 HD1 PHE 37 44.359 60.284 37.994 298 HE1 PHE 37 HE2 PHE 37 43.603 56.663 34.677 299 HE2 PHE 37 HE1 PHE 37 46.272 58.965 37.148 300 HZ PHE 37 HZ PHE 37 45.896 57.200 35.413 301 H HIS 38 H HIS 38 40.433 63.311 35.122 302 HA HIS 38 HA HIS 38 38.444 63.914 37.087 303 HB2 HIS 38 HB2 HIS 38 39.717 65.599 36.026 304 HB3 HIS 38 HB3 HIS 38 39.162 65.164 34.412 305 HD2 HIS 38 HD2 HIS 38 38.761 67.843 36.598 306 HE1 HIS 38 HE1 HIS 38 34.808 67.431 35.058 307 HE2 HIS 38 HE2 HIS 38 36.394 68.981 36.311 308 H GLN 39 H GLN 39 37.970 62.772 33.711 309 HA GLN 39 HA GLN 39 35.117 62.236 34.258 310 HB2 GLN 39 HB2 GLN 39 36.695 61.826 31.691 311 HB3 GLN 39 HB3 GLN 39 34.997 61.512 31.909 312 HG2 GLN 39 HG2 GLN 39 36.290 64.236 31.978 313 HG3 GLN 39 HG3 GLN 39 35.303 63.507 30.696 314 HE21 GLN 39 HE22 GLN 39 35.145 64.995 33.929 315 HE22 GLN 39 HE21 GLN 39 33.393 65.098 33.957 316 H ALA 40 H ALA 40 37.914 60.663 35.138 317 HA ALA 40 HA ALA 40 36.889 58.021 34.317 318 HB1 ALA 40 HB1 ALA 40 39.411 58.486 35.901 319 HB2 ALA 40 HB2 ALA 40 38.815 57.021 35.083 320 HB3 ALA 40 HB3 ALA 40 39.256 58.437 34.115 321 H GLY 41 H GLY 41 35.976 60.159 36.504 322 HA2 GLY 41 HA2 GLY 41 34.064 59.634 37.913 323 HA3 GLY 41 HA3 GLY 41 34.884 58.186 38.464 324 HA PRO 42 HA PRO 42 35.669 61.758 41.247 325 HB2 PRO 42 HB2 PRO 42 34.648 60.865 43.629 326 HB3 PRO 42 HB3 PRO 42 33.637 61.553 42.335 327 HG2 PRO 42 HG2 PRO 42 34.094 58.636 42.968 328 HG3 PRO 42 HG3 PRO 42 32.574 59.449 42.470 329 HD2 PRO 42 HD2 PRO 42 34.180 58.047 40.723 330 HD3 PRO 42 HD3 PRO 42 33.147 59.440 40.234 331 H VAL 43 H VAL 43 37.886 61.539 41.160 332 HA VAL 43 HA VAL 43 39.411 59.472 42.445 333 HB VAL 43 HB VAL 43 40.167 62.271 41.550 334 HG11 VAL 43 HG11 VAL 43 41.961 59.869 42.084 335 HG12 VAL 43 HG12 VAL 43 42.445 61.503 41.544 336 HG13 VAL 43 HG13 VAL 43 41.813 61.259 43.186 337 HG21 VAL 43 HG21 VAL 43 39.411 60.938 39.680 338 HG22 VAL 43 HG22 VAL 43 41.189 61.098 39.662 339 HG23 VAL 43 HG23 VAL 43 40.438 59.566 40.205 340 H ILE 44 H ILE 44 39.719 59.127 44.470 341 HA ILE 44 HA ILE 44 38.832 61.041 46.524 342 HB ILE 44 HB ILE 44 39.902 58.202 46.676 343 HG12 ILE 44 HG12 ILE 44 37.859 58.251 45.385 344 HG13 ILE 44 HG13 ILE 44 37.576 57.464 46.906 345 HG21 ILE 44 HG21 ILE 44 38.480 59.734 48.909 346 HG22 ILE 44 HG22 ILE 44 39.061 58.063 48.918 347 HG23 ILE 44 HG23 ILE 44 40.216 59.393 48.823 348 HD11 ILE 44 HD11 ILE 44 36.862 60.368 46.251 349 HD12 ILE 44 HD12 ILE 44 35.712 59.033 46.232 350 HD13 ILE 44 HD13 ILE 44 36.460 59.526 47.769 351 H LYS 45 H LYS 45 41.859 59.513 45.497 352 HA LYS 45 HA LYS 45 43.384 61.861 46.156 353 HB2 LYS 45 HB2 LYS 45 44.787 61.002 47.930 354 HB3 LYS 45 HB3 LYS 45 43.140 60.770 48.369 355 HG2 LYS 45 HG2 LYS 45 44.028 58.374 46.935 356 HG3 LYS 45 HG3 LYS 45 45.279 58.823 48.061 357 HD2 LYS 45 HD2 LYS 45 42.490 57.842 48.562 358 HD3 LYS 45 HD3 LYS 45 44.013 57.374 49.317 359 HE2 LYS 45 HE2 LYS 45 43.915 59.820 50.350 360 HE3 LYS 45 HE3 LYS 45 42.211 59.727 49.865 361 HZ1 LYS 45 HZ1 LYS 45 43.476 57.655 51.514 362 HZ2 LYS 45 HZ2 LYS 45 42.673 58.941 52.169 363 HZ3 LYS 45 HZ3 LYS 45 41.913 57.868 51.216 364 H VAL 46 H VAL 46 45.516 61.768 45.259 365 HA VAL 46 HA VAL 46 46.079 59.498 43.394 366 HB VAL 46 HB VAL 46 46.718 62.448 43.124 367 HG11 VAL 46 HG11 VAL 46 48.767 61.409 42.498 368 HG12 VAL 46 HG12 VAL 46 47.945 60.092 41.650 369 HG13 VAL 46 HG13 VAL 46 47.902 61.747 40.993 370 HG21 VAL 46 HG21 VAL 46 44.539 61.787 42.127 371 HG22 VAL 46 HG22 VAL 46 45.693 62.079 40.826 372 HG23 VAL 46 HG23 VAL 46 45.332 60.417 41.296 373 H LYS 47 H LYS 47 48.260 58.787 43.386 374 HA LYS 47 HA LYS 47 50.106 59.986 45.367 375 HB2 LYS 47 HB2 LYS 47 49.448 57.914 46.385 376 HB3 LYS 47 HB3 LYS 47 49.342 57.097 44.833 377 HG2 LYS 47 HG2 LYS 47 51.225 56.190 46.010 378 HG3 LYS 47 HG3 LYS 47 51.845 57.107 44.651 379 HD2 LYS 47 HD2 LYS 47 52.253 59.044 46.293 380 HD3 LYS 47 HD3 LYS 47 51.739 57.922 47.574 381 HE2 LYS 47 HE2 LYS 47 53.443 56.275 46.746 382 HE3 LYS 47 HE3 LYS 47 54.078 57.503 45.652 383 HZ1 LYS 47 HZ1 LYS 47 54.493 58.866 47.694 384 HZ2 LYS 47 HZ2 LYS 47 53.978 57.616 48.608 385 HZ3 LYS 47 HZ3 LYS 47 55.334 57.513 47.696 386 H ILE 48 H ILE 48 51.816 60.768 44.570 387 HA ILE 48 HA ILE 48 53.026 59.445 42.217 388 HB ILE 48 HB ILE 48 53.068 62.258 43.139 389 HG12 ILE 48 HG12 ILE 48 51.698 61.078 41.209 390 HG13 ILE 48 HG13 ILE 48 52.414 62.674 40.950 391 HG21 ILE 48 HG21 ILE 48 55.419 61.110 41.654 392 HG22 ILE 48 HG22 ILE 48 54.964 62.825 41.721 393 HG23 ILE 48 HG23 ILE 48 55.381 61.972 43.216 394 HD11 ILE 48 HD11 ILE 48 54.145 61.758 39.575 395 HD12 ILE 48 HD12 ILE 48 53.718 60.082 40.031 396 HD13 ILE 48 HD13 ILE 48 52.618 61.048 39.032 397 HA PRO 49 HA PRO 49 56.198 57.989 45.121 398 HB2 PRO 49 HB2 PRO 49 57.509 56.420 43.264 399 HB3 PRO 49 HB3 PRO 49 56.012 55.923 44.116 400 HG2 PRO 49 HG2 PRO 49 56.334 57.107 41.334 401 HG3 PRO 49 HG3 PRO 49 55.329 55.704 41.832 402 HD2 PRO 49 HD2 PRO 49 54.429 58.274 41.471 403 HD3 PRO 49 HD3 PRO 49 53.650 57.157 42.632 404 H LYS 50 H LYS 50 58.587 58.142 44.942 405 HA LYS 50 HA LYS 50 59.930 59.650 42.968 406 HB2 LYS 50 HB2 LYS 50 59.250 61.109 45.550 407 HB3 LYS 50 HB3 LYS 50 60.775 61.403 44.704 408 HG2 LYS 50 HG2 LYS 50 59.175 61.611 42.578 409 HG3 LYS 50 HG3 LYS 50 57.968 61.948 43.797 410 HD2 LYS 50 HD2 LYS 50 59.336 63.835 44.672 411 HD3 LYS 50 HD3 LYS 50 60.512 63.601 43.354 412 HE2 LYS 50 HE2 LYS 50 58.594 63.611 41.723 413 HE3 LYS 50 HE3 LYS 50 57.515 63.959 43.071 414 HZ1 LYS 50 HZ1 LYS 50 59.643 65.756 42.073 415 HZ2 LYS 50 HZ2 LYS 50 58.042 65.950 41.922 416 HZ3 LYS 50 HZ3 LYS 50 58.699 66.043 43.396 417 H ASP 51 H ASP 51 61.569 58.485 42.865 418 HA ASP 51 HA ASP 51 62.886 57.012 44.968 419 HB2 ASP 51 HB2 ASP 51 63.034 57.205 42.168 420 HB3 ASP 51 HB3 ASP 51 64.546 57.928 42.662 421 H LYS 52 H LYS 52 65.289 57.476 45.430 422 HA LYS 52 HA LYS 52 65.342 59.775 47.101 423 HB2 LYS 52 HB2 LYS 52 67.804 59.378 47.318 424 HB3 LYS 52 HB3 LYS 52 66.866 57.939 47.584 425 HG2 LYS 52 HG2 LYS 52 68.301 56.945 46.161 426 HG3 LYS 52 HG3 LYS 52 67.405 57.726 44.856 427 HD2 LYS 52 HD2 LYS 52 68.961 59.634 44.877 428 HD3 LYS 52 HD3 LYS 52 69.818 58.931 46.267 429 HE2 LYS 52 HE2 LYS 52 70.282 56.884 44.914 430 HE3 LYS 52 HE3 LYS 52 69.500 57.618 43.530 431 HZ1 LYS 52 HZ1 LYS 52 71.869 58.913 44.798 432 HZ2 LYS 52 HZ2 LYS 52 71.972 57.761 43.688 433 HZ3 LYS 52 HZ3 LYS 52 71.259 59.125 43.289 434 H ASP 53 H ASP 53 66.190 59.318 43.849 435 HA ASP 53 HA ASP 53 67.495 61.896 43.384 436 HB2 ASP 53 HB2 ASP 53 68.118 59.723 42.223 437 HB3 ASP 53 HB3 ASP 53 66.596 59.748 41.392 438 H GLY 54 H GLY 54 64.328 61.104 43.834 439 HA2 GLY 54 HA2 GLY 54 62.594 62.527 43.991 440 HA3 GLY 54 HA3 GLY 54 63.479 63.768 43.125 441 H LYS 55 H LYS 55 62.595 60.430 42.067 442 HA LYS 55 HA LYS 55 60.852 61.604 39.961 443 HB2 LYS 55 HB2 LYS 55 63.180 61.166 39.209 444 HB3 LYS 55 HB3 LYS 55 62.963 59.445 39.569 445 HG2 LYS 55 HG2 LYS 55 62.568 59.575 37.193 446 HG3 LYS 55 HG3 LYS 55 60.968 59.545 37.847 447 HD2 LYS 55 HD2 LYS 55 60.873 61.422 36.395 448 HD3 LYS 55 HD3 LYS 55 61.164 62.171 37.952 449 HE2 LYS 55 HE2 LYS 55 63.678 62.108 37.415 450 HE3 LYS 55 HE3 LYS 55 63.205 61.662 35.769 451 HZ1 LYS 55 HZ1 LYS 55 63.142 64.172 37.058 452 HZ2 LYS 55 HZ2 LYS 55 62.810 63.843 35.464 453 HZ3 LYS 55 HZ3 LYS 55 61.657 63.817 36.595 454 HA PRO 56 HA PRO 56 58.018 58.470 41.125 455 HB2 PRO 56 HB2 PRO 56 56.207 58.650 38.977 456 HB3 PRO 56 HB3 PRO 56 56.274 59.838 40.316 457 HG2 PRO 56 HG2 PRO 56 57.567 59.845 37.594 458 HG3 PRO 56 HG3 PRO 56 56.741 61.230 38.402 459 HD2 PRO 56 HD2 PRO 56 59.413 61.079 38.352 460 HD3 PRO 56 HD3 PRO 56 58.572 61.617 39.833 461 H LYS 57 H LYS 57 60.253 57.710 39.089 462 HA LYS 57 HA LYS 57 60.897 55.750 38.039 463 HB2 LYS 57 HB2 LYS 57 58.753 54.499 39.755 464 HB3 LYS 57 HB3 LYS 57 60.112 53.683 38.994 465 HG2 LYS 57 HG2 LYS 57 60.824 53.714 41.134 466 HG3 LYS 57 HG3 LYS 57 61.547 55.250 40.665 467 HD2 LYS 57 HD2 LYS 57 59.440 56.383 41.591 468 HD3 LYS 57 HD3 LYS 57 58.926 54.785 42.178 469 HE2 LYS 57 HE2 LYS 57 61.582 56.002 42.927 470 HE3 LYS 57 HE3 LYS 57 60.076 56.438 43.746 471 HZ1 LYS 57 HZ1 LYS 57 61.133 53.699 43.552 472 HZ2 LYS 57 HZ2 LYS 57 61.305 54.632 44.817 473 HZ3 LYS 57 HZ3 LYS 57 59.803 54.135 44.416 474 H GLN 58 H GLN 58 58.695 57.292 36.658 475 HA GLN 58 HA GLN 58 57.120 57.176 35.146 476 HB2 GLN 58 HB2 GLN 58 58.880 54.875 34.332 477 HB3 GLN 58 HB3 GLN 58 57.412 55.298 33.422 478 HG2 GLN 58 HG2 GLN 58 58.326 57.709 33.435 479 HG3 GLN 58 HG3 GLN 58 59.856 57.051 34.018 480 HE21 GLN 58 HE21 GLN 58 57.858 57.647 31.288 481 HE22 GLN 58 HE22 GLN 58 58.979 56.952 30.115 482 H PHE 59 H PHE 59 56.125 56.317 37.556 483 HA PHE 59 HA PHE 59 53.713 54.888 36.809 484 HB2 PHE 59 HB2 PHE 59 53.853 52.967 37.911 485 HB3 PHE 59 HB3 PHE 59 55.500 53.186 37.392 486 HD1 PHE 59 HD1 PHE 59 53.205 53.221 40.397 487 HD2 PHE 59 HD2 PHE 59 57.268 53.165 38.972 488 HE1 PHE 59 HE1 PHE 59 54.008 52.909 42.708 489 HE2 PHE 59 HE2 PHE 59 58.066 52.811 41.309 490 HZ PHE 59 HZ PHE 59 56.439 52.765 43.181 491 H ALA 60 H ALA 60 52.229 54.670 38.754 492 HA ALA 60 HA ALA 60 52.391 56.429 41.032 493 HB1 ALA 60 HB1 ALA 60 50.395 57.814 40.267 494 HB2 ALA 60 HB2 ALA 60 51.951 58.187 39.550 495 HB3 ALA 60 HB3 ALA 60 50.741 57.235 38.622 496 H PHE 61 H PHE 61 50.158 56.566 42.072 497 HA PHE 61 HA PHE 61 48.247 54.322 41.516 498 HB2 PHE 61 HB2 PHE 61 49.603 54.991 44.123 499 HB3 PHE 61 HB3 PHE 61 47.938 54.478 44.138 500 HD1 PHE 61 HD1 PHE 61 47.319 52.182 43.154 501 HD2 PHE 61 HD2 PHE 61 51.413 53.429 43.733 502 HE1 PHE 61 HE1 PHE 61 48.059 49.846 42.941 503 HE2 PHE 61 HE2 PHE 61 52.132 51.061 43.664 504 HZ PHE 61 HZ PHE 61 50.462 49.263 43.235 505 H VAL 62 H VAL 62 46.045 54.701 42.111 506 HA VAL 62 HA VAL 62 45.163 57.467 42.721 507 HB VAL 62 HB VAL 62 43.987 55.950 40.319 508 HG11 VAL 62 HG11 VAL 62 43.842 58.797 41.374 509 HG12 VAL 62 HG12 VAL 62 43.215 58.334 39.788 510 HG13 VAL 62 HG13 VAL 62 42.501 57.618 41.238 511 HG21 VAL 62 HG21 VAL 62 46.358 56.544 39.790 512 HG22 VAL 62 HG22 VAL 62 45.114 57.330 38.812 513 HG23 VAL 62 HG23 VAL 62 45.937 58.244 40.125 514 H ASN 63 H ASN 63 43.262 57.493 43.891 515 HA ASN 63 HA ASN 63 42.255 54.775 44.638 516 HB2 ASN 63 HB2 ASN 63 43.205 56.194 46.487 517 HB3 ASN 63 HB3 ASN 63 41.854 57.298 46.264 518 HD21 ASN 63 HD22 ASN 63 42.692 54.057 47.509 519 HD22 ASN 63 HD21 ASN 63 41.024 53.699 47.985 520 H PHE 64 H PHE 64 40.338 54.106 44.169 521 HA PHE 64 HA PHE 64 38.123 56.015 44.137 522 HB2 PHE 64 HB2 PHE 64 38.351 53.591 42.313 523 HB3 PHE 64 HB3 PHE 64 36.919 54.589 42.476 524 HD1 PHE 64 HD2 PHE 64 36.916 56.977 41.623 525 HD2 PHE 64 HD1 PHE 64 40.218 54.286 41.016 526 HE1 PHE 64 HE2 PHE 64 37.749 58.404 39.740 527 HE2 PHE 64 HE1 PHE 64 40.958 55.647 39.048 528 HZ PHE 64 HZ PHE 64 39.628 57.638 38.364 529 H LYS 65 H LYS 65 36.134 55.050 45.042 530 HA LYS 65 HA LYS 65 36.747 52.987 47.097 531 HB2 LYS 65 HB2 LYS 65 36.119 55.193 47.851 532 HB3 LYS 65 HB3 LYS 65 34.644 55.158 46.870 533 HG2 LYS 65 HG2 LYS 65 33.919 53.165 48.298 534 HG3 LYS 65 HG3 LYS 65 35.312 53.597 49.367 535 HD2 LYS 65 HD2 LYS 65 34.353 55.787 49.717 536 HD3 LYS 65 HD3 LYS 65 33.008 55.393 48.614 537 HE2 LYS 65 HE2 LYS 65 32.150 53.707 50.075 538 HE3 LYS 65 HE3 LYS 65 33.580 53.731 51.107 539 HZ1 LYS 65 HZ1 LYS 65 31.632 55.919 50.809 540 HZ2 LYS 65 HZ2 LYS 65 31.851 54.986 52.104 541 HZ3 LYS 65 HZ3 LYS 65 33.010 56.040 51.669 542 H HIS 66 H HIS 66 35.077 51.511 47.735 543 HA HIS 66 HA HIS 66 34.195 49.473 47.128 544 HB2 HIS 66 HB2 HIS 66 32.636 51.060 48.109 545 HB3 HIS 66 HB3 HIS 66 32.105 51.593 46.502 546 HD2 HIS 66 HD2 HIS 66 32.515 48.045 48.043 547 HE1 HIS 66 HE1 HIS 66 28.403 48.480 47.075 548 HE2 HIS 66 HE2 HIS 66 30.147 46.911 47.984 549 H GLU 67 H GLU 67 35.780 49.380 45.401 550 HA GLU 67 HA GLU 67 34.813 49.582 42.634 551 HB2 GLU 67 HB2 GLU 67 37.552 49.136 43.841 552 HB3 GLU 67 HB3 GLU 67 37.228 49.024 42.116 553 HG2 GLU 67 HG2 GLU 67 36.606 51.475 43.809 554 HG3 GLU 67 HG3 GLU 67 38.085 51.254 42.884 555 H VAL 68 H VAL 68 34.763 48.021 41.262 556 HA VAL 68 HA VAL 68 34.966 45.169 42.091 557 HB VAL 68 HB VAL 68 33.145 44.689 40.611 558 HG11 VAL 68 HG11 VAL 68 32.242 46.932 42.484 559 HG12 VAL 68 HG12 VAL 68 31.319 45.531 41.936 560 HG13 VAL 68 HG13 VAL 68 32.694 45.319 43.042 561 HG21 VAL 68 HG21 VAL 68 31.640 46.580 39.786 562 HG22 VAL 68 HG22 VAL 68 32.959 47.704 40.098 563 HG23 VAL 68 HG23 VAL 68 33.154 46.404 38.902 564 H SER 69 H SER 69 34.779 44.050 39.558 565 HA SER 69 HA SER 69 37.532 44.295 38.686 566 HB2 SER 69 HB2 SER 69 36.499 42.780 36.810 567 HB3 SER 69 HB3 SER 69 36.792 42.165 38.456 568 HG SER 69 HG SER 69 34.680 41.836 37.375 569 H VAL 70 H VAL 70 38.362 45.073 36.826 570 HA VAL 70 HA VAL 70 38.761 46.392 35.128 571 HB VAL 70 HB VAL 70 35.791 46.366 34.532 572 HG11 VAL 70 HG11 VAL 70 38.270 47.097 32.928 573 HG12 VAL 70 HG12 VAL 70 36.626 46.915 32.251 574 HG13 VAL 70 HG13 VAL 70 36.971 48.213 33.418 575 HG21 VAL 70 HG21 VAL 70 36.827 44.089 34.505 576 HG22 VAL 70 HG22 VAL 70 36.337 44.659 32.908 577 HG23 VAL 70 HG23 VAL 70 38.048 44.705 33.350 578 HA PRO 71 HA PRO 71 38.249 50.478 37.055 579 HB2 PRO 71 HB2 PRO 71 40.856 50.991 35.653 580 HB3 PRO 71 HB3 PRO 71 40.374 51.324 37.325 581 HG2 PRO 71 HG2 PRO 71 41.973 49.178 36.704 582 HG3 PRO 71 HG3 PRO 71 40.683 49.015 37.949 583 HD2 PRO 71 HD2 PRO 71 40.621 48.228 35.043 584 HD3 PRO 71 HD3 PRO 71 40.141 47.282 36.495 585 H TYR 72 H TYR 72 37.387 52.355 36.290 586 HA TYR 72 HA TYR 72 36.179 52.331 33.753 587 HB2 TYR 72 HB2 TYR 72 35.449 53.417 35.905 588 HB3 TYR 72 HB3 TYR 72 36.549 54.744 35.574 589 HD1 TYR 72 HD2 TYR 72 33.440 53.039 34.717 590 HD2 TYR 72 HD1 TYR 72 36.034 56.314 33.634 591 HE1 TYR 72 HE2 TYR 72 31.574 54.113 33.468 592 HE2 TYR 72 HE1 TYR 72 34.195 57.345 32.351 593 HH TYR 72 HH TYR 72 32.129 56.868 31.312 594 H ALA 73 H ALA 73 39.052 54.130 34.976 595 HA ALA 73 HA ALA 73 39.721 55.531 32.660 596 HB1 ALA 73 HB1 ALA 73 41.617 54.307 34.661 597 HB2 ALA 73 HB2 ALA 73 41.963 55.584 33.447 598 HB3 ALA 73 HB3 ALA 73 40.861 55.927 34.761 599 H MET 74 H MET 74 39.971 51.957 33.012 600 HA MET 74 HA MET 74 42.171 51.718 31.225 601 HB2 MET 74 HB2 MET 74 41.378 50.068 33.076 602 HB3 MET 74 HB3 MET 74 40.143 49.527 31.938 603 HG2 MET 74 HG2 MET 74 42.259 48.117 32.166 604 HG3 MET 74 HG3 MET 74 41.684 48.459 30.551 605 HE1 MET 74 HE1 MET 74 44.895 47.503 31.256 606 HE2 MET 74 HE2 MET 74 43.850 47.528 29.812 607 HE3 MET 74 HE3 MET 74 45.409 48.392 29.800 608 H ASN 75 H ASN 75 38.871 52.129 30.705 609 HA ASN 75 HA ASN 75 38.996 51.510 27.771 610 HB2 ASN 75 HB2 ASN 75 37.130 50.543 28.961 611 HB3 ASN 75 HB3 ASN 75 36.854 52.069 29.821 612 HD21 ASN 75 HD22 ASN 75 34.974 52.999 29.183 613 HD22 ASN 75 HD21 ASN 75 34.611 53.242 27.472 614 H LEU 76 H LEU 76 38.625 54.095 30.162 615 HA LEU 76 HA LEU 76 37.635 56.093 28.383 616 HB2 LEU 76 HB2 LEU 76 37.387 55.706 30.964 617 HB3 LEU 76 HB3 LEU 76 38.890 56.608 31.094 618 HG LEU 76 HG LEU 76 36.882 57.837 31.621 619 HD11 LEU 76 HD11 LEU 76 38.335 58.972 29.201 620 HD12 LEU 76 HD12 LEU 76 37.156 59.857 30.180 621 HD13 LEU 76 HD13 LEU 76 38.642 59.297 30.934 622 HD21 LEU 76 HD21 LEU 76 35.274 56.813 30.107 623 HD22 LEU 76 HD22 LEU 76 35.267 58.580 30.039 624 HD23 LEU 76 HD23 LEU 76 36.009 57.663 28.722 625 H LEU 77 H LEU 77 40.817 55.636 29.943 626 HA LEU 77 HA LEU 77 42.092 57.622 28.100 627 HB2 LEU 77 HB2 LEU 77 43.213 56.691 30.736 628 HB3 LEU 77 HB3 LEU 77 43.841 57.911 29.628 629 HG LEU 77 HG LEU 77 43.036 59.186 31.317 630 HD11 LEU 77 HD11 LEU 77 40.696 59.140 29.387 631 HD12 LEU 77 HD12 LEU 77 40.828 60.222 30.791 632 HD13 LEU 77 HD13 LEU 77 42.038 60.293 29.528 633 HD21 LEU 77 HD21 LEU 77 42.241 57.714 32.769 634 HD22 LEU 77 HD22 LEU 77 40.862 58.784 32.498 635 HD23 LEU 77 HD23 LEU 77 40.884 57.153 31.756 636 H ASN 78 H ASN 78 43.908 55.170 29.838 637 HA ASN 78 HA ASN 78 45.527 53.792 28.995 638 HB2 ASN 78 HB2 ASN 78 43.874 52.324 29.654 639 HB3 ASN 78 HB3 ASN 78 42.862 52.624 28.217 640 HD21 ASN 78 HD22 ASN 78 46.400 51.790 28.468 641 HD22 ASN 78 HD21 ASN 78 46.147 50.233 27.692 642 H GLY 79 H GLY 79 46.242 55.686 27.668 643 HA2 GLY 79 HA2 GLY 79 47.633 55.229 25.592 644 HA3 GLY 79 HA3 GLY 79 46.093 55.214 24.710 645 H ILE 80 H ILE 80 46.720 57.559 27.349 646 HA ILE 80 HA ILE 80 46.832 59.660 25.250 647 HB ILE 80 HB ILE 80 44.987 60.868 26.089 648 HG12 ILE 80 HG12 ILE 80 43.641 59.370 28.006 649 HG13 ILE 80 HG13 ILE 80 45.362 59.202 28.454 650 HG21 ILE 80 HG21 ILE 80 43.938 57.997 25.913 651 HG22 ILE 80 HG22 ILE 80 43.027 59.504 25.712 652 HG23 ILE 80 HG23 ILE 80 44.234 59.044 24.517 653 HD11 ILE 80 HD11 ILE 80 44.157 61.130 29.469 654 HD12 ILE 80 HD12 ILE 80 45.608 61.614 28.547 655 HD13 ILE 80 HD13 ILE 80 43.997 61.842 27.843 656 H LYS 81 H LYS 81 47.341 61.657 25.779 657 HA LYS 81 HA LYS 81 48.609 62.346 28.294 658 HB2 LYS 81 HB2 LYS 81 50.877 62.509 27.071 659 HB3 LYS 81 HB3 LYS 81 50.286 61.031 27.817 660 HG2 LYS 81 HG2 LYS 81 51.242 60.303 25.845 661 HG3 LYS 81 HG3 LYS 81 49.519 60.253 25.512 662 HD2 LYS 81 HD2 LYS 81 49.693 62.418 24.281 663 HD3 LYS 81 HD3 LYS 81 51.418 62.498 24.708 664 HE2 LYS 81 HE2 LYS 81 51.801 60.399 23.409 665 HE3 LYS 81 HE3 LYS 81 50.105 60.345 22.984 666 HZ1 LYS 81 HZ1 LYS 81 51.112 61.421 21.196 667 HZ2 LYS 81 HZ2 LYS 81 50.555 62.687 22.027 668 HZ3 LYS 81 HZ3 LYS 81 52.131 62.286 22.120 669 H LEU 82 H LEU 82 49.948 64.353 27.892 670 HA LEU 82 HA LEU 82 49.154 66.020 25.556 671 HB2 LEU 82 HB2 LEU 82 48.095 66.659 27.758 672 HB3 LEU 82 HB3 LEU 82 49.678 66.747 28.505 673 HG LEU 82 HG LEU 82 50.300 68.560 26.832 674 HD11 LEU 82 HD11 LEU 82 48.471 68.092 25.173 675 HD12 LEU 82 HD12 LEU 82 47.275 68.408 26.440 676 HD13 LEU 82 HD13 LEU 82 48.314 69.733 25.838 677 HD21 LEU 82 HD21 LEU 82 48.940 70.250 28.090 678 HD22 LEU 82 HD22 LEU 82 48.025 68.896 28.802 679 HD23 LEU 82 HD23 LEU 82 49.770 69.051 29.117 680 H TYR 83 H TYR 83 51.582 65.149 27.889 681 HA TYR 83 HA TYR 83 53.743 66.756 26.781 682 HB2 TYR 83 HB2 TYR 83 53.533 64.546 28.855 683 HB3 TYR 83 HB3 TYR 83 55.042 65.415 28.515 684 HD1 TYR 83 HD1 TYR 83 52.587 67.903 28.482 685 HD2 TYR 83 HD2 TYR 83 54.503 65.121 31.126 686 HE1 TYR 83 HE1 TYR 83 52.285 69.507 30.394 687 HE2 TYR 83 HE2 TYR 83 54.059 66.644 33.067 688 HH TYR 83 HH TYR 83 52.857 69.891 32.630 689 H GLY 84 H GLY 84 53.352 63.177 27.193 690 HA2 GLY 84 HA2 GLY 84 54.286 62.594 24.482 691 HA3 GLY 84 HA3 GLY 84 55.566 62.436 25.701 692 H ARG 85 H ARG 85 54.289 61.288 27.801 693 HA ARG 85 HA ARG 85 54.308 58.507 26.715 694 HB2 ARG 85 HB2 ARG 85 54.958 59.662 29.436 695 HB3 ARG 85 HB3 ARG 85 54.643 57.939 29.159 696 HG2 ARG 85 HG2 ARG 85 56.933 58.062 29.003 697 HG3 ARG 85 HG3 ARG 85 56.416 58.053 27.300 698 HD2 ARG 85 HD2 ARG 85 56.654 60.669 27.512 699 HD3 ARG 85 HD3 ARG 85 57.524 60.255 28.990 700 HE ARG 85 HE ARG 85 58.437 58.793 26.562 701 HH11 ARG 85 HH11 ARG 85 58.763 61.775 28.450 702 HH12 ARG 85 HH12 ARG 85 60.365 62.018 27.833 703 HH21 ARG 85 HH21 ARG 85 60.569 59.209 25.916 704 HH22 ARG 85 HH22 ARG 85 61.380 60.577 26.666 705 HA PRO 86 HA PRO 86 49.903 58.737 27.295 706 HB2 PRO 86 HB2 PRO 86 49.282 56.283 26.275 707 HB3 PRO 86 HB3 PRO 86 49.645 57.711 25.246 708 HG2 PRO 86 HG2 PRO 86 51.430 55.417 26.096 709 HG3 PRO 86 HG3 PRO 86 51.350 56.191 24.460 710 HD2 PRO 86 HD2 PRO 86 53.289 56.698 26.354 711 HD3 PRO 86 HD3 PRO 86 52.777 57.900 25.156 712 H ILE 87 H ILE 87 48.822 58.360 28.996 713 HA ILE 87 HA ILE 87 49.965 56.898 31.103 714 HB ILE 87 HB ILE 87 47.387 58.362 30.668 715 HG12 ILE 87 HG12 ILE 87 49.451 59.561 31.282 716 HG13 ILE 87 HG13 ILE 87 48.172 59.735 32.500 717 HG21 ILE 87 HG21 ILE 87 47.782 56.395 32.906 718 HG22 ILE 87 HG22 ILE 87 46.813 57.868 33.148 719 HG23 ILE 87 HG23 ILE 87 46.354 56.721 31.884 720 HD11 ILE 87 HD11 ILE 87 50.647 58.001 32.753 721 HD12 ILE 87 HD12 ILE 87 50.316 59.543 33.546 722 HD13 ILE 87 HD13 ILE 87 49.324 58.133 33.960 723 H LYS 88 H LYS 88 50.059 54.866 31.473 724 HA LYS 88 HA LYS 88 48.144 52.977 30.281 725 HB2 LYS 88 HB2 LYS 88 50.608 52.790 29.783 726 HB3 LYS 88 HB3 LYS 88 50.867 52.459 31.500 727 HG2 LYS 88 HG2 LYS 88 50.759 50.401 30.115 728 HG3 LYS 88 HG3 LYS 88 49.683 50.502 31.521 729 HD2 LYS 88 HD2 LYS 88 47.740 50.834 30.166 730 HD3 LYS 88 HD3 LYS 88 48.668 51.017 28.690 731 HE2 LYS 88 HE2 LYS 88 49.004 48.512 30.366 732 HE3 LYS 88 HE3 LYS 88 47.557 48.666 29.369 733 HZ1 LYS 88 HZ1 LYS 88 50.306 48.679 28.302 734 HZ2 LYS 88 HZ2 LYS 88 49.162 47.561 28.130 735 HZ3 LYS 88 HZ3 LYS 88 48.953 49.014 27.448 736 H ILE 89 H ILE 89 46.507 53.203 31.788 737 HA ILE 89 HA ILE 89 46.697 52.531 34.613 738 HB ILE 89 HB ILE 89 44.421 52.093 32.631 739 HG12 ILE 89 HG12 ILE 89 43.697 54.218 34.186 740 HG13 ILE 89 HG13 ILE 89 45.434 54.519 34.096 741 HG21 ILE 89 HG21 ILE 89 44.425 52.309 35.658 742 HG22 ILE 89 HG22 ILE 89 42.989 52.117 34.617 743 HG23 ILE 89 HG23 ILE 89 44.154 50.800 34.750 744 HD11 ILE 89 HD11 ILE 89 43.574 54.158 31.723 745 HD12 ILE 89 HD12 ILE 89 44.113 55.718 32.410 746 HD13 ILE 89 HD13 ILE 89 45.287 54.647 31.633 747 H GLN 90 H GLN 90 46.952 50.598 35.621 748 HA GLN 90 HA GLN 90 46.374 48.101 34.149 749 HB2 GLN 90 HB2 GLN 90 48.716 48.363 36.061 750 HB3 GLN 90 HB3 GLN 90 48.261 46.956 35.097 751 HG2 GLN 90 HG2 GLN 90 48.878 48.153 33.029 752 HG3 GLN 90 HG3 GLN 90 49.237 49.608 33.980 753 HE21 GLN 90 HE22 GLN 90 51.128 48.016 32.208 754 HE22 GLN 90 HE21 GLN 90 52.406 47.571 33.308 755 H PHE 91 H PHE 91 45.835 46.331 35.492 756 HA PHE 91 HA PHE 91 45.588 46.719 38.402 757 HB2 PHE 91 HB2 PHE 91 43.443 47.516 37.036 758 HB3 PHE 91 HB3 PHE 91 43.113 45.799 37.013 759 HD1 PHE 91 HD2 PHE 91 43.996 48.677 39.244 760 HD2 PHE 91 HD1 PHE 91 42.565 44.645 39.120 761 HE1 PHE 91 HE2 PHE 91 43.152 48.901 41.609 762 HE2 PHE 91 HE1 PHE 91 41.853 44.820 41.502 763 HZ PHE 91 HZ PHE 91 42.016 47.012 42.684 764 H ARG 92 H ARG 92 45.307 44.780 39.644 765 HA ARG 92 HA ARG 92 45.990 42.318 38.271 766 HB2 ARG 92 HB2 ARG 92 45.942 43.182 41.174 767 HB3 ARG 92 HB3 ARG 92 45.963 41.507 40.825 768 HG2 ARG 92 HG2 ARG 92 48.091 43.452 39.753 769 HG3 ARG 92 HG3 ARG 92 48.281 42.432 41.158 770 HD2 ARG 92 HD2 ARG 92 47.987 41.479 38.287 771 HD3 ARG 92 HD3 ARG 92 49.385 41.350 39.335 772 HE ARG 92 HE ARG 92 46.881 39.714 39.501 773 HH11 ARG 92 HH11 ARG 92 50.148 40.378 40.803 774 HH12 ARG 92 HH12 ARG 92 50.035 38.902 41.755 775 HH21 ARG 92 HH21 ARG 92 46.943 37.968 40.842 776 HH22 ARG 92 HH22 ARG 92 48.373 37.735 41.856 777 H SER 93 H SER 93 45.126 40.465 38.226 778 HA SER 93 HA SER 93 42.496 39.809 39.492 779 HB2 SER 93 HB2 SER 93 43.610 39.052 36.786 780 HB3 SER 93 HB3 SER 93 42.258 38.197 37.558 781 HG SER 93 HG SER 93 41.621 39.941 36.315 782 H GLY 94 H GLY 94 42.272 37.274 39.655 783 HA2 GLY 94 HA2 GLY 94 44.232 35.428 40.137 784 HA3 GLY 94 HA3 GLY 94 44.321 36.469 41.553 785 H SER 95 H SER 95 41.114 35.749 40.155 786 HA SER 95 HA SER 95 39.267 34.857 41.115 787 HB2 SER 95 HB2 SER 95 41.342 32.674 41.288 788 HB3 SER 95 HB3 SER 95 39.614 32.369 41.536 789 HG SER 95 HG SER 95 39.857 32.110 39.490 790 H SER 96 H SER 96 40.248 36.493 43.198 791 HA SER 96 HA SER 96 39.082 35.160 45.488 792 HB2 SER 96 HB2 SER 96 41.070 35.409 46.958 793 HB3 SER 96 HB3 SER 96 41.311 34.190 45.710 794 HG SER 96 HG SER 96 42.524 35.650 44.547 795 H HIS 97 H HIS 97 39.105 36.531 47.457 796 HA HIS 97 HA HIS 97 38.823 39.445 46.855 797 HB2 HIS 97 HB2 HIS 97 36.874 37.520 48.192 798 HB3 HIS 97 HB3 HIS 97 36.683 39.279 48.122 799 HD2 HIS 97 HD2 HIS 97 37.538 39.580 44.983 800 HE1 HIS 97 HE1 HIS 97 34.030 37.296 44.285 801 HE2 HIS 97 HE2 HIS 97 35.804 38.767 43.234 802 H ALA 98 H ALA 98 39.199 40.859 48.591 803 HA ALA 98 HA ALA 98 40.999 40.181 50.580 804 HB1 ALA 98 HB1 ALA 98 39.022 42.486 50.563 805 HB2 ALA 98 HB2 ALA 98 40.449 42.328 51.599 806 HB3 ALA 98 HB3 ALA 98 40.657 42.459 49.852 807 HA PRO 99 HA PRO 99 38.206 38.439 53.737 808 HB2 PRO 99 HB2 PRO 99 39.988 38.185 55.806 809 HB3 PRO 99 HB3 PRO 99 39.866 37.056 54.434 810 HG2 PRO 99 HG2 PRO 99 41.895 39.197 55.005 811 HG3 PRO 99 HG3 PRO 99 42.122 37.715 54.049 812 HD2 PRO 99 HD2 PRO 99 41.609 40.371 53.106 813 HD3 PRO 99 HD3 PRO 99 41.654 38.866 52.119 814 H GLN 100 H GLN 100 36.831 39.436 54.793 815 HA GLN 100 HA GLN 100 37.269 41.948 56.253 816 HB2 GLN 100 HB2 GLN 100 35.589 41.704 54.445 817 HB3 GLN 100 HB3 GLN 100 34.892 40.330 55.279 818 HG2 GLN 100 HG2 GLN 100 33.510 42.190 55.470 819 HG3 GLN 100 HG3 GLN 100 34.112 41.817 57.093 820 HE21 GLN 100 HE22 GLN 100 32.977 44.355 56.004 821 HE22 GLN 100 HE21 GLN 100 34.268 45.530 56.291 822 H ASP 101 H ASP 101 36.704 38.565 56.949 823 HA ASP 101 HA ASP 101 35.834 39.024 59.777 824 HB2 ASP 101 HB2 ASP 101 35.003 36.633 58.107 825 HB3 ASP 101 HB3 ASP 101 34.470 37.075 59.698 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 36.469 14.960 39.076 2 H2 GLY 1 H2 GLY 1 36.365 13.505 38.326 3 H3 GLY 1 H3 GLY 1 37.755 13.980 39.050 4 HA2 GLY 1 HA2 GLY 1 35.355 12.927 40.312 5 HA3 GLY 1 HA3 GLY 1 37.059 12.527 40.607 6 H SER 2 H SER 2 37.049 12.926 42.838 7 HA SER 2 HA SER 2 35.487 14.891 44.059 8 HB2 SER 2 HB2 SER 2 37.818 13.267 45.118 9 HB3 SER 2 HB3 SER 2 36.751 14.265 46.116 10 HG SER 2 HG SER 2 35.435 12.608 45.954 11 H GLU 3 H GLU 3 35.906 16.832 45.137 12 HA GLU 3 HA GLU 3 37.522 18.631 43.613 13 HB2 GLU 3 HB2 GLU 3 35.999 19.052 46.193 14 HB3 GLU 3 HB3 GLU 3 36.932 20.294 45.373 15 HG2 GLU 3 HG2 GLU 3 34.582 20.460 44.731 16 HG3 GLU 3 HG3 GLU 3 35.607 20.124 43.355 17 H PHE 4 H PHE 4 39.372 19.751 44.059 18 HA PHE 4 HA PHE 4 41.101 19.095 46.358 19 HB2 PHE 4 HB2 PHE 4 41.436 17.361 44.566 20 HB3 PHE 4 HB3 PHE 4 41.866 18.618 43.425 21 HD1 PHE 4 HD2 PHE 4 42.964 16.722 46.388 22 HD2 PHE 4 HD1 PHE 4 44.060 19.584 43.351 23 HE1 PHE 4 HE2 PHE 4 45.365 16.274 46.819 24 HE2 PHE 4 HE1 PHE 4 46.457 19.165 43.825 25 HZ PHE 4 HZ PHE 4 47.103 17.439 45.493 26 H GLU 5 H GLU 5 40.373 21.257 43.665 27 HA GLU 5 HA GLU 5 42.505 23.131 44.550 28 HB2 GLU 5 HB2 GLU 5 41.163 22.841 41.848 29 HB3 GLU 5 HB3 GLU 5 42.374 24.072 42.273 30 HG2 GLU 5 HG2 GLU 5 44.030 22.316 42.732 31 HG3 GLU 5 HG3 GLU 5 42.849 21.081 42.270 32 H LEU 6 H LEU 6 39.177 22.763 45.127 33 HA LEU 6 HA LEU 6 38.537 25.594 45.049 34 HB2 LEU 6 HB2 LEU 6 37.497 23.490 46.988 35 HB3 LEU 6 HB3 LEU 6 36.876 25.111 46.711 36 HG LEU 6 HG LEU 6 36.630 22.778 44.782 37 HD11 LEU 6 HD11 LEU 6 35.251 22.598 46.713 38 HD12 LEU 6 HD12 LEU 6 34.760 24.306 46.617 39 HD13 LEU 6 HD13 LEU 6 34.217 23.155 45.373 40 HD21 LEU 6 HD21 LEU 6 36.886 24.778 43.476 41 HD22 LEU 6 HD22 LEU 6 35.152 24.410 43.520 42 HD23 LEU 6 HD23 LEU 6 35.785 25.710 44.534 43 H ARG 7 H ARG 7 38.573 27.047 46.989 44 HA ARG 7 HA ARG 7 40.930 26.842 48.677 45 HB2 ARG 7 HB2 ARG 7 38.487 28.680 48.954 46 HB3 ARG 7 HB3 ARG 7 39.948 28.768 49.878 47 HG2 ARG 7 HG2 ARG 7 40.072 30.441 48.209 48 HG3 ARG 7 HG3 ARG 7 41.272 29.197 47.813 49 HD2 ARG 7 HD2 ARG 7 40.086 28.463 45.933 50 HD3 ARG 7 HD3 ARG 7 38.571 29.151 46.461 51 HE ARG 7 HE ARG 7 40.868 30.534 45.143 52 HH11 ARG 7 HH11 ARG 7 37.783 31.124 46.828 53 HH12 ARG 7 HH12 ARG 7 37.446 32.493 45.796 54 HH21 ARG 7 HH21 ARG 7 40.166 32.245 43.860 55 HH22 ARG 7 HH22 ARG 7 38.541 32.863 44.075 56 H ARG 8 H ARG 8 41.085 26.043 50.710 57 HA ARG 8 HA ARG 8 38.908 24.355 51.812 58 HB2 ARG 8 HB2 ARG 8 41.709 24.888 52.856 59 HB3 ARG 8 HB3 ARG 8 40.515 23.831 53.600 60 HG2 ARG 8 HG2 ARG 8 41.326 22.136 52.410 61 HG3 ARG 8 HG3 ARG 8 40.632 22.886 50.959 62 HD2 ARG 8 HD2 ARG 8 42.862 24.282 51.010 63 HD3 ARG 8 HD3 ARG 8 43.430 22.994 52.081 64 HE ARG 8 HE ARG 8 42.385 21.632 49.857 65 HH11 ARG 8 HH11 ARG 8 44.912 24.045 50.490 66 HH12 ARG 8 HH12 ARG 8 45.833 23.501 49.111 67 HH21 ARG 8 HH21 ARG 8 43.555 21.435 47.775 68 HH22 ARG 8 HH22 ARG 8 45.209 22.012 47.894 69 H GLN 9 H GLN 9 40.247 27.546 52.376 70 HA GLN 9 HA GLN 9 38.457 28.010 54.695 71 HB2 GLN 9 HB2 GLN 9 40.498 29.677 53.221 72 HB3 GLN 9 HB3 GLN 9 39.247 30.430 54.220 73 HG2 GLN 9 HG2 GLN 9 39.863 29.182 56.163 74 HG3 GLN 9 HG3 GLN 9 41.108 28.287 55.298 75 HE21 GLN 9 HE22 GLN 9 42.064 29.653 57.490 76 HE22 GLN 9 HE21 GLN 9 42.820 31.165 57.014 77 H GLN 10 H GLN 10 36.848 29.704 54.577 78 HA GLN 10 HA GLN 10 35.112 28.985 52.576 79 HB2 GLN 10 HB2 GLN 10 33.564 30.656 53.519 80 HB3 GLN 10 HB3 GLN 10 34.318 29.627 54.725 81 HG2 GLN 10 HG2 GLN 10 35.762 31.416 55.485 82 HG3 GLN 10 HG3 GLN 10 35.268 32.473 54.140 83 HE21 GLN 10 HE22 GLN 10 34.690 31.762 57.400 84 HE22 GLN 10 HE21 GLN 10 33.023 32.313 57.438 85 H ALA 11 H ALA 11 37.234 31.841 52.250 86 HA ALA 11 HA ALA 11 35.929 32.383 49.627 87 HB1 ALA 11 HB1 ALA 11 35.475 34.603 50.174 88 HB2 ALA 11 HB2 ALA 11 34.822 33.630 51.501 89 HB3 ALA 11 HB3 ALA 11 36.354 34.485 51.738 90 H LEU 12 H LEU 12 37.187 33.916 48.312 91 HA LEU 12 HA LEU 12 40.048 33.979 48.296 92 HB2 LEU 12 HB2 LEU 12 39.786 35.664 46.595 93 HB3 LEU 12 HB3 LEU 12 38.614 34.416 46.372 94 HG LEU 12 HG LEU 12 37.076 36.074 47.891 95 HD11 LEU 12 HD11 LEU 12 38.759 38.049 46.305 96 HD12 LEU 12 HD12 LEU 12 37.344 38.357 47.339 97 HD13 LEU 12 HD13 LEU 12 38.860 37.832 48.069 98 HD21 LEU 12 HD21 LEU 12 36.463 35.112 45.818 99 HD22 LEU 12 HD22 LEU 12 36.074 36.827 45.810 100 HD23 LEU 12 HD23 LEU 12 37.505 36.224 44.902 101 H ALA 13 H ALA 13 41.362 35.973 48.833 102 HA ALA 13 HA ALA 13 40.645 36.637 51.664 103 HB1 ALA 13 HB1 ALA 13 42.795 35.556 52.216 104 HB2 ALA 13 HB2 ALA 13 41.854 34.443 51.203 105 HB3 ALA 13 HB3 ALA 13 43.165 35.415 50.487 106 H GLU 14 H GLU 14 41.589 38.162 48.822 107 HA GLU 14 HA GLU 14 43.110 40.156 50.362 108 HB2 GLU 14 HB2 GLU 14 44.576 38.281 49.195 109 HB3 GLU 14 HB3 GLU 14 44.133 39.113 47.712 110 HG2 GLU 14 HG2 GLU 14 46.246 39.972 48.551 111 HG3 GLU 14 HG3 GLU 14 45.012 41.238 48.660 112 H ALA 15 H ALA 15 42.681 42.186 49.797 113 HA ALA 15 HA ALA 15 42.036 42.981 47.044 114 HB1 ALA 15 HB1 ALA 15 39.891 43.945 47.699 115 HB2 ALA 15 HB2 ALA 15 39.936 42.294 48.333 116 HB3 ALA 15 HB3 ALA 15 40.274 43.646 49.425 117 H ASP 16 H ASP 16 42.026 45.539 46.910 118 HA ASP 16 HA ASP 16 43.307 47.017 49.113 119 HB2 ASP 16 HB2 ASP 16 45.229 46.172 47.740 120 HB3 ASP 16 HB3 ASP 16 44.511 46.919 46.326 121 H ARG 17 H ARG 17 43.079 49.407 48.793 122 HA ARG 17 HA ARG 17 40.522 50.089 47.460 123 HB2 ARG 17 HB2 ARG 17 42.142 51.470 49.605 124 HB3 ARG 17 HB3 ARG 17 41.010 52.379 48.635 125 HG2 ARG 17 HG2 ARG 17 39.946 51.746 50.593 126 HG3 ARG 17 HG3 ARG 17 39.161 51.018 49.177 127 HD2 ARG 17 HD2 ARG 17 39.251 49.558 51.201 128 HD3 ARG 17 HD3 ARG 17 39.895 48.854 49.695 129 HE ARG 17 HE ARG 17 42.087 49.960 51.076 130 HH11 ARG 17 HH11 ARG 17 39.823 47.230 51.134 131 HH12 ARG 17 HH12 ARG 17 40.969 46.294 52.061 132 HH21 ARG 17 HH21 ARG 17 43.494 48.579 51.741 133 HH22 ARG 17 HH22 ARG 17 43.067 46.917 52.167 134 H THR 18 H THR 18 43.098 49.808 45.828 135 HA THR 18 HA THR 18 43.240 52.591 44.711 136 HB THR 18 HB THR 18 45.828 51.270 45.322 137 HG1 THR 18 HG1 THR 18 44.982 50.922 47.198 138 HG21 THR 18 HG21 THR 18 45.861 53.581 44.433 139 HG22 THR 18 HG22 THR 18 44.926 54.138 45.852 140 HG23 THR 18 HG23 THR 18 46.526 53.449 46.075 141 H LEU 19 H LEU 19 44.221 52.943 42.819 142 HA LEU 19 HA LEU 19 44.124 50.736 40.852 143 HB2 LEU 19 HB2 LEU 19 42.509 52.695 40.832 144 HB3 LEU 19 HB3 LEU 19 43.879 53.774 40.643 145 HG LEU 19 HG LEU 19 44.433 52.789 38.468 146 HD11 LEU 19 HD11 LEU 19 41.861 51.213 38.841 147 HD12 LEU 19 HD12 LEU 19 42.820 51.309 37.341 148 HD13 LEU 19 HD13 LEU 19 43.501 50.507 38.755 149 HD21 LEU 19 HD21 LEU 19 41.518 53.649 38.784 150 HD22 LEU 19 HD22 LEU 19 42.885 54.753 38.706 151 HD23 LEU 19 HD23 LEU 19 42.477 53.749 37.289 152 H PHE 20 H PHE 20 45.900 50.277 39.492 153 HA PHE 20 HA PHE 20 48.411 51.664 40.186 154 HB2 PHE 20 HB2 PHE 20 48.353 49.172 40.130 155 HB3 PHE 20 HB3 PHE 20 48.054 49.242 38.403 156 HD1 PHE 20 HD1 PHE 20 49.776 50.544 36.928 157 HD2 PHE 20 HD2 PHE 20 50.582 49.359 40.987 158 HE1 PHE 20 HE1 PHE 20 52.196 50.652 36.471 159 HE2 PHE 20 HE2 PHE 20 53.019 49.438 40.524 160 HZ PHE 20 HZ PHE 20 53.832 50.083 38.257 161 H VAL 21 H VAL 21 49.437 53.115 38.833 162 HA VAL 21 HA VAL 21 48.519 53.273 36.002 163 HB VAL 21 HB VAL 21 49.066 55.717 37.702 164 HG11 VAL 21 HG11 VAL 21 47.668 55.318 35.025 165 HG12 VAL 21 HG12 VAL 21 48.028 56.875 35.829 166 HG13 VAL 21 HG13 VAL 21 49.337 55.871 35.188 167 HG21 VAL 21 HG21 VAL 21 46.966 54.637 38.585 168 HG22 VAL 21 HG22 VAL 21 46.624 56.132 37.733 169 HG23 VAL 21 HG23 VAL 21 46.320 54.562 36.952 170 H GLY 22 H GLY 22 50.167 53.028 34.677 171 HA2 GLY 22 HA2 GLY 22 52.966 53.807 35.443 172 HA3 GLY 22 HA3 GLY 22 52.651 52.311 34.621 173 H ASN 23 H ASN 23 54.267 53.548 33.415 174 HA ASN 23 HA ASN 23 54.989 54.303 31.452 175 HB2 ASN 23 HB2 ASN 23 52.876 52.927 30.757 176 HB3 ASN 23 HB3 ASN 23 52.178 54.544 30.468 177 HD21 ASN 23 HD21 ASN 23 52.041 54.698 28.327 178 HD22 ASN 23 HD22 ASN 23 53.319 54.311 27.179 179 H LEU 24 H LEU 24 54.304 56.071 33.587 180 HA LEU 24 HA LEU 24 53.143 58.552 32.787 181 HB2 LEU 24 HB2 LEU 24 55.158 57.854 34.951 182 HB3 LEU 24 HB3 LEU 24 54.441 59.411 34.841 183 HG LEU 24 HG LEU 24 53.609 57.585 36.571 184 HD11 LEU 24 HD11 LEU 24 51.767 59.450 35.081 185 HD12 LEU 24 HD12 LEU 24 51.166 58.442 36.423 186 HD13 LEU 24 HD13 LEU 24 52.365 59.596 36.789 187 HD21 LEU 24 HD21 LEU 24 53.046 55.874 35.036 188 HD22 LEU 24 HD22 LEU 24 51.559 56.417 35.851 189 HD23 LEU 24 HD23 LEU 24 51.865 56.926 34.187 190 H GLU 25 H GLU 25 54.222 60.610 32.736 191 HA GLU 25 HA GLU 25 56.760 60.649 31.231 192 HB2 GLU 25 HB2 GLU 25 54.479 62.308 31.285 193 HB3 GLU 25 HB3 GLU 25 55.717 63.252 32.113 194 HG2 GLU 25 HG2 GLU 25 56.254 61.819 29.508 195 HG3 GLU 25 HG3 GLU 25 55.549 63.420 29.495 196 H THR 26 H THR 26 58.409 62.175 31.762 197 HA THR 26 HA THR 26 59.633 61.627 34.264 198 HB THR 26 HB THR 26 61.344 63.232 33.535 199 HG1 THR 26 HG1 THR 26 59.671 63.806 31.376 200 HG21 THR 26 HG21 THR 26 60.184 61.517 31.276 201 HG22 THR 26 HG22 THR 26 61.749 62.324 31.213 202 HG23 THR 26 HG23 THR 26 61.415 61.060 32.467 203 H LYS 27 H LYS 27 57.810 64.365 32.980 204 HA LYS 27 HA LYS 27 57.964 65.821 35.542 205 HB2 LYS 27 HB2 LYS 27 58.333 66.605 32.829 206 HB3 LYS 27 HB3 LYS 27 56.793 67.300 33.290 207 HG2 LYS 27 HG2 LYS 27 58.486 68.916 33.796 208 HG3 LYS 27 HG3 LYS 27 57.881 68.276 35.315 209 HD2 LYS 27 HD2 LYS 27 60.215 68.490 35.528 210 HD3 LYS 27 HD3 LYS 27 59.883 66.766 35.462 211 HE2 LYS 27 HE2 LYS 27 60.831 66.611 33.216 212 HE3 LYS 27 HE3 LYS 27 60.798 68.366 33.031 213 HZ1 LYS 27 HZ1 LYS 27 62.968 67.705 33.588 214 HZ2 LYS 27 HZ2 LYS 27 62.433 68.371 34.973 215 HZ3 LYS 27 HZ3 LYS 27 62.530 66.750 34.767 216 H VAL 28 H VAL 28 56.116 63.555 35.044 217 HA VAL 28 HA VAL 28 53.428 64.593 35.206 218 HB VAL 28 HB VAL 28 54.135 62.229 34.521 219 HG11 VAL 28 HG11 VAL 28 55.566 61.465 36.257 220 HG12 VAL 28 HG12 VAL 28 54.467 61.976 37.548 221 HG13 VAL 28 HG13 VAL 28 54.049 60.587 36.543 222 HG21 VAL 28 HG21 VAL 28 51.848 63.209 35.067 223 HG22 VAL 28 HG22 VAL 28 52.023 61.483 34.931 224 HG23 VAL 28 HG23 VAL 28 51.949 62.227 36.559 225 H THR 29 H THR 29 52.031 64.410 37.162 226 HA THR 29 HA THR 29 53.142 64.707 39.814 227 HB THR 29 HB THR 29 52.207 67.043 40.211 228 HG1 THR 29 HG1 THR 29 52.341 67.190 37.470 229 HG21 THR 29 HG21 THR 29 54.656 67.117 38.428 230 HG22 THR 29 HG22 THR 29 54.276 68.044 39.917 231 HG23 THR 29 HG23 THR 29 54.649 66.324 40.002 232 H GLU 30 H GLU 30 51.450 65.194 41.419 233 HA GLU 30 HA GLU 30 49.137 63.651 40.965 234 HB2 GLU 30 HB2 GLU 30 49.691 65.747 43.081 235 HB3 GLU 30 HB3 GLU 30 48.417 64.503 43.156 236 HG2 GLU 30 HG2 GLU 30 50.323 62.769 42.973 237 HG3 GLU 30 HG3 GLU 30 51.433 64.095 43.184 238 H GLU 31 H GLU 31 49.765 67.083 40.497 239 HA GLU 31 HA GLU 31 47.103 68.120 40.096 240 HB2 GLU 31 HB2 GLU 31 49.796 68.989 38.943 241 HB3 GLU 31 HB3 GLU 31 48.307 69.911 38.812 242 HG2 GLU 31 HG2 GLU 31 48.242 70.017 41.350 243 HG3 GLU 31 HG3 GLU 31 49.848 69.318 41.356 244 H LEU 32 H LEU 32 49.340 66.500 37.824 245 HA LEU 32 HA LEU 32 47.583 66.908 35.490 246 HB2 LEU 32 HB2 LEU 32 49.863 66.822 35.059 247 HB3 LEU 32 HB3 LEU 32 50.122 65.334 35.941 248 HG LEU 32 HG LEU 32 50.369 65.139 33.534 249 HD11 LEU 32 HD11 LEU 32 49.663 63.150 34.963 250 HD12 LEU 32 HD12 LEU 32 48.018 63.381 34.334 251 HD13 LEU 32 HD13 LEU 32 49.336 63.001 33.237 252 HD21 LEU 32 HD21 LEU 32 48.841 66.524 32.446 253 HD22 LEU 32 HD22 LEU 32 48.324 64.874 32.085 254 HD23 LEU 32 HD23 LEU 32 47.443 65.844 33.290 255 H LEU 33 H LEU 33 48.475 64.195 37.646 256 HA LEU 33 HA LEU 33 46.746 62.257 36.529 257 HB2 LEU 33 HB2 LEU 33 47.766 62.762 39.331 258 HB3 LEU 33 HB3 LEU 33 46.937 61.254 38.883 259 HG LEU 33 HG LEU 33 49.619 62.251 37.835 260 HD11 LEU 33 HD11 LEU 33 48.833 59.801 39.492 261 HD12 LEU 33 HD12 LEU 33 50.477 60.243 39.028 262 HD13 LEU 33 HD13 LEU 33 49.567 61.282 40.140 263 HD21 LEU 33 HD21 LEU 33 48.089 59.726 37.114 264 HD22 LEU 33 HD22 LEU 33 48.408 61.100 36.024 265 HD23 LEU 33 HD23 LEU 33 49.759 60.134 36.614 266 H PHE 34 H PHE 34 45.980 64.645 39.134 267 HA PHE 34 HA PHE 34 43.342 63.659 39.520 268 HB2 PHE 34 HB2 PHE 34 44.805 65.137 41.032 269 HB3 PHE 34 HB3 PHE 34 44.454 66.466 39.970 270 HD1 PHE 34 HD1 PHE 34 41.963 67.289 39.941 271 HD2 PHE 34 HD2 PHE 34 43.396 64.319 42.719 272 HE1 PHE 34 HE1 PHE 34 39.954 67.630 41.385 273 HE2 PHE 34 HE2 PHE 34 41.462 64.736 44.176 274 HZ PHE 34 HZ PHE 34 39.647 66.264 43.431 275 H GLU 35 H GLU 35 44.614 66.265 37.380 276 HA GLU 35 HA GLU 35 42.175 67.155 36.211 277 HB2 GLU 35 HB2 GLU 35 44.435 68.301 36.006 278 HB3 GLU 35 HB3 GLU 35 44.981 66.988 34.991 279 HG2 GLU 35 HG2 GLU 35 44.433 68.938 33.669 280 HG3 GLU 35 HG3 GLU 35 43.416 67.593 33.234 281 H LEU 36 H LEU 36 44.284 64.440 35.375 282 HA LEU 36 HA LEU 36 42.897 63.784 32.923 283 HB2 LEU 36 HB2 LEU 36 45.237 63.569 32.990 284 HB3 LEU 36 HB3 LEU 36 45.207 62.688 34.524 285 HG LEU 36 HG LEU 36 43.769 61.339 32.288 286 HD11 LEU 36 HD11 LEU 36 46.805 61.404 32.374 287 HD12 LEU 36 HD12 LEU 36 45.757 60.417 31.304 288 HD13 LEU 36 HD13 LEU 36 45.825 62.188 31.120 289 HD21 LEU 36 HD21 LEU 36 45.971 60.279 34.110 290 HD22 LEU 36 HD22 LEU 36 44.323 60.467 34.695 291 HD23 LEU 36 HD23 LEU 36 44.648 59.389 33.315 292 H PHE 37 H PHE 37 43.112 62.170 36.176 293 HA PHE 37 HA PHE 37 41.041 60.285 35.426 294 HB2 PHE 37 HB2 PHE 37 42.350 60.717 38.081 295 HB3 PHE 37 HB3 PHE 37 41.209 59.453 37.694 296 HD1 PHE 37 HD2 PHE 37 41.876 58.155 35.256 297 HD2 PHE 37 HD1 PHE 37 44.588 60.061 38.007 298 HE1 PHE 37 HE2 PHE 37 43.758 56.754 34.399 299 HE2 PHE 37 HE1 PHE 37 46.429 58.591 37.186 300 HZ PHE 37 HZ PHE 37 46.005 57.026 35.275 301 H HIS 38 H HIS 38 40.608 63.626 36.240 302 HA HIS 38 HA HIS 38 37.972 63.615 37.334 303 HB2 HIS 38 HB2 HIS 38 39.280 65.717 36.727 304 HB3 HIS 38 HB3 HIS 38 39.152 65.259 35.048 305 HD2 HIS 38 HD2 HIS 38 35.849 64.945 37.023 306 HE1 HIS 38 HE1 HIS 38 35.735 68.721 35.086 307 HE2 HIS 38 HE2 HIS 38 34.386 67.010 36.384 308 H GLN 39 H GLN 39 39.100 63.026 34.013 309 HA GLN 39 HA GLN 39 36.419 62.936 32.942 310 HB2 GLN 39 HB2 GLN 39 38.899 61.789 31.699 311 HB3 GLN 39 HB3 GLN 39 37.329 62.148 30.942 312 HG2 GLN 39 HG2 GLN 39 39.426 64.164 31.813 313 HG3 GLN 39 HG3 GLN 39 38.861 63.778 30.207 314 HE21 GLN 39 HE22 GLN 39 38.793 66.458 31.633 315 HE22 GLN 39 HE21 GLN 39 37.109 66.924 31.635 316 H ALA 40 H ALA 40 38.201 60.514 34.712 317 HA ALA 40 HA ALA 40 36.735 58.306 33.396 318 HB1 ALA 40 HB1 ALA 40 38.984 58.387 35.427 319 HB2 ALA 40 HB2 ALA 40 38.136 56.913 34.954 320 HB3 ALA 40 HB3 ALA 40 39.017 57.873 33.729 321 H GLY 41 H GLY 41 35.842 60.501 35.681 322 HA2 GLY 41 HA2 GLY 41 33.557 60.039 36.704 323 HA3 GLY 41 HA3 GLY 41 34.218 58.500 37.214 324 HA PRO 42 HA PRO 42 35.288 61.172 40.764 325 HB2 PRO 42 HB2 PRO 42 34.603 59.383 42.752 326 HB3 PRO 42 HB3 PRO 42 33.468 60.546 42.003 327 HG2 PRO 42 HG2 PRO 42 33.793 57.606 41.502 328 HG3 PRO 42 HG3 PRO 42 32.303 58.605 41.490 329 HD2 PRO 42 HD2 PRO 42 33.702 57.792 39.202 330 HD3 PRO 42 HD3 PRO 42 32.568 59.166 39.289 331 H VAL 43 H VAL 43 36.948 60.967 42.240 332 HA VAL 43 HA VAL 43 38.552 58.538 42.474 333 HB VAL 43 HB VAL 43 40.670 59.962 42.332 334 HG11 VAL 43 HG11 VAL 43 39.245 59.575 39.705 335 HG12 VAL 43 HG12 VAL 43 40.995 59.697 40.002 336 HG13 VAL 43 HG13 VAL 43 40.098 58.292 40.635 337 HG21 VAL 43 HG21 VAL 43 39.849 62.255 42.208 338 HG22 VAL 43 HG22 VAL 43 40.660 61.827 40.701 339 HG23 VAL 43 HG23 VAL 43 38.882 61.859 40.770 340 H ILE 44 H ILE 44 39.633 58.481 44.526 341 HA ILE 44 HA ILE 44 38.360 60.282 46.502 342 HB ILE 44 HB ILE 44 40.138 57.852 46.966 343 HG12 ILE 44 HG12 ILE 44 38.174 57.141 45.726 344 HG13 ILE 44 HG13 ILE 44 38.209 56.504 47.360 345 HG21 ILE 44 HG21 ILE 44 38.330 59.411 48.848 346 HG22 ILE 44 HG22 ILE 44 39.238 57.915 49.222 347 HG23 ILE 44 HG23 ILE 44 40.092 59.414 48.840 348 HD11 ILE 44 HD11 ILE 44 35.963 57.127 46.677 349 HD12 ILE 44 HD12 ILE 44 36.520 57.994 48.117 350 HD13 ILE 44 HD13 ILE 44 36.453 58.832 46.535 351 H LYS 45 H LYS 45 41.548 59.196 45.578 352 HA LYS 45 HA LYS 45 42.791 61.769 45.829 353 HB2 LYS 45 HB2 LYS 45 44.424 61.332 47.556 354 HB3 LYS 45 HB3 LYS 45 42.841 61.154 48.219 355 HG2 LYS 45 HG2 LYS 45 44.035 58.596 47.252 356 HG3 LYS 45 HG3 LYS 45 45.019 59.421 48.433 357 HD2 LYS 45 HD2 LYS 45 42.249 58.284 48.898 358 HD3 LYS 45 HD3 LYS 45 43.768 57.863 49.655 359 HE2 LYS 45 HE2 LYS 45 43.322 60.673 50.099 360 HE3 LYS 45 HE3 LYS 45 41.815 59.820 50.437 361 HZ1 LYS 45 HZ1 LYS 45 44.453 59.195 51.645 362 HZ2 LYS 45 HZ2 LYS 45 43.250 60.013 52.364 363 HZ3 LYS 45 HZ3 LYS 45 43.044 58.443 52.010 364 H VAL 46 H VAL 46 45.082 61.736 45.312 365 HA VAL 46 HA VAL 46 45.984 59.655 43.347 366 HB VAL 46 HB VAL 46 46.477 62.639 43.484 367 HG11 VAL 46 HG11 VAL 46 48.444 61.569 42.516 368 HG12 VAL 46 HG12 VAL 46 47.417 60.685 41.361 369 HG13 VAL 46 HG13 VAL 46 47.522 62.472 41.319 370 HG21 VAL 46 HG21 VAL 46 44.871 61.022 41.437 371 HG22 VAL 46 HG22 VAL 46 44.198 62.159 42.618 372 HG23 VAL 46 HG23 VAL 46 45.249 62.758 41.330 373 H LYS 47 H LYS 47 48.035 58.988 43.525 374 HA LYS 47 HA LYS 47 50.034 60.077 45.453 375 HB2 LYS 47 HB2 LYS 47 49.171 58.010 46.360 376 HB3 LYS 47 HB3 LYS 47 49.163 57.220 44.796 377 HG2 LYS 47 HG2 LYS 47 50.962 56.251 46.068 378 HG3 LYS 47 HG3 LYS 47 51.608 57.112 44.712 379 HD2 LYS 47 HD2 LYS 47 51.963 59.116 46.358 380 HD3 LYS 47 HD3 LYS 47 51.564 57.963 47.632 381 HE2 LYS 47 HE2 LYS 47 53.881 57.686 45.630 382 HE3 LYS 47 HE3 LYS 47 54.016 58.337 47.257 383 HZ1 LYS 47 HZ1 LYS 47 53.518 56.231 48.146 384 HZ2 LYS 47 HZ2 LYS 47 53.066 55.605 46.709 385 HZ3 LYS 47 HZ3 LYS 47 54.625 55.974 46.998 386 H ILE 48 H ILE 48 51.758 60.848 44.569 387 HA ILE 48 HA ILE 48 53.016 59.524 42.204 388 HB ILE 48 HB ILE 48 53.021 62.280 43.338 389 HG12 ILE 48 HG12 ILE 48 51.463 61.391 41.425 390 HG13 ILE 48 HG13 ILE 48 52.265 62.932 41.206 391 HG21 ILE 48 HG21 ILE 48 55.234 61.233 41.591 392 HG22 ILE 48 HG22 ILE 48 54.699 62.943 41.660 393 HG23 ILE 48 HG23 ILE 48 55.355 62.167 43.103 394 HD11 ILE 48 HD11 ILE 48 53.877 61.990 39.659 395 HD12 ILE 48 HD12 ILE 48 53.354 60.336 40.029 396 HD13 ILE 48 HD13 ILE 48 52.283 61.456 39.152 397 HA PRO 49 HA PRO 49 56.316 58.267 45.114 398 HB2 PRO 49 HB2 PRO 49 57.548 56.544 43.405 399 HB3 PRO 49 HB3 PRO 49 55.992 56.117 44.206 400 HG2 PRO 49 HG2 PRO 49 56.373 57.149 41.390 401 HG3 PRO 49 HG3 PRO 49 55.391 55.758 41.993 402 HD2 PRO 49 HD2 PRO 49 54.495 58.323 41.483 403 HD3 PRO 49 HD3 PRO 49 53.694 57.244 42.679 404 H LYS 50 H LYS 50 58.715 58.462 44.854 405 HA LYS 50 HA LYS 50 59.947 59.671 42.597 406 HB2 LYS 50 HB2 LYS 50 59.518 61.375 45.077 407 HB3 LYS 50 HB3 LYS 50 60.955 61.555 44.072 408 HG2 LYS 50 HG2 LYS 50 59.105 61.665 42.114 409 HG3 LYS 50 HG3 LYS 50 58.107 62.239 43.463 410 HD2 LYS 50 HD2 LYS 50 59.778 64.014 43.943 411 HD3 LYS 50 HD3 LYS 50 60.735 63.485 42.545 412 HE2 LYS 50 HE2 LYS 50 58.695 63.794 41.116 413 HE3 LYS 50 HE3 LYS 50 57.892 64.567 42.490 414 HZ1 LYS 50 HZ1 LYS 50 58.962 66.304 41.208 415 HZ2 LYS 50 HZ2 LYS 50 59.867 66.081 42.542 416 HZ3 LYS 50 HZ3 LYS 50 60.367 65.458 41.168 417 H ASP 51 H ASP 51 61.530 58.530 42.475 418 HA ASP 51 HA ASP 51 63.084 57.098 44.267 419 HB2 ASP 51 HB2 ASP 51 63.130 57.019 41.750 420 HB3 ASP 51 HB3 ASP 51 63.916 58.621 41.757 421 H LYS 52 H LYS 52 65.339 57.430 44.936 422 HA LYS 52 HA LYS 52 65.865 59.686 46.522 423 HB2 LYS 52 HB2 LYS 52 68.097 58.739 46.695 424 HB3 LYS 52 HB3 LYS 52 66.873 57.463 46.767 425 HG2 LYS 52 HG2 LYS 52 68.171 56.394 45.302 426 HG3 LYS 52 HG3 LYS 52 67.401 57.429 44.089 427 HD2 LYS 52 HD2 LYS 52 69.302 59.038 44.274 428 HD3 LYS 52 HD3 LYS 52 70.001 58.026 45.559 429 HE2 LYS 52 HE2 LYS 52 70.327 56.201 44.021 430 HE3 LYS 52 HE3 LYS 52 69.353 57.014 42.762 431 HZ1 LYS 52 HZ1 LYS 52 71.943 57.926 43.769 432 HZ2 LYS 52 HZ2 LYS 52 71.628 57.363 42.252 433 HZ3 LYS 52 HZ3 LYS 52 70.994 58.771 42.770 434 H ASP 53 H ASP 53 66.582 59.183 43.068 435 HA ASP 53 HA ASP 53 67.955 61.750 42.980 436 HB2 ASP 53 HB2 ASP 53 68.603 59.745 41.504 437 HB3 ASP 53 HB3 ASP 53 67.170 60.108 40.550 438 H GLY 54 H GLY 54 64.704 60.762 42.844 439 HA2 GLY 54 HA2 GLY 54 63.014 62.326 43.255 440 HA3 GLY 54 HA3 GLY 54 63.909 63.567 42.399 441 H LYS 55 H LYS 55 62.657 60.245 41.551 442 HA LYS 55 HA LYS 55 61.071 61.501 39.371 443 HB2 LYS 55 HB2 LYS 55 63.293 60.881 38.616 444 HB3 LYS 55 HB3 LYS 55 62.987 59.171 39.060 445 HG2 LYS 55 HG2 LYS 55 62.485 59.094 36.804 446 HG3 LYS 55 HG3 LYS 55 60.894 59.475 37.428 447 HD2 LYS 55 HD2 LYS 55 61.165 61.044 35.726 448 HD3 LYS 55 HD3 LYS 55 61.559 61.988 37.150 449 HE2 LYS 55 HE2 LYS 55 63.998 61.583 36.804 450 HE3 LYS 55 HE3 LYS 55 63.658 60.684 35.361 451 HZ1 LYS 55 HZ1 LYS 55 64.063 62.921 34.714 452 HZ2 LYS 55 HZ2 LYS 55 62.420 62.951 34.720 453 HZ3 LYS 55 HZ3 LYS 55 63.299 63.531 35.972 454 HA PRO 56 HA PRO 56 57.995 58.645 40.886 455 HB2 PRO 56 HB2 PRO 56 56.179 58.842 38.805 456 HB3 PRO 56 HB3 PRO 56 56.422 60.052 40.120 457 HG2 PRO 56 HG2 PRO 56 57.482 60.043 37.315 458 HG3 PRO 56 HG3 PRO 56 56.769 61.399 38.242 459 HD2 PRO 56 HD2 PRO 56 59.493 61.168 38.111 460 HD3 PRO 56 HD3 PRO 56 58.695 61.647 39.624 461 H LYS 57 H LYS 57 60.185 57.705 38.710 462 HA LYS 57 HA LYS 57 60.772 55.652 37.863 463 HB2 LYS 57 HB2 LYS 57 58.620 54.614 39.729 464 HB3 LYS 57 HB3 LYS 57 59.884 53.632 39.031 465 HG2 LYS 57 HG2 LYS 57 60.985 54.060 40.967 466 HG3 LYS 57 HG3 LYS 57 61.363 55.637 40.266 467 HD2 LYS 57 HD2 LYS 57 59.526 56.706 41.362 468 HD3 LYS 57 HD3 LYS 57 58.757 55.195 41.797 469 HE2 LYS 57 HE2 LYS 57 61.413 56.259 42.797 470 HE3 LYS 57 HE3 LYS 57 59.838 56.311 43.658 471 HZ1 LYS 57 HZ1 LYS 57 59.944 53.819 43.485 472 HZ2 LYS 57 HZ2 LYS 57 61.577 53.981 43.205 473 HZ3 LYS 57 HZ3 LYS 57 60.856 54.497 44.584 474 H GLN 58 H GLN 58 58.417 57.237 36.552 475 HA GLN 58 HA GLN 58 56.972 57.144 35.029 476 HB2 GLN 58 HB2 GLN 58 58.617 54.774 34.189 477 HB3 GLN 58 HB3 GLN 58 57.158 55.264 33.294 478 HG2 GLN 58 HG2 GLN 58 58.207 57.630 33.260 479 HG3 GLN 58 HG3 GLN 58 59.671 56.881 33.913 480 HE21 GLN 58 HE21 GLN 58 57.517 57.116 31.124 481 HE22 GLN 58 HE22 GLN 58 58.695 56.392 30.013 482 H PHE 59 H PHE 59 56.043 56.368 37.428 483 HA PHE 59 HA PHE 59 53.576 54.986 36.815 484 HB2 PHE 59 HB2 PHE 59 53.868 52.984 37.699 485 HB3 PHE 59 HB3 PHE 59 55.543 53.334 37.467 486 HD1 PHE 59 HD1 PHE 59 52.919 53.191 40.261 487 HD2 PHE 59 HD2 PHE 59 57.022 53.651 39.108 488 HE1 PHE 59 HE1 PHE 59 53.622 53.025 42.647 489 HE2 PHE 59 HE2 PHE 59 57.738 53.179 41.484 490 HZ PHE 59 HZ PHE 59 56.009 52.821 43.225 491 H ALA 60 H ALA 60 52.139 54.959 38.634 492 HA ALA 60 HA ALA 60 52.470 56.563 40.999 493 HB1 ALA 60 HB1 ALA 60 50.808 58.285 40.346 494 HB2 ALA 60 HB2 ALA 60 52.234 58.338 39.302 495 HB3 ALA 60 HB3 ALA 60 50.729 57.600 38.704 496 H PHE 61 H PHE 61 50.116 56.915 41.935 497 HA PHE 61 HA PHE 61 48.279 54.649 41.371 498 HB2 PHE 61 HB2 PHE 61 49.985 55.180 43.765 499 HB3 PHE 61 HB3 PHE 61 48.363 54.689 44.132 500 HD1 PHE 61 HD2 PHE 61 51.524 53.649 42.509 501 HD2 PHE 61 HD1 PHE 61 47.564 52.441 43.649 502 HE1 PHE 61 HE2 PHE 61 52.311 51.293 42.733 503 HE2 PHE 61 HE1 PHE 61 48.336 50.095 43.868 504 HZ PHE 61 HZ PHE 61 50.747 49.551 43.575 505 H VAL 62 H VAL 62 46.160 54.833 42.152 506 HA VAL 62 HA VAL 62 45.217 57.499 43.152 507 HB VAL 62 HB VAL 62 44.375 56.025 40.655 508 HG11 VAL 62 HG11 VAL 62 42.333 56.959 41.673 509 HG12 VAL 62 HG12 VAL 62 43.086 58.570 41.730 510 HG13 VAL 62 HG13 VAL 62 42.762 57.789 40.173 511 HG21 VAL 62 HG21 VAL 62 46.378 57.562 40.329 512 HG22 VAL 62 HG22 VAL 62 44.953 57.998 39.387 513 HG23 VAL 62 HG23 VAL 62 45.364 58.916 40.847 514 H ASN 63 H ASN 63 43.966 57.185 44.846 515 HA ASN 63 HA ASN 63 42.761 54.652 45.479 516 HB2 ASN 63 HB2 ASN 63 43.660 56.436 47.104 517 HB3 ASN 63 HB3 ASN 63 42.166 57.314 46.848 518 HD21 ASN 63 HD22 ASN 63 43.669 54.536 48.344 519 HD22 ASN 63 HD21 ASN 63 42.266 54.055 49.279 520 H PHE 64 H PHE 64 40.710 53.896 45.213 521 HA PHE 64 HA PHE 64 38.659 55.539 43.859 522 HB2 PHE 64 HB2 PHE 64 38.914 54.709 41.821 523 HB3 PHE 64 HB3 PHE 64 40.578 54.650 42.305 524 HD1 PHE 64 HD1 PHE 64 41.287 52.139 43.394 525 HD2 PHE 64 HD2 PHE 64 38.124 53.055 40.611 526 HE1 PHE 64 HE1 PHE 64 41.463 49.857 42.396 527 HE2 PHE 64 HE2 PHE 64 38.173 50.752 39.767 528 HZ PHE 64 HZ PHE 64 39.798 49.108 40.713 529 H LYS 65 H LYS 65 36.601 54.743 43.874 530 HA LYS 65 HA LYS 65 35.999 52.915 46.083 531 HB2 LYS 65 HB2 LYS 65 33.820 54.018 46.137 532 HB3 LYS 65 HB3 LYS 65 35.112 55.176 46.087 533 HG2 LYS 65 HG2 LYS 65 33.494 56.077 44.726 534 HG3 LYS 65 HG3 LYS 65 34.687 55.448 43.592 535 HD2 LYS 65 HD2 LYS 65 32.370 55.121 42.867 536 HD3 LYS 65 HD3 LYS 65 33.236 53.597 43.012 537 HE2 LYS 65 HE2 LYS 65 32.062 53.327 45.300 538 HE3 LYS 65 HE3 LYS 65 31.145 54.789 44.894 539 HZ1 LYS 65 HZ1 LYS 65 29.982 52.772 44.197 540 HZ2 LYS 65 HZ2 LYS 65 30.365 53.706 42.914 541 HZ3 LYS 65 HZ3 LYS 65 31.196 52.365 43.226 542 H HIS 66 H HIS 66 36.371 52.081 42.965 543 HA HIS 66 HA HIS 66 34.000 50.351 42.884 544 HB2 HIS 66 HB2 HIS 66 34.984 51.471 40.885 545 HB3 HIS 66 HB3 HIS 66 36.299 50.303 40.901 546 HD2 HIS 66 HD2 HIS 66 34.991 50.051 38.358 547 HE1 HIS 66 HE1 HIS 66 31.765 47.722 39.829 548 HE2 HIS 66 HE2 HIS 66 32.974 48.490 37.758 549 H GLU 67 H GLU 67 33.809 48.214 43.091 550 HA GLU 67 HA GLU 67 35.840 46.984 44.870 551 HB2 GLU 67 HB2 GLU 67 32.844 46.430 44.871 552 HB3 GLU 67 HB3 GLU 67 34.083 45.656 45.858 553 HG2 GLU 67 HG2 GLU 67 34.751 47.896 46.715 554 HG3 GLU 67 HG3 GLU 67 33.351 48.601 45.879 555 H VAL 68 H VAL 68 35.086 46.850 41.733 556 HA VAL 68 HA VAL 68 35.867 44.047 41.446 557 HB VAL 68 HB VAL 68 33.213 44.755 40.923 558 HG11 VAL 68 HG11 VAL 68 32.788 44.566 38.581 559 HG12 VAL 68 HG12 VAL 68 33.958 45.881 38.812 560 HG13 VAL 68 HG13 VAL 68 34.477 44.305 38.177 561 HG21 VAL 68 HG21 VAL 68 33.913 42.612 41.548 562 HG22 VAL 68 HG22 VAL 68 33.207 42.397 39.949 563 HG23 VAL 68 HG23 VAL 68 34.981 42.431 40.146 564 H SER 69 H SER 69 36.446 43.599 39.095 565 HA SER 69 HA SER 69 38.819 45.201 38.846 566 HB2 SER 69 HB2 SER 69 38.057 42.689 37.352 567 HB3 SER 69 HB3 SER 69 39.689 43.272 37.716 568 HG SER 69 HG SER 69 38.812 41.699 39.081 569 H VAL 70 H VAL 70 36.480 46.600 37.703 570 HA VAL 70 HA VAL 70 37.299 46.724 34.823 571 HB VAL 70 HB VAL 70 35.096 47.157 34.125 572 HG11 VAL 70 HG11 VAL 70 35.269 44.632 35.866 573 HG12 VAL 70 HG12 VAL 70 34.170 44.870 34.514 574 HG13 VAL 70 HG13 VAL 70 35.912 44.845 34.216 575 HG21 VAL 70 HG21 VAL 70 34.379 47.070 37.045 576 HG22 VAL 70 HG22 VAL 70 33.836 48.184 35.754 577 HG23 VAL 70 HG23 VAL 70 33.191 46.552 35.811 578 HA PRO 71 HA PRO 71 37.929 50.814 37.135 579 HB2 PRO 71 HB2 PRO 71 40.509 51.282 36.602 580 HB3 PRO 71 HB3 PRO 71 39.927 50.139 37.857 581 HG2 PRO 71 HG2 PRO 71 40.908 49.442 35.084 582 HG3 PRO 71 HG3 PRO 71 41.357 48.724 36.666 583 HD2 PRO 71 HD2 PRO 71 39.424 47.575 35.113 584 HD3 PRO 71 HD3 PRO 71 39.313 47.613 36.893 585 H TYR 72 H TYR 72 37.050 52.504 36.213 586 HA TYR 72 HA TYR 72 36.261 52.534 33.646 587 HB2 TYR 72 HB2 TYR 72 35.592 53.970 35.757 588 HB3 TYR 72 HB3 TYR 72 36.669 55.153 35.068 589 HD1 TYR 72 HD1 TYR 72 36.154 56.076 32.786 590 HD2 TYR 72 HD2 TYR 72 33.414 53.453 34.830 591 HE1 TYR 72 HE1 TYR 72 34.270 56.997 31.468 592 HE2 TYR 72 HE2 TYR 72 31.599 54.132 33.281 593 HH TYR 72 HH TYR 72 32.059 56.565 30.847 594 H ALA 73 H ALA 73 39.293 53.995 34.781 595 HA ALA 73 HA ALA 73 39.860 55.569 32.419 596 HB1 ALA 73 HB1 ALA 73 41.372 54.726 34.908 597 HB2 ALA 73 HB2 ALA 73 42.050 55.801 33.645 598 HB3 ALA 73 HB3 ALA 73 40.584 56.265 34.560 599 H MET 74 H MET 74 40.416 52.211 33.185 600 HA MET 74 HA MET 74 42.638 51.686 31.406 601 HB2 MET 74 HB2 MET 74 41.839 50.431 33.429 602 HB3 MET 74 HB3 MET 74 40.520 49.795 32.428 603 HG2 MET 74 HG2 MET 74 42.335 48.895 30.891 604 HG3 MET 74 HG3 MET 74 43.534 49.557 32.031 605 HE1 MET 74 HE1 MET 74 43.878 45.783 32.594 606 HE2 MET 74 HE2 MET 74 43.316 46.501 31.068 607 HE3 MET 74 HE3 MET 74 44.591 47.320 32.015 608 H ASN 75 H ASN 75 39.216 52.286 30.964 609 HA ASN 75 HA ASN 75 39.313 51.605 28.039 610 HB2 ASN 75 HB2 ASN 75 37.492 50.574 29.138 611 HB3 ASN 75 HB3 ASN 75 36.988 52.066 29.928 612 HD21 ASN 75 HD22 ASN 75 35.587 53.533 28.572 613 HD22 ASN 75 HD21 ASN 75 35.137 53.071 26.940 614 H LEU 76 H LEU 76 38.884 54.313 30.287 615 HA LEU 76 HA LEU 76 38.064 56.109 28.208 616 HB2 LEU 76 HB2 LEU 76 37.536 55.914 30.790 617 HB3 LEU 76 HB3 LEU 76 39.037 56.793 30.990 618 HG LEU 76 HG LEU 76 36.730 57.930 31.112 619 HD11 LEU 76 HD11 LEU 76 38.791 59.251 29.366 620 HD12 LEU 76 HD12 LEU 76 37.522 59.989 30.392 621 HD13 LEU 76 HD13 LEU 76 38.864 59.084 31.152 622 HD21 LEU 76 HD21 LEU 76 36.104 57.058 28.643 623 HD22 LEU 76 HD22 LEU 76 35.534 58.592 29.334 624 HD23 LEU 76 HD23 LEU 76 36.893 58.584 28.205 625 H LEU 77 H LEU 77 41.177 55.570 29.858 626 HA LEU 77 HA LEU 77 42.390 57.733 28.203 627 HB2 LEU 77 HB2 LEU 77 43.392 56.830 30.896 628 HB3 LEU 77 HB3 LEU 77 44.079 58.055 29.802 629 HG LEU 77 HG LEU 77 43.216 59.276 31.487 630 HD11 LEU 77 HD11 LEU 77 41.139 59.392 29.297 631 HD12 LEU 77 HD12 LEU 77 41.041 60.370 30.779 632 HD13 LEU 77 HD13 LEU 77 42.437 60.513 29.720 633 HD21 LEU 77 HD21 LEU 77 41.050 57.250 31.700 634 HD22 LEU 77 HD22 LEU 77 42.189 57.914 32.906 635 HD23 LEU 77 HD23 LEU 77 40.823 58.879 32.414 636 H ASN 78 H ASN 78 43.919 55.129 30.078 637 HA ASN 78 HA ASN 78 45.914 53.953 29.388 638 HB2 ASN 78 HB2 ASN 78 43.943 52.706 30.128 639 HB3 ASN 78 HB3 ASN 78 43.392 52.482 28.472 640 HD21 ASN 78 HD22 ASN 78 45.444 51.383 27.135 641 HD22 ASN 78 HD21 ASN 78 46.098 49.990 27.973 642 H GLY 79 H GLY 79 46.683 55.717 27.872 643 HA2 GLY 79 HA2 GLY 79 47.914 55.001 25.602 644 HA3 GLY 79 HA3 GLY 79 46.256 55.004 25.035 645 H ILE 80 H ILE 80 47.211 57.667 27.272 646 HA ILE 80 HA ILE 80 46.961 59.587 25.009 647 HB ILE 80 HB ILE 80 45.174 60.850 26.038 648 HG12 ILE 80 HG12 ILE 80 44.082 59.465 28.126 649 HG13 ILE 80 HG13 ILE 80 45.824 59.296 28.425 650 HG21 ILE 80 HG21 ILE 80 44.352 57.948 26.040 651 HG22 ILE 80 HG22 ILE 80 43.294 59.370 25.910 652 HG23 ILE 80 HG23 ILE 80 44.457 59.042 24.624 653 HD11 ILE 80 HD11 ILE 80 44.546 62.015 27.836 654 HD12 ILE 80 HD12 ILE 80 44.580 61.352 29.460 655 HD13 ILE 80 HD13 ILE 80 46.104 61.684 28.617 656 H LYS 81 H LYS 81 47.899 61.667 25.487 657 HA LYS 81 HA LYS 81 48.720 62.309 28.178 658 HB2 LYS 81 HB2 LYS 81 51.238 62.469 27.253 659 HB3 LYS 81 HB3 LYS 81 50.567 60.978 27.894 660 HG2 LYS 81 HG2 LYS 81 51.782 60.464 25.897 661 HG3 LYS 81 HG3 LYS 81 50.095 60.187 25.570 662 HD2 LYS 81 HD2 LYS 81 49.890 62.288 24.304 663 HD3 LYS 81 HD3 LYS 81 51.501 62.786 24.846 664 HE2 LYS 81 HE2 LYS 81 52.330 60.594 23.754 665 HE3 LYS 81 HE3 LYS 81 50.702 60.340 23.188 666 HZ1 LYS 81 HZ1 LYS 81 52.101 61.398 21.468 667 HZ2 LYS 81 HZ2 LYS 81 50.855 62.354 21.827 668 HZ3 LYS 81 HZ3 LYS 81 52.335 62.688 22.411 669 H LEU 82 H LEU 82 49.858 64.211 28.470 670 HA LEU 82 HA LEU 82 49.117 66.353 26.497 671 HB2 LEU 82 HB2 LEU 82 49.297 66.860 29.470 672 HB3 LEU 82 HB3 LEU 82 48.735 67.913 28.192 673 HG LEU 82 HG LEU 82 46.787 66.339 27.791 674 HD11 LEU 82 HD11 LEU 82 48.147 64.906 30.001 675 HD12 LEU 82 HD12 LEU 82 46.379 65.070 30.166 676 HD13 LEU 82 HD13 LEU 82 47.053 64.321 28.716 677 HD21 LEU 82 HD21 LEU 82 46.377 68.395 29.025 678 HD22 LEU 82 HD22 LEU 82 45.534 67.089 29.832 679 HD23 LEU 82 HD23 LEU 82 47.065 67.699 30.511 680 H TYR 83 H TYR 83 51.594 64.670 27.270 681 HA TYR 83 HA TYR 83 53.730 66.748 27.274 682 HB2 TYR 83 HB2 TYR 83 53.655 64.290 29.037 683 HB3 TYR 83 HB3 TYR 83 55.064 65.366 28.832 684 HD1 TYR 83 HD1 TYR 83 52.998 67.884 28.999 685 HD2 TYR 83 HD2 TYR 83 53.988 64.452 31.428 686 HE1 TYR 83 HE1 TYR 83 51.769 68.864 30.903 687 HE2 TYR 83 HE2 TYR 83 52.980 65.572 33.416 688 HH TYR 83 HH TYR 83 51.202 68.618 32.968 689 H GLY 84 H GLY 84 54.029 63.199 27.495 690 HA2 GLY 84 HA2 GLY 84 54.580 62.826 24.567 691 HA3 GLY 84 HA3 GLY 84 55.935 62.706 25.704 692 H ARG 85 H ARG 85 54.852 61.370 27.815 693 HA ARG 85 HA ARG 85 54.655 58.669 26.613 694 HB2 ARG 85 HB2 ARG 85 55.446 59.661 29.357 695 HB3 ARG 85 HB3 ARG 85 55.154 57.969 28.985 696 HG2 ARG 85 HG2 ARG 85 57.390 57.978 28.680 697 HG3 ARG 85 HG3 ARG 85 56.962 58.427 27.026 698 HD2 ARG 85 HD2 ARG 85 57.291 60.849 27.682 699 HD3 ARG 85 HD3 ARG 85 57.781 60.278 29.284 700 HE ARG 85 HE ARG 85 59.393 60.337 26.838 701 HH11 ARG 85 HH11 ARG 85 58.997 58.990 30.044 702 HH12 ARG 85 HH12 ARG 85 60.733 58.757 30.225 703 HH21 ARG 85 HH21 ARG 85 61.515 59.761 27.058 704 HH22 ARG 85 HH22 ARG 85 62.179 59.253 28.541 705 HA PRO 86 HA PRO 86 50.288 58.934 27.459 706 HB2 PRO 86 HB2 PRO 86 49.579 56.450 26.444 707 HB3 PRO 86 HB3 PRO 86 49.941 57.897 25.436 708 HG2 PRO 86 HG2 PRO 86 51.786 55.610 26.182 709 HG3 PRO 86 HG3 PRO 86 51.549 56.368 24.566 710 HD2 PRO 86 HD2 PRO 86 53.618 57.103 26.033 711 HD3 PRO 86 HD3 PRO 86 52.604 58.357 25.234 712 H ILE 87 H ILE 87 49.128 58.606 29.266 713 HA ILE 87 HA ILE 87 50.035 56.982 31.413 714 HB ILE 87 HB ILE 87 47.422 58.350 30.754 715 HG12 ILE 87 HG12 ILE 87 49.130 59.884 31.523 716 HG13 ILE 87 HG13 ILE 87 47.959 59.659 32.831 717 HG21 ILE 87 HG21 ILE 87 46.590 56.500 31.885 718 HG22 ILE 87 HG22 ILE 87 47.911 56.507 33.078 719 HG23 ILE 87 HG23 ILE 87 46.648 57.786 33.088 720 HD11 ILE 87 HD11 ILE 87 49.534 58.135 33.969 721 HD12 ILE 87 HD12 ILE 87 50.745 58.499 32.692 722 HD13 ILE 87 HD13 ILE 87 50.139 59.788 33.736 723 H LYS 88 H LYS 88 49.988 54.907 31.748 724 HA LYS 88 HA LYS 88 48.047 53.125 30.368 725 HB2 LYS 88 HB2 LYS 88 50.390 52.725 29.838 726 HB3 LYS 88 HB3 LYS 88 50.807 52.543 31.552 727 HG2 LYS 88 HG2 LYS 88 50.667 50.394 30.444 728 HG3 LYS 88 HG3 LYS 88 49.510 50.539 31.769 729 HD2 LYS 88 HD2 LYS 88 47.679 50.930 30.238 730 HD3 LYS 88 HD3 LYS 88 48.772 51.025 28.852 731 HE2 LYS 88 HE2 LYS 88 48.540 48.551 30.630 732 HE3 LYS 88 HE3 LYS 88 47.538 48.814 29.181 733 HZ1 LYS 88 HZ1 LYS 88 49.109 47.916 28.079 734 HZ2 LYS 88 HZ2 LYS 88 50.048 49.207 28.287 735 HZ3 LYS 88 HZ3 LYS 88 50.182 47.868 29.267 736 H ILE 89 H ILE 89 46.384 52.476 31.669 737 HA ILE 89 HA ILE 89 46.719 52.479 34.621 738 HB ILE 89 HB ILE 89 44.334 52.112 32.804 739 HG12 ILE 89 HG12 ILE 89 43.764 54.291 34.357 740 HG13 ILE 89 HG13 ILE 89 45.514 54.431 34.356 741 HG21 ILE 89 HG21 ILE 89 44.426 52.164 35.829 742 HG22 ILE 89 HG22 ILE 89 42.938 52.115 34.823 743 HG23 ILE 89 HG23 ILE 89 44.026 50.747 34.834 744 HD11 ILE 89 HD11 ILE 89 43.916 54.061 31.799 745 HD12 ILE 89 HD12 ILE 89 44.258 55.661 32.483 746 HD13 ILE 89 HD13 ILE 89 45.596 54.612 31.953 747 H GLN 90 H GLN 90 46.670 50.566 35.861 748 HA GLN 90 HA GLN 90 46.028 47.992 34.562 749 HB2 GLN 90 HB2 GLN 90 48.523 48.501 36.232 750 HB3 GLN 90 HB3 GLN 90 47.912 46.906 35.847 751 HG2 GLN 90 HG2 GLN 90 48.590 48.929 33.708 752 HG3 GLN 90 HG3 GLN 90 49.797 47.845 34.423 753 HE21 GLN 90 HE22 GLN 90 46.964 48.069 32.360 754 HE22 GLN 90 HE21 GLN 90 47.083 46.452 31.656 755 H PHE 91 H PHE 91 45.728 46.335 36.209 756 HA PHE 91 HA PHE 91 44.804 47.279 38.839 757 HB2 PHE 91 HB2 PHE 91 42.868 45.890 38.816 758 HB3 PHE 91 HB3 PHE 91 42.781 47.121 37.581 759 HD1 PHE 91 HD2 PHE 91 42.847 43.481 38.255 760 HD2 PHE 91 HD1 PHE 91 42.734 46.498 35.197 761 HE1 PHE 91 HE2 PHE 91 41.927 41.823 36.658 762 HE2 PHE 91 HE1 PHE 91 41.771 44.820 33.596 763 HZ PHE 91 HZ PHE 91 41.353 42.499 34.343 764 H ARG 92 H ARG 92 44.595 45.741 40.457 765 HA ARG 92 HA ARG 92 46.478 43.439 40.324 766 HB2 ARG 92 HB2 ARG 92 46.063 45.418 42.593 767 HB3 ARG 92 HB3 ARG 92 47.213 44.088 42.561 768 HG2 ARG 92 HG2 ARG 92 47.349 46.621 40.866 769 HG3 ARG 92 HG3 ARG 92 48.315 46.208 42.286 770 HD2 ARG 92 HD2 ARG 92 49.343 44.339 41.068 771 HD3 ARG 92 HD3 ARG 92 48.265 44.649 39.680 772 HE ARG 92 HE ARG 92 50.301 46.655 40.634 773 HH11 ARG 92 HH11 ARG 92 49.116 44.587 38.005 774 HH12 ARG 92 HH12 ARG 92 50.275 45.231 36.886 775 HH21 ARG 92 HH21 ARG 92 51.781 47.431 38.938 776 HH22 ARG 92 HH22 ARG 92 51.570 46.669 37.380 777 H SER 93 H SER 93 43.305 43.526 40.258 778 HA SER 93 HA SER 93 42.644 42.184 42.738 779 HB2 SER 93 HB2 SER 93 40.968 41.878 40.262 780 HB3 SER 93 HB3 SER 93 40.509 42.029 41.969 781 HG SER 93 HG SER 93 40.185 43.963 41.361 782 H GLY 94 H GLY 94 42.778 39.965 43.194 783 HA2 GLY 94 HA2 GLY 94 43.442 37.736 42.921 784 HA3 GLY 94 HA3 GLY 94 43.260 37.930 41.200 785 H SER 95 H SER 95 45.072 37.156 40.374 786 HA SER 95 HA SER 95 47.787 37.844 41.484 787 HB2 SER 95 HB2 SER 95 46.697 35.144 40.669 788 HB3 SER 95 HB3 SER 95 48.375 35.507 41.112 789 HG SER 95 HG SER 95 47.643 35.210 43.088 790 H SER 96 H SER 96 49.212 38.556 39.910 791 HA SER 96 HA SER 96 48.608 38.550 37.065 792 HB2 SER 96 HB2 SER 96 51.381 38.827 38.266 793 HB3 SER 96 HB3 SER 96 50.823 39.403 36.689 794 HG SER 96 HG SER 96 50.205 40.384 39.161 795 H HIS 97 H HIS 97 50.302 36.290 39.148 796 HA HIS 97 HA HIS 97 51.172 34.573 36.847 797 HB2 HIS 97 HB2 HIS 97 52.487 35.141 39.502 798 HB3 HIS 97 HB3 HIS 97 53.056 33.919 38.349 799 HD2 HIS 97 HD2 HIS 97 54.432 34.871 36.184 800 HE1 HIS 97 HE1 HIS 97 54.001 39.025 37.027 801 HE2 HIS 97 HE2 HIS 97 55.066 37.343 35.483 802 H ALA 98 H ALA 98 51.271 32.166 37.447 803 HA ALA 98 HA ALA 98 48.991 31.513 39.252 804 HB1 ALA 98 HB1 ALA 98 50.002 30.237 36.676 805 HB2 ALA 98 HB2 ALA 98 48.803 29.479 37.727 806 HB3 ALA 98 HB3 ALA 98 48.420 31.017 36.935 807 HA PRO 99 HA PRO 99 51.793 28.760 41.520 808 HB2 PRO 99 HB2 PRO 99 50.142 26.760 42.263 809 HB3 PRO 99 HB3 PRO 99 50.066 28.399 42.992 810 HG2 PRO 99 HG2 PRO 99 48.366 27.301 40.726 811 HG3 PRO 99 HG3 PRO 99 47.797 28.099 42.230 812 HD2 PRO 99 HD2 PRO 99 48.065 29.496 39.942 813 HD3 PRO 99 HD3 PRO 99 48.545 30.218 41.492 814 H GLN 100 H GLN 100 52.839 26.690 41.173 815 HA GLN 100 HA GLN 100 52.677 25.568 38.468 816 HB2 GLN 100 HB2 GLN 100 54.795 26.405 39.230 817 HB3 GLN 100 HB3 GLN 100 54.706 25.548 40.737 818 HG2 GLN 100 HG2 GLN 100 56.271 24.400 39.330 819 HG3 GLN 100 HG3 GLN 100 54.878 23.398 39.657 820 HE21 GLN 100 HE22 GLN 100 54.856 22.033 37.923 821 HE22 GLN 100 HE21 GLN 100 54.656 22.628 36.278 822 H ASP 101 H ASP 101 52.092 24.615 41.769 823 HA ASP 101 HA ASP 101 50.762 22.063 40.988 824 HB2 ASP 101 HB2 ASP 101 52.690 21.531 42.366 825 HB3 ASP 101 HB3 ASP 101 52.228 22.674 43.599 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 24.030 17.585 37.637 2 H2 GLY 1 H2 GLY 1 25.316 18.382 38.228 3 H3 GLY 1 H3 GLY 1 25.516 17.437 36.924 4 HA2 GLY 1 HA2 GLY 1 23.709 19.761 36.885 5 HA3 GLY 1 HA3 GLY 1 25.430 19.864 36.470 6 H SER 2 H SER 2 23.289 20.395 34.654 7 HA SER 2 HA SER 2 24.082 18.497 32.472 8 HB2 SER 2 HB2 SER 2 21.334 19.805 32.648 9 HB3 SER 2 HB3 SER 2 21.907 18.728 31.399 10 HG SER 2 HG SER 2 20.701 17.774 33.108 11 H GLU 3 H GLU 3 24.157 21.655 33.611 12 HA GLU 3 HA GLU 3 23.347 23.055 31.201 13 HB2 GLU 3 HB2 GLU 3 24.319 24.133 33.858 14 HB3 GLU 3 HB3 GLU 3 23.531 25.012 32.557 15 HG2 GLU 3 HG2 GLU 3 21.631 24.585 33.805 16 HG3 GLU 3 HG3 GLU 3 21.620 23.136 32.843 17 H PHE 4 H PHE 4 24.571 23.708 29.594 18 HA PHE 4 HA PHE 4 27.532 23.524 29.886 19 HB2 PHE 4 HB2 PHE 4 26.272 21.857 28.432 20 HB3 PHE 4 HB3 PHE 4 25.789 23.195 27.420 21 HD1 PHE 4 HD2 PHE 4 28.775 21.319 28.710 22 HD2 PHE 4 HD1 PHE 4 27.268 24.069 25.756 23 HE1 PHE 4 HE2 PHE 4 30.885 21.104 27.425 24 HE2 PHE 4 HE1 PHE 4 29.439 23.923 24.533 25 HZ PHE 4 HZ PHE 4 31.222 22.431 25.350 26 H GLU 5 H GLU 5 24.962 25.674 28.900 27 HA GLU 5 HA GLU 5 26.737 27.419 27.251 28 HB2 GLU 5 HB2 GLU 5 23.762 26.951 27.563 29 HB3 GLU 5 HB3 GLU 5 24.363 28.243 26.544 30 HG2 GLU 5 HG2 GLU 5 25.526 26.669 25.081 31 HG3 GLU 5 HG3 GLU 5 25.161 25.326 26.164 32 H LEU 6 H LEU 6 25.459 27.473 30.376 33 HA LEU 6 HA LEU 6 25.036 30.332 30.499 34 HB2 LEU 6 HB2 LEU 6 25.643 28.254 32.641 35 HB3 LEU 6 HB3 LEU 6 25.169 29.913 32.977 36 HG LEU 6 HG LEU 6 23.548 27.718 31.594 37 HD11 LEU 6 HD11 LEU 6 22.104 27.774 33.554 38 HD12 LEU 6 HD12 LEU 6 23.775 27.633 34.109 39 HD13 LEU 6 HD13 LEU 6 22.934 29.203 34.177 40 HD21 LEU 6 HD21 LEU 6 22.718 30.597 32.016 41 HD22 LEU 6 HD22 LEU 6 22.785 29.646 30.499 42 HD23 LEU 6 HD23 LEU 6 21.584 29.259 31.744 43 H ARG 7 H ARG 7 26.401 31.816 31.746 44 HA ARG 7 HA ARG 7 29.281 31.505 31.072 45 HB2 ARG 7 HB2 ARG 7 27.591 34.036 31.040 46 HB3 ARG 7 HB3 ARG 7 29.276 33.819 30.518 47 HG2 ARG 7 HG2 ARG 7 28.306 33.729 28.449 48 HG3 ARG 7 HG3 ARG 7 28.089 32.045 28.877 49 HD2 ARG 7 HD2 ARG 7 26.109 32.923 27.866 50 HD3 ARG 7 HD3 ARG 7 25.791 32.390 29.522 51 HE ARG 7 HE ARG 7 26.128 35.231 29.608 52 HH11 ARG 7 HH11 ARG 7 24.051 32.860 28.118 53 HH12 ARG 7 HH12 ARG 7 22.647 33.908 28.199 54 HH21 ARG 7 HH21 ARG 7 24.259 36.509 29.681 55 HH22 ARG 7 HH22 ARG 7 22.795 35.897 28.937 56 H ARG 8 H ARG 8 30.781 32.291 32.447 57 HA ARG 8 HA ARG 8 30.199 33.968 34.757 58 HB2 ARG 8 HB2 ARG 8 31.152 32.434 36.428 59 HB3 ARG 8 HB3 ARG 8 29.766 31.694 35.677 60 HG2 ARG 8 HG2 ARG 8 31.112 30.222 34.335 61 HG3 ARG 8 HG3 ARG 8 32.614 31.100 34.715 62 HD2 ARG 8 HD2 ARG 8 32.355 30.501 37.081 63 HD3 ARG 8 HD3 ARG 8 30.862 29.633 36.695 64 HE ARG 8 HE ARG 8 32.269 28.041 35.281 65 HH11 ARG 8 HH11 ARG 8 33.966 29.922 37.745 66 HH12 ARG 8 HH12 ARG 8 35.039 28.594 38.070 67 HH21 ARG 8 HH21 ARG 8 33.399 26.318 36.099 68 HH22 ARG 8 HH22 ARG 8 34.511 26.586 37.437 69 H GLN 9 H GLN 9 32.084 34.724 35.810 70 HA GLN 9 HA GLN 9 34.211 35.512 34.079 71 HB2 GLN 9 HB2 GLN 9 33.977 35.407 37.111 72 HB3 GLN 9 HB3 GLN 9 35.389 36.058 36.295 73 HG2 GLN 9 HG2 GLN 9 33.965 37.731 35.110 74 HG3 GLN 9 HG3 GLN 9 32.562 37.164 36.011 75 HE21 GLN 9 HE22 GLN 9 32.703 37.316 38.460 76 HE22 GLN 9 HE21 GLN 9 33.719 38.572 39.157 77 H GLN 10 H GLN 10 36.511 35.095 34.384 78 HA GLN 10 HA GLN 10 37.391 32.408 34.212 79 HB2 GLN 10 HB2 GLN 10 39.616 33.320 34.449 80 HB3 GLN 10 HB3 GLN 10 38.667 34.393 33.414 81 HG2 GLN 10 HG2 GLN 10 38.581 36.119 34.965 82 HG3 GLN 10 HG3 GLN 10 39.042 35.132 36.349 83 HE21 GLN 10 HE22 GLN 10 40.471 36.018 33.133 84 HE22 GLN 10 HE21 GLN 10 42.081 36.233 33.826 85 H ALA 11 H ALA 11 37.071 34.537 36.990 86 HA ALA 11 HA ALA 11 36.901 32.358 38.840 87 HB1 ALA 11 HB1 ALA 11 38.917 32.907 40.126 88 HB2 ALA 11 HB2 ALA 11 39.365 32.503 38.458 89 HB3 ALA 11 HB3 ALA 11 39.341 34.200 38.967 90 H LEU 12 H LEU 12 36.576 33.216 41.032 91 HA LEU 12 HA LEU 12 34.928 35.541 41.112 92 HB2 LEU 12 HB2 LEU 12 34.669 34.997 43.484 93 HB3 LEU 12 HB3 LEU 12 34.516 33.614 42.435 94 HG LEU 12 HG LEU 12 36.619 32.682 43.105 95 HD11 LEU 12 HD11 LEU 12 36.946 35.238 44.756 96 HD12 LEU 12 HD12 LEU 12 37.927 33.795 45.026 97 HD13 LEU 12 HD13 LEU 12 38.049 34.650 43.490 98 HD21 LEU 12 HD21 LEU 12 35.215 33.608 45.615 99 HD22 LEU 12 HD22 LEU 12 34.597 32.334 44.530 100 HD23 LEU 12 HD23 LEU 12 36.148 32.118 45.350 101 H ALA 13 H ALA 13 35.201 37.455 42.440 102 HA ALA 13 HA ALA 13 37.939 38.396 42.891 103 HB1 ALA 13 HB1 ALA 13 37.534 40.319 41.394 104 HB2 ALA 13 HB2 ALA 13 37.385 38.764 40.524 105 HB3 ALA 13 HB3 ALA 13 35.924 39.668 41.000 106 H GLU 14 H GLU 14 37.829 40.791 43.626 107 HA GLU 14 HA GLU 14 35.854 40.934 45.831 108 HB2 GLU 14 HB2 GLU 14 37.999 39.383 46.114 109 HB3 GLU 14 HB3 GLU 14 38.826 40.898 46.432 110 HG2 GLU 14 HG2 GLU 14 37.246 41.377 48.273 111 HG3 GLU 14 HG3 GLU 14 36.269 39.971 47.829 112 H ALA 15 H ALA 15 36.961 42.928 47.401 113 HA ALA 15 HA ALA 15 36.690 45.195 45.657 114 HB1 ALA 15 HB1 ALA 15 35.591 45.351 47.698 115 HB2 ALA 15 HB2 ALA 15 37.028 44.814 48.629 116 HB3 ALA 15 HB3 ALA 15 37.001 46.418 47.869 117 H ASP 16 H ASP 16 38.073 46.871 45.341 118 HA ASP 16 HA ASP 16 40.637 47.198 46.596 119 HB2 ASP 16 HB2 ASP 16 41.108 45.773 44.402 120 HB3 ASP 16 HB3 ASP 16 40.622 47.225 43.543 121 H ARG 17 H ARG 17 40.767 49.352 47.079 122 HA ARG 17 HA ARG 17 38.966 51.302 45.761 123 HB2 ARG 17 HB2 ARG 17 40.826 51.492 48.188 124 HB3 ARG 17 HB3 ARG 17 40.045 52.888 47.512 125 HG2 ARG 17 HG2 ARG 17 38.490 50.643 48.798 126 HG3 ARG 17 HG3 ARG 17 38.938 52.210 49.480 127 HD2 ARG 17 HD2 ARG 17 37.735 53.405 47.703 128 HD3 ARG 17 HD3 ARG 17 37.288 51.890 46.944 129 HE ARG 17 HE ARG 17 35.989 51.396 49.160 130 HH11 ARG 17 HH11 ARG 17 36.518 54.738 48.141 131 HH12 ARG 17 HH12 ARG 17 34.894 55.151 48.714 132 HH21 ARG 17 HH21 ARG 17 33.956 52.045 49.478 133 HH22 ARG 17 HH22 ARG 17 33.481 53.747 49.329 134 H THR 18 H THR 18 42.133 50.292 45.163 135 HA THR 18 HA THR 18 43.002 53.032 44.376 136 HB THR 18 HB THR 18 44.967 51.053 45.479 137 HG1 THR 18 HG1 THR 18 43.602 51.358 47.207 138 HG21 THR 18 HG21 THR 18 45.506 53.334 44.263 139 HG22 THR 18 HG22 THR 18 44.849 54.073 45.734 140 HG23 THR 18 HG23 THR 18 46.286 53.028 45.827 141 H LEU 19 H LEU 19 43.817 53.200 42.376 142 HA LEU 19 HA LEU 19 43.779 50.857 40.594 143 HB2 LEU 19 HB2 LEU 19 42.337 52.883 40.351 144 HB3 LEU 19 HB3 LEU 19 43.798 53.873 40.186 145 HG LEU 19 HG LEU 19 44.304 52.819 38.034 146 HD11 LEU 19 HD11 LEU 19 43.305 50.577 38.350 147 HD12 LEU 19 HD12 LEU 19 41.713 51.313 38.617 148 HD13 LEU 19 HD13 LEU 19 42.485 51.374 37.007 149 HD21 LEU 19 HD21 LEU 19 42.293 53.777 36.847 150 HD22 LEU 19 HD22 LEU 19 41.442 53.836 38.415 151 HD23 LEU 19 HD23 LEU 19 42.852 54.844 38.156 152 H PHE 20 H PHE 20 45.613 50.218 39.302 153 HA PHE 20 HA PHE 20 48.128 51.549 40.040 154 HB2 PHE 20 HB2 PHE 20 47.847 49.047 39.984 155 HB3 PHE 20 HB3 PHE 20 47.893 49.162 38.221 156 HD1 PHE 20 HD1 PHE 20 50.111 50.145 37.135 157 HD2 PHE 20 HD2 PHE 20 49.721 49.186 41.318 158 HE1 PHE 20 HE1 PHE 20 52.576 50.330 37.429 159 HE2 PHE 20 HE2 PHE 20 52.155 49.507 41.623 160 HZ PHE 20 HZ PHE 20 53.575 50.175 39.660 161 H VAL 21 H VAL 21 49.359 52.776 38.711 162 HA VAL 21 HA VAL 21 48.580 53.035 35.847 163 HB VAL 21 HB VAL 21 49.236 55.383 37.664 164 HG11 VAL 21 HG11 VAL 21 47.786 55.110 34.996 165 HG12 VAL 21 HG12 VAL 21 48.330 56.637 35.755 166 HG13 VAL 21 HG13 VAL 21 49.503 55.493 35.066 167 HG21 VAL 21 HG21 VAL 21 47.027 54.529 38.473 168 HG22 VAL 21 HG22 VAL 21 46.835 56.003 37.545 169 HG23 VAL 21 HG23 VAL 21 46.462 54.430 36.803 170 H GLY 22 H GLY 22 50.301 52.874 34.500 171 HA2 GLY 22 HA2 GLY 22 53.073 53.478 35.448 172 HA3 GLY 22 HA3 GLY 22 52.775 52.026 34.572 173 H ASN 23 H ASN 23 54.475 53.466 33.289 174 HA ASN 23 HA ASN 23 55.039 54.357 31.340 175 HB2 ASN 23 HB2 ASN 23 52.776 53.111 30.629 176 HB3 ASN 23 HB3 ASN 23 52.224 54.760 30.396 177 HD21 ASN 23 HD21 ASN 23 52.145 54.738 28.217 178 HD22 ASN 23 HD22 ASN 23 53.529 54.477 27.140 179 H LEU 24 H LEU 24 53.956 55.927 33.695 180 HA LEU 24 HA LEU 24 53.112 58.520 32.909 181 HB2 LEU 24 HB2 LEU 24 54.971 57.799 35.251 182 HB3 LEU 24 HB3 LEU 24 54.220 59.313 35.014 183 HG LEU 24 HG LEU 24 53.350 57.626 36.782 184 HD11 LEU 24 HD11 LEU 24 51.645 59.282 34.947 185 HD12 LEU 24 HD12 LEU 24 50.888 58.347 36.254 186 HD13 LEU 24 HD13 LEU 24 52.094 59.561 36.669 187 HD21 LEU 24 HD21 LEU 24 52.958 55.736 35.147 188 HD22 LEU 24 HD22 LEU 24 51.584 56.187 36.202 189 HD23 LEU 24 HD23 LEU 24 51.625 56.690 34.482 190 H GLU 25 H GLU 25 54.114 60.362 32.374 191 HA GLU 25 HA GLU 25 56.534 60.483 31.258 192 HB2 GLU 25 HB2 GLU 25 54.666 62.560 32.534 193 HB3 GLU 25 HB3 GLU 25 56.249 63.097 32.110 194 HG2 GLU 25 HG2 GLU 25 55.317 63.553 30.211 195 HG3 GLU 25 HG3 GLU 25 55.713 61.914 29.783 196 H THR 26 H THR 26 58.290 62.005 31.634 197 HA THR 26 HA THR 26 59.941 61.167 33.898 198 HB THR 26 HB THR 26 61.708 62.362 32.788 199 HG1 THR 26 HG1 THR 26 61.304 63.624 31.114 200 HG21 THR 26 HG21 THR 26 59.918 61.144 30.606 201 HG22 THR 26 HG22 THR 26 61.652 61.391 30.475 202 HG23 THR 26 HG23 THR 26 61.010 60.209 31.643 203 H LYS 27 H LYS 27 57.850 63.671 32.901 204 HA LYS 27 HA LYS 27 58.363 65.487 35.200 205 HB2 LYS 27 HB2 LYS 27 57.691 65.953 32.278 206 HB3 LYS 27 HB3 LYS 27 57.585 67.251 33.443 207 HG2 LYS 27 HG2 LYS 27 60.217 65.720 33.250 208 HG3 LYS 27 HG3 LYS 27 59.799 66.822 31.976 209 HD2 LYS 27 HD2 LYS 27 61.236 67.680 33.934 210 HD3 LYS 27 HD3 LYS 27 59.919 68.690 33.286 211 HE2 LYS 27 HE2 LYS 27 58.436 67.961 35.075 212 HE3 LYS 27 HE3 LYS 27 59.752 67.004 35.824 213 HZ1 LYS 27 HZ1 LYS 27 59.215 69.269 36.732 214 HZ2 LYS 27 HZ2 LYS 27 60.780 69.009 36.452 215 HZ3 LYS 27 HZ3 LYS 27 59.917 69.902 35.403 216 H VAL 28 H VAL 28 56.334 63.123 34.891 217 HA VAL 28 HA VAL 28 53.703 64.312 34.945 218 HB VAL 28 HB VAL 28 54.254 61.848 34.599 219 HG11 VAL 28 HG11 VAL 28 54.088 60.474 36.785 220 HG12 VAL 28 HG12 VAL 28 55.647 61.206 36.376 221 HG13 VAL 28 HG13 VAL 28 54.581 61.938 37.618 222 HG21 VAL 28 HG21 VAL 28 52.116 61.826 36.624 223 HG22 VAL 28 HG22 VAL 28 51.948 63.070 35.377 224 HG23 VAL 28 HG23 VAL 28 52.177 61.383 34.896 225 H THR 29 H THR 29 52.262 64.319 36.855 226 HA THR 29 HA THR 29 53.338 64.467 39.496 227 HB THR 29 HB THR 29 52.466 66.740 40.062 228 HG1 THR 29 HG1 THR 29 52.413 67.070 37.320 229 HG21 THR 29 HG21 THR 29 54.747 66.869 38.075 230 HG22 THR 29 HG22 THR 29 54.384 67.962 39.431 231 HG23 THR 29 HG23 THR 29 54.785 66.254 39.754 232 H GLU 30 H GLU 30 51.639 65.122 41.079 233 HA GLU 30 HA GLU 30 49.240 63.675 40.693 234 HB2 GLU 30 HB2 GLU 30 49.738 65.763 42.878 235 HB3 GLU 30 HB3 GLU 30 48.595 64.414 42.912 236 HG2 GLU 30 HG2 GLU 30 50.585 62.857 42.798 237 HG3 GLU 30 HG3 GLU 30 51.627 64.283 42.870 238 H GLU 31 H GLU 31 49.943 67.100 40.113 239 HA GLU 31 HA GLU 31 47.212 68.020 39.764 240 HB2 GLU 31 HB2 GLU 31 49.908 68.834 38.623 241 HB3 GLU 31 HB3 GLU 31 48.397 69.637 38.151 242 HG2 GLU 31 HG2 GLU 31 48.022 69.964 40.683 243 HG3 GLU 31 HG3 GLU 31 49.759 69.666 40.808 244 H LEU 32 H LEU 32 49.543 66.554 37.431 245 HA LEU 32 HA LEU 32 47.673 66.826 35.218 246 HB2 LEU 32 HB2 LEU 32 50.032 66.620 34.701 247 HB3 LEU 32 HB3 LEU 32 50.125 65.061 35.532 248 HG LEU 32 HG LEU 32 48.746 64.001 33.799 249 HD11 LEU 32 HD11 LEU 32 48.718 66.671 32.322 250 HD12 LEU 32 HD12 LEU 32 48.018 65.112 31.795 251 HD13 LEU 32 HD13 LEU 32 47.317 65.973 33.149 252 HD21 LEU 32 HD21 LEU 32 51.121 64.035 33.561 253 HD22 LEU 32 HD22 LEU 32 50.419 64.199 31.956 254 HD23 LEU 32 HD23 LEU 32 51.074 65.635 32.757 255 H LEU 33 H LEU 33 48.564 64.125 37.372 256 HA LEU 33 HA LEU 33 46.718 62.226 36.277 257 HB2 LEU 33 HB2 LEU 33 47.962 62.585 39.024 258 HB3 LEU 33 HB3 LEU 33 47.050 61.128 38.533 259 HG LEU 33 HG LEU 33 49.759 62.076 37.541 260 HD11 LEU 33 HD11 LEU 33 48.939 59.418 38.727 261 HD12 LEU 33 HD12 LEU 33 50.577 60.054 38.348 262 HD13 LEU 33 HD13 LEU 33 49.632 60.774 39.653 263 HD21 LEU 33 HD21 LEU 33 49.520 59.975 35.996 264 HD22 LEU 33 HD22 LEU 33 47.756 60.206 36.287 265 HD23 LEU 33 HD23 LEU 33 48.710 61.465 35.537 266 H PHE 34 H PHE 34 46.232 64.608 38.922 267 HA PHE 34 HA PHE 34 43.609 63.709 39.546 268 HB2 PHE 34 HB2 PHE 34 45.036 65.250 40.887 269 HB3 PHE 34 HB3 PHE 34 44.681 66.541 39.743 270 HD1 PHE 34 HD2 PHE 34 43.417 64.047 42.137 271 HD2 PHE 34 HD1 PHE 34 42.256 67.475 39.792 272 HE1 PHE 34 HE2 PHE 34 41.258 64.158 43.358 273 HE2 PHE 34 HE1 PHE 34 40.138 67.628 41.100 274 HZ PHE 34 HZ PHE 34 39.670 66.007 42.894 275 H GLU 35 H GLU 35 44.692 66.157 37.165 276 HA GLU 35 HA GLU 35 42.049 66.850 36.255 277 HB2 GLU 35 HB2 GLU 35 43.570 68.573 36.015 278 HB3 GLU 35 HB3 GLU 35 44.902 67.512 35.572 279 HG2 GLU 35 HG2 GLU 35 44.121 67.241 33.338 280 HG3 GLU 35 HG3 GLU 35 42.602 68.073 33.700 281 H LEU 36 H LEU 36 44.204 64.324 35.432 282 HA LEU 36 HA LEU 36 42.841 63.602 32.899 283 HB2 LEU 36 HB2 LEU 36 45.252 63.503 32.888 284 HB3 LEU 36 HB3 LEU 36 45.277 62.523 34.339 285 HG LEU 36 HG LEU 36 43.877 61.457 31.857 286 HD11 LEU 36 HD11 LEU 36 46.872 61.471 32.296 287 HD12 LEU 36 HD12 LEU 36 45.978 60.432 31.149 288 HD13 LEU 36 HD13 LEU 36 45.945 62.198 30.957 289 HD21 LEU 36 HD21 LEU 36 43.643 59.974 33.691 290 HD22 LEU 36 HD22 LEU 36 45.057 59.325 32.869 291 HD23 LEU 36 HD23 LEU 36 45.264 60.333 34.319 292 H PHE 37 H PHE 37 43.374 62.032 36.150 293 HA PHE 37 HA PHE 37 41.545 59.946 35.425 294 HB2 PHE 37 HB2 PHE 37 42.952 60.608 38.041 295 HB3 PHE 37 HB3 PHE 37 41.795 59.302 37.875 296 HD1 PHE 37 HD2 PHE 37 42.033 57.634 36.047 297 HD2 PHE 37 HD1 PHE 37 45.287 60.095 37.415 298 HE1 PHE 37 HE2 PHE 37 43.635 55.978 35.181 299 HE2 PHE 37 HE1 PHE 37 46.911 58.460 36.395 300 HZ PHE 37 HZ PHE 37 46.086 56.506 35.172 301 H HIS 38 H HIS 38 40.932 63.181 36.692 302 HA HIS 38 HA HIS 38 38.348 62.601 37.732 303 HB2 HIS 38 HB2 HIS 38 39.486 64.761 38.075 304 HB3 HIS 38 HB3 HIS 38 39.363 65.114 36.340 305 HD2 HIS 38 HD2 HIS 38 36.764 63.942 39.034 306 HE1 HIS 38 HE1 HIS 38 35.143 67.366 37.128 307 HE2 HIS 38 HE2 HIS 38 34.697 65.474 38.768 308 H GLN 39 H GLN 39 39.345 62.715 34.324 309 HA GLN 39 HA GLN 39 36.647 62.634 33.260 310 HB2 GLN 39 HB2 GLN 39 39.230 61.400 32.253 311 HB3 GLN 39 HB3 GLN 39 37.704 61.477 31.355 312 HG2 GLN 39 HG2 GLN 39 37.794 63.975 31.450 313 HG3 GLN 39 HG3 GLN 39 39.368 63.839 32.306 314 HE21 GLN 39 HE22 GLN 39 38.039 62.049 29.494 315 HE22 GLN 39 HE21 GLN 39 39.373 62.474 28.423 316 H ALA 40 H ALA 40 38.627 60.168 34.867 317 HA ALA 40 HA ALA 40 36.941 57.968 33.912 318 HB1 ALA 40 HB1 ALA 40 39.320 58.010 35.816 319 HB2 ALA 40 HB2 ALA 40 38.516 56.566 35.189 320 HB3 ALA 40 HB3 ALA 40 39.378 57.653 34.074 321 H GLY 41 H GLY 41 36.564 60.279 36.230 322 HA2 GLY 41 HA2 GLY 41 34.311 60.340 37.240 323 HA3 GLY 41 HA3 GLY 41 34.446 58.619 37.562 324 HA PRO 42 HA PRO 42 35.142 61.055 41.265 325 HB2 PRO 42 HB2 PRO 42 34.130 59.423 43.220 326 HB3 PRO 42 HB3 PRO 42 33.196 60.452 42.097 327 HG2 PRO 42 HG2 PRO 42 33.659 57.494 41.912 328 HG3 PRO 42 HG3 PRO 42 32.178 58.435 41.578 329 HD2 PRO 42 HD2 PRO 42 33.873 57.594 39.576 330 HD3 PRO 42 HD3 PRO 42 32.897 59.071 39.470 331 H VAL 43 H VAL 43 37.369 61.129 41.070 332 HA VAL 43 HA VAL 43 39.156 59.222 42.347 333 HB VAL 43 HB VAL 43 39.651 62.052 41.348 334 HG11 VAL 43 HG11 VAL 43 41.561 60.050 42.601 335 HG12 VAL 43 HG12 VAL 43 42.075 61.483 41.669 336 HG13 VAL 43 HG13 VAL 43 41.183 61.695 43.165 337 HG21 VAL 43 HG21 VAL 43 41.105 60.884 39.682 338 HG22 VAL 43 HG22 VAL 43 40.402 59.339 40.195 339 HG23 VAL 43 HG23 VAL 43 39.385 60.604 39.464 340 H ILE 44 H ILE 44 39.733 59.173 44.517 341 HA ILE 44 HA ILE 44 38.806 61.185 46.506 342 HB ILE 44 HB ILE 44 40.280 58.538 46.885 343 HG12 ILE 44 HG12 ILE 44 37.370 59.260 47.090 344 HG13 ILE 44 HG13 ILE 44 38.183 57.923 46.278 345 HG21 ILE 44 HG21 ILE 44 39.177 60.285 49.113 346 HG22 ILE 44 HG22 ILE 44 40.148 58.805 49.235 347 HG23 ILE 44 HG23 ILE 44 40.881 60.268 48.634 348 HD11 ILE 44 HD11 ILE 44 36.854 57.171 48.231 349 HD12 ILE 44 HD12 ILE 44 38.564 56.759 48.369 350 HD13 ILE 44 HD13 ILE 44 37.870 58.107 49.312 351 H LYS 45 H LYS 45 41.923 59.833 45.394 352 HA LYS 45 HA LYS 45 43.426 62.254 45.847 353 HB2 LYS 45 HB2 LYS 45 44.843 61.668 47.530 354 HB3 LYS 45 HB3 LYS 45 43.295 61.283 48.196 355 HG2 LYS 45 HG2 LYS 45 44.709 58.941 46.943 356 HG3 LYS 45 HG3 LYS 45 45.578 59.657 48.236 357 HD2 LYS 45 HD2 LYS 45 42.656 58.908 48.642 358 HD3 LYS 45 HD3 LYS 45 43.913 57.705 48.702 359 HE2 LYS 45 HE2 LYS 45 43.325 58.346 50.919 360 HE3 LYS 45 HE3 LYS 45 45.015 58.645 50.584 361 HZ1 LYS 45 HZ1 LYS 45 42.898 60.713 50.649 362 HZ2 LYS 45 HZ2 LYS 45 43.977 60.446 51.820 363 HZ3 LYS 45 HZ3 LYS 45 44.483 61.019 50.428 364 H VAL 46 H VAL 46 45.464 62.078 44.891 365 HA VAL 46 HA VAL 46 45.939 59.805 43.066 366 HB VAL 46 HB VAL 46 46.621 62.780 43.080 367 HG11 VAL 46 HG11 VAL 46 47.777 62.395 40.970 368 HG12 VAL 46 HG12 VAL 46 48.622 61.732 42.384 369 HG13 VAL 46 HG13 VAL 46 47.746 60.619 41.304 370 HG21 VAL 46 HG21 VAL 46 44.399 62.193 42.162 371 HG22 VAL 46 HG22 VAL 46 45.521 62.942 41.002 372 HG23 VAL 46 HG23 VAL 46 45.173 61.205 40.907 373 H LYS 47 H LYS 47 48.069 58.921 43.233 374 HA LYS 47 HA LYS 47 49.952 60.192 45.147 375 HB2 LYS 47 HB2 LYS 47 49.263 58.113 46.246 376 HB3 LYS 47 HB3 LYS 47 49.325 57.259 44.692 377 HG2 LYS 47 HG2 LYS 47 51.128 56.488 46.047 378 HG3 LYS 47 HG3 LYS 47 51.768 57.337 44.656 379 HD2 LYS 47 HD2 LYS 47 52.117 59.364 46.208 380 HD3 LYS 47 HD3 LYS 47 51.617 58.269 47.536 381 HE2 LYS 47 HE2 LYS 47 53.422 56.802 47.191 382 HE3 LYS 47 HE3 LYS 47 53.811 57.459 45.626 383 HZ1 LYS 47 HZ1 LYS 47 54.518 59.532 46.772 384 HZ2 LYS 47 HZ2 LYS 47 54.145 58.863 48.221 385 HZ3 LYS 47 HZ3 LYS 47 55.334 58.245 47.317 386 H ILE 48 H ILE 48 51.605 60.902 44.323 387 HA ILE 48 HA ILE 48 52.896 59.465 42.078 388 HB ILE 48 HB ILE 48 52.970 62.268 43.110 389 HG12 ILE 48 HG12 ILE 48 51.449 61.462 41.243 390 HG13 ILE 48 HG13 ILE 48 52.518 62.812 40.842 391 HG21 ILE 48 HG21 ILE 48 55.204 61.004 41.552 392 HG22 ILE 48 HG22 ILE 48 54.889 62.774 41.602 393 HG23 ILE 48 HG23 ILE 48 55.297 61.906 43.084 394 HD11 ILE 48 HD11 ILE 48 53.040 59.904 40.046 395 HD12 ILE 48 HD12 ILE 48 52.288 61.146 39.023 396 HD13 ILE 48 HD13 ILE 48 53.972 61.336 39.563 397 HA PRO 49 HA PRO 49 55.914 57.925 45.245 398 HB2 PRO 49 HB2 PRO 49 57.325 56.408 43.422 399 HB3 PRO 49 HB3 PRO 49 55.878 55.819 44.283 400 HG2 PRO 49 HG2 PRO 49 56.196 57.025 41.538 401 HG3 PRO 49 HG3 PRO 49 55.194 55.597 41.953 402 HD2 PRO 49 HD2 PRO 49 54.172 58.065 41.529 403 HD3 PRO 49 HD3 PRO 49 53.439 57.061 42.806 404 H LYS 50 H LYS 50 58.396 58.104 45.191 405 HA LYS 50 HA LYS 50 59.607 59.639 43.095 406 HB2 LYS 50 HB2 LYS 50 58.953 60.932 45.741 407 HB3 LYS 50 HB3 LYS 50 60.487 61.335 44.953 408 HG2 LYS 50 HG2 LYS 50 58.762 61.592 42.861 409 HG3 LYS 50 HG3 LYS 50 57.713 62.082 44.208 410 HD2 LYS 50 HD2 LYS 50 59.193 63.979 44.698 411 HD3 LYS 50 HD3 LYS 50 60.431 63.315 43.616 412 HE2 LYS 50 HE2 LYS 50 58.465 63.362 41.830 413 HE3 LYS 50 HE3 LYS 50 57.737 64.525 42.934 414 HZ1 LYS 50 HZ1 LYS 50 60.457 64.763 41.775 415 HZ2 LYS 50 HZ2 LYS 50 59.125 65.634 41.303 416 HZ3 LYS 50 HZ3 LYS 50 59.727 65.836 42.752 417 H ASP 51 H ASP 51 61.283 58.386 42.884 418 HA ASP 51 HA ASP 51 63.016 56.920 44.612 419 HB2 ASP 51 HB2 ASP 51 63.003 57.123 42.075 420 HB3 ASP 51 HB3 ASP 51 63.699 58.747 42.304 421 H LYS 52 H LYS 52 65.097 57.543 45.483 422 HA LYS 52 HA LYS 52 65.351 59.912 46.906 423 HB2 LYS 52 HB2 LYS 52 67.806 59.319 46.975 424 HB3 LYS 52 HB3 LYS 52 66.641 58.050 47.380 425 HG2 LYS 52 HG2 LYS 52 67.860 56.759 46.072 426 HG3 LYS 52 HG3 LYS 52 66.998 57.550 44.705 427 HD2 LYS 52 HD2 LYS 52 68.985 59.031 44.437 428 HD3 LYS 52 HD3 LYS 52 69.748 58.102 45.762 429 HE2 LYS 52 HE2 LYS 52 70.494 57.174 43.653 430 HE3 LYS 52 HE3 LYS 52 69.444 56.011 44.442 431 HZ1 LYS 52 HZ1 LYS 52 68.663 56.063 42.237 432 HZ2 LYS 52 HZ2 LYS 52 67.604 57.050 42.952 433 HZ3 LYS 52 HZ3 LYS 52 68.785 57.668 42.084 434 H ASP 53 H ASP 53 66.034 59.352 43.483 435 HA ASP 53 HA ASP 53 67.374 61.881 43.166 436 HB2 ASP 53 HB2 ASP 53 67.778 59.746 41.817 437 HB3 ASP 53 HB3 ASP 53 66.367 60.156 40.870 438 H GLY 54 H GLY 54 64.155 61.033 43.553 439 HA2 GLY 54 HA2 GLY 54 62.477 62.515 43.917 440 HA3 GLY 54 HA3 GLY 54 63.265 63.764 42.945 441 H LYS 55 H LYS 55 62.578 60.358 41.903 442 HA LYS 55 HA LYS 55 60.784 61.542 39.869 443 HB2 LYS 55 HB2 LYS 55 63.104 60.829 39.149 444 HB3 LYS 55 HB3 LYS 55 62.611 59.136 39.518 445 HG2 LYS 55 HG2 LYS 55 62.459 59.377 37.176 446 HG3 LYS 55 HG3 LYS 55 60.823 59.378 37.792 447 HD2 LYS 55 HD2 LYS 55 60.689 61.313 36.414 448 HD3 LYS 55 HD3 LYS 55 61.326 62.081 37.849 449 HE2 LYS 55 HE2 LYS 55 63.682 61.647 36.852 450 HE3 LYS 55 HE3 LYS 55 62.840 61.165 35.375 451 HZ1 LYS 55 HZ1 LYS 55 61.717 63.377 35.483 452 HZ2 LYS 55 HZ2 LYS 55 62.628 63.774 36.754 453 HZ3 LYS 55 HZ3 LYS 55 63.333 63.511 35.322 454 HA PRO 56 HA PRO 56 57.863 58.501 41.167 455 HB2 PRO 56 HB2 PRO 56 56.143 58.697 38.903 456 HB3 PRO 56 HB3 PRO 56 56.090 59.705 40.386 457 HG2 PRO 56 HG2 PRO 56 57.342 60.088 37.695 458 HG3 PRO 56 HG3 PRO 56 56.529 61.353 38.700 459 HD2 PRO 56 HD2 PRO 56 59.286 61.137 38.473 460 HD3 PRO 56 HD3 PRO 56 58.511 61.744 39.923 461 H LYS 57 H LYS 57 60.155 57.631 39.048 462 HA LYS 57 HA LYS 57 60.650 55.636 37.928 463 HB2 LYS 57 HB2 LYS 57 58.583 54.396 39.770 464 HB3 LYS 57 HB3 LYS 57 59.984 53.597 39.077 465 HG2 LYS 57 HG2 LYS 57 61.000 54.045 41.019 466 HG3 LYS 57 HG3 LYS 57 61.180 55.687 40.436 467 HD2 LYS 57 HD2 LYS 57 59.275 56.496 41.616 468 HD3 LYS 57 HD3 LYS 57 58.616 54.878 41.894 469 HE2 LYS 57 HE2 LYS 57 61.299 55.872 42.844 470 HE3 LYS 57 HE3 LYS 57 59.838 56.051 43.837 471 HZ1 LYS 57 HZ1 LYS 57 61.085 54.100 44.441 472 HZ2 LYS 57 HZ2 LYS 57 59.636 53.635 43.873 473 HZ3 LYS 57 HZ3 LYS 57 61.006 53.442 42.983 474 H GLN 58 H GLN 58 58.525 57.242 36.858 475 HA GLN 58 HA GLN 58 57.026 57.319 35.241 476 HB2 GLN 58 HB2 GLN 58 58.369 54.750 34.296 477 HB3 GLN 58 HB3 GLN 58 57.116 55.614 33.447 478 HG2 GLN 58 HG2 GLN 58 58.781 57.693 33.680 479 HG3 GLN 58 HG3 GLN 58 60.002 56.447 33.995 480 HE21 GLN 58 HE22 GLN 58 57.746 57.855 31.893 481 HE22 GLN 58 HE21 GLN 58 57.896 56.874 30.484 482 H PHE 59 H PHE 59 56.022 56.311 37.636 483 HA PHE 59 HA PHE 59 53.649 54.824 36.725 484 HB2 PHE 59 HB2 PHE 59 53.875 52.931 37.539 485 HB3 PHE 59 HB3 PHE 59 55.585 53.237 37.433 486 HD1 PHE 59 HD1 PHE 59 52.613 52.826 39.534 487 HD2 PHE 59 HD2 PHE 59 56.862 53.337 39.582 488 HE1 PHE 59 HE1 PHE 59 52.591 52.425 41.964 489 HE2 PHE 59 HE2 PHE 59 56.883 52.720 42.040 490 HZ PHE 59 HZ PHE 59 54.732 52.363 43.232 491 H ALA 60 H ALA 60 51.950 54.780 38.486 492 HA ALA 60 HA ALA 60 52.285 56.501 40.792 493 HB1 ALA 60 HB1 ALA 60 50.407 58.002 40.164 494 HB2 ALA 60 HB2 ALA 60 51.903 58.240 39.273 495 HB3 ALA 60 HB3 ALA 60 50.542 57.399 38.480 496 H PHE 61 H PHE 61 49.939 56.697 41.851 497 HA PHE 61 HA PHE 61 48.062 54.535 41.138 498 HB2 PHE 61 HB2 PHE 61 49.299 55.117 43.835 499 HB3 PHE 61 HB3 PHE 61 47.633 54.565 43.771 500 HD1 PHE 61 HD1 PHE 61 47.131 52.163 43.085 501 HD2 PHE 61 HD2 PHE 61 51.109 53.639 43.811 502 HE1 PHE 61 HE1 PHE 61 47.977 49.823 43.297 503 HE2 PHE 61 HE2 PHE 61 51.924 51.314 44.077 504 HZ PHE 61 HZ PHE 61 50.370 49.415 43.836 505 H VAL 62 H VAL 62 45.932 54.956 42.034 506 HA VAL 62 HA VAL 62 45.156 57.744 42.710 507 HB VAL 62 HB VAL 62 43.730 56.248 40.483 508 HG11 VAL 62 HG11 VAL 62 43.011 58.621 39.962 509 HG12 VAL 62 HG12 VAL 62 42.475 58.017 41.537 510 HG13 VAL 62 HG13 VAL 62 43.860 59.138 41.428 511 HG21 VAL 62 HG21 VAL 62 46.051 56.643 39.646 512 HG22 VAL 62 HG22 VAL 62 44.869 57.665 38.840 513 HG23 VAL 62 HG23 VAL 62 45.901 58.338 40.160 514 H ASN 63 H ASN 63 43.476 57.725 44.084 515 HA ASN 63 HA ASN 63 42.278 55.114 44.913 516 HB2 ASN 63 HB2 ASN 63 43.632 56.819 46.505 517 HB3 ASN 63 HB3 ASN 63 42.113 57.664 46.505 518 HD21 ASN 63 HD22 ASN 63 43.810 55.100 47.913 519 HD22 ASN 63 HD21 ASN 63 42.474 54.167 48.562 520 H PHE 64 H PHE 64 39.868 55.033 45.220 521 HA PHE 64 HA PHE 64 38.381 57.164 43.737 522 HB2 PHE 64 HB2 PHE 64 38.687 54.298 42.917 523 HB3 PHE 64 HB3 PHE 64 37.119 55.022 42.718 524 HD1 PHE 64 HD1 PHE 64 40.682 55.949 42.016 525 HD2 PHE 64 HD2 PHE 64 36.576 56.123 40.766 526 HE1 PHE 64 HE1 PHE 64 41.398 56.758 39.755 527 HE2 PHE 64 HE2 PHE 64 37.269 56.956 38.546 528 HZ PHE 64 HZ PHE 64 39.695 57.227 38.016 529 H LYS 65 H LYS 65 36.042 57.279 44.122 530 HA LYS 65 HA LYS 65 34.987 56.221 46.623 531 HB2 LYS 65 HB2 LYS 65 33.513 57.318 44.203 532 HB3 LYS 65 HB3 LYS 65 32.725 56.831 45.692 533 HG2 LYS 65 HG2 LYS 65 34.778 59.015 45.656 534 HG3 LYS 65 HG3 LYS 65 33.018 59.223 45.423 535 HD2 LYS 65 HD2 LYS 65 32.765 57.942 47.692 536 HD3 LYS 65 HD3 LYS 65 34.484 58.274 47.899 537 HE2 LYS 65 HE2 LYS 65 33.508 59.952 49.063 538 HE3 LYS 65 HE3 LYS 65 33.850 60.757 47.515 539 HZ1 LYS 65 HZ1 LYS 65 31.196 59.623 48.200 540 HZ2 LYS 65 HZ2 LYS 65 31.564 61.208 48.346 541 HZ3 LYS 65 HZ3 LYS 65 31.586 60.535 46.902 542 H HIS 66 H HIS 66 35.192 54.855 43.430 543 HA HIS 66 HA HIS 66 33.217 52.734 43.762 544 HB2 HIS 66 HB2 HIS 66 35.646 52.871 41.957 545 HB3 HIS 66 HB3 HIS 66 34.310 51.734 41.827 546 HD2 HIS 66 HD2 HIS 66 35.302 53.914 39.636 547 HE1 HIS 66 HE1 HIS 66 31.500 55.718 40.245 548 HE2 HIS 66 HE2 HIS 66 33.491 55.598 38.744 549 H GLU 67 H GLU 67 33.570 50.563 44.507 550 HA GLU 67 HA GLU 67 36.236 50.014 45.811 551 HB2 GLU 67 HB2 GLU 67 34.375 50.654 47.307 552 HB3 GLU 67 HB3 GLU 67 33.528 49.160 46.880 553 HG2 GLU 67 HG2 GLU 67 35.318 47.819 47.858 554 HG3 GLU 67 HG3 GLU 67 36.309 49.258 48.121 555 H VAL 68 H VAL 68 33.783 48.648 43.823 556 HA VAL 68 HA VAL 68 34.491 45.872 43.957 557 HB VAL 68 HB VAL 68 32.927 45.643 42.073 558 HG11 VAL 68 HG11 VAL 68 32.071 46.102 44.446 559 HG12 VAL 68 HG12 VAL 68 31.715 47.752 43.881 560 HG13 VAL 68 HG13 VAL 68 30.945 46.365 43.113 561 HG21 VAL 68 HG21 VAL 68 33.677 47.674 40.796 562 HG22 VAL 68 HG22 VAL 68 31.919 47.634 40.983 563 HG23 VAL 68 HG23 VAL 68 32.880 48.709 42.003 564 H SER 69 H SER 69 36.762 47.596 43.359 565 HA SER 69 HA SER 69 38.683 47.565 42.229 566 HB2 SER 69 HB2 SER 69 39.711 45.478 41.684 567 HB3 SER 69 HB3 SER 69 38.915 45.440 43.257 568 HG SER 69 HG SER 69 37.938 43.815 42.605 569 H VAL 70 H VAL 70 36.876 48.759 40.819 570 HA VAL 70 HA VAL 70 36.756 47.725 38.054 571 HB VAL 70 HB VAL 70 34.647 48.262 38.745 572 HG11 VAL 70 HG11 VAL 70 35.055 49.783 40.673 573 HG12 VAL 70 HG12 VAL 70 35.470 51.096 39.567 574 HG13 VAL 70 HG13 VAL 70 33.833 50.423 39.585 575 HG21 VAL 70 HG21 VAL 70 35.394 50.638 36.989 576 HG22 VAL 70 HG22 VAL 70 35.186 48.962 36.435 577 HG23 VAL 70 HG23 VAL 70 33.835 49.847 37.142 578 HA PRO 71 HA PRO 71 39.918 50.967 37.351 579 HB2 PRO 71 HB2 PRO 71 41.289 49.907 35.338 580 HB3 PRO 71 HB3 PRO 71 41.387 49.222 36.998 581 HG2 PRO 71 HG2 PRO 71 39.585 48.273 34.724 582 HG3 PRO 71 HG3 PRO 71 40.720 47.266 35.678 583 HD2 PRO 71 HD2 PRO 71 38.067 47.471 36.359 584 HD3 PRO 71 HD3 PRO 71 39.353 47.393 37.604 585 H TYR 72 H TYR 72 37.828 52.052 36.800 586 HA TYR 72 HA TYR 72 36.591 52.101 34.301 587 HB2 TYR 72 HB2 TYR 72 35.839 53.219 36.440 588 HB3 TYR 72 HB3 TYR 72 36.778 54.620 35.981 589 HD1 TYR 72 HD1 TYR 72 36.429 55.788 33.885 590 HD2 TYR 72 HD2 TYR 72 33.678 52.749 35.252 591 HE1 TYR 72 HE1 TYR 72 34.591 56.877 32.607 592 HE2 TYR 72 HE2 TYR 72 31.858 53.836 33.951 593 HH TYR 72 HH TYR 72 32.203 56.794 32.328 594 H ALA 73 H ALA 73 39.586 53.747 35.189 595 HA ALA 73 HA ALA 73 39.742 55.392 32.811 596 HB1 ALA 73 HB1 ALA 73 42.055 54.427 34.546 597 HB2 ALA 73 HB2 ALA 73 42.033 55.888 33.599 598 HB3 ALA 73 HB3 ALA 73 40.990 55.779 35.037 599 H MET 74 H MET 74 40.738 52.025 33.323 600 HA MET 74 HA MET 74 42.727 51.963 31.304 601 HB2 MET 74 HB2 MET 74 42.555 50.128 32.892 602 HB3 MET 74 HB3 MET 74 40.906 49.755 32.379 603 HG2 MET 74 HG2 MET 74 41.911 49.223 30.079 604 HG3 MET 74 HG3 MET 74 43.492 49.533 30.815 605 HE1 MET 74 HE1 MET 74 44.543 46.108 30.826 606 HE2 MET 74 HE2 MET 74 44.388 47.591 29.863 607 HE3 MET 74 HE3 MET 74 44.990 47.674 31.535 608 H ASN 75 H ASN 75 39.258 52.086 31.090 609 HA ASN 75 HA ASN 75 39.007 51.295 28.243 610 HB2 ASN 75 HB2 ASN 75 37.357 50.442 29.833 611 HB3 ASN 75 HB3 ASN 75 37.123 52.051 30.518 612 HD21 ASN 75 HD22 ASN 75 35.216 52.854 29.892 613 HD22 ASN 75 HD21 ASN 75 34.792 53.056 28.199 614 H LEU 76 H LEU 76 39.708 54.096 30.107 615 HA LEU 76 HA LEU 76 38.115 55.887 28.386 616 HB2 LEU 76 HB2 LEU 76 38.170 55.592 31.156 617 HB3 LEU 76 HB3 LEU 76 39.329 56.893 30.931 618 HG LEU 76 HG LEU 76 37.120 57.563 31.598 619 HD11 LEU 76 HD11 LEU 76 37.997 58.695 28.932 620 HD12 LEU 76 HD12 LEU 76 36.878 59.453 30.103 621 HD13 LEU 76 HD13 LEU 76 38.557 59.155 30.568 622 HD21 LEU 76 HD21 LEU 76 35.960 55.783 30.143 623 HD22 LEU 76 HD22 LEU 76 35.183 57.358 30.303 624 HD23 LEU 76 HD23 LEU 76 36.068 56.944 28.815 625 H LEU 77 H LEU 77 41.312 55.534 29.903 626 HA LEU 77 HA LEU 77 42.398 57.770 28.291 627 HB2 LEU 77 HB2 LEU 77 43.515 56.802 30.931 628 HB3 LEU 77 HB3 LEU 77 44.120 58.099 29.908 629 HG LEU 77 HG LEU 77 43.207 59.367 31.467 630 HD11 LEU 77 HD11 LEU 77 40.605 58.985 29.997 631 HD12 LEU 77 HD12 LEU 77 41.229 60.428 30.859 632 HD13 LEU 77 HD13 LEU 77 41.959 59.936 29.338 633 HD21 LEU 77 HD21 LEU 77 42.460 57.780 32.968 634 HD22 LEU 77 HD22 LEU 77 41.156 58.945 32.749 635 HD23 LEU 77 HD23 LEU 77 41.022 57.345 31.984 636 H ASN 78 H ASN 78 44.443 55.362 29.967 637 HA ASN 78 HA ASN 78 46.071 53.946 29.068 638 HB2 ASN 78 HB2 ASN 78 43.982 52.947 29.875 639 HB3 ASN 78 HB3 ASN 78 43.405 52.803 28.217 640 HD21 ASN 78 HD22 ASN 78 45.050 51.454 26.789 641 HD22 ASN 78 HD21 ASN 78 45.750 50.055 27.595 642 H GLY 79 H GLY 79 46.682 55.811 27.580 643 HA2 GLY 79 HA2 GLY 79 47.787 55.318 25.242 644 HA3 GLY 79 HA3 GLY 79 46.089 55.282 24.705 645 H ILE 80 H ILE 80 46.930 57.619 27.198 646 HA ILE 80 HA ILE 80 46.893 59.780 25.181 647 HB ILE 80 HB ILE 80 45.043 60.909 26.151 648 HG12 ILE 80 HG12 ILE 80 43.868 59.215 28.048 649 HG13 ILE 80 HG13 ILE 80 45.588 59.259 28.472 650 HG21 ILE 80 HG21 ILE 80 44.291 57.966 25.793 651 HG22 ILE 80 HG22 ILE 80 43.123 59.254 25.998 652 HG23 ILE 80 HG23 ILE 80 44.184 59.276 24.583 653 HD11 ILE 80 HD11 ILE 80 44.083 61.835 27.909 654 HD12 ILE 80 HD12 ILE 80 44.040 61.054 29.503 655 HD13 ILE 80 HD13 ILE 80 45.585 61.584 28.816 656 H LYS 81 H LYS 81 47.514 61.835 25.883 657 HA LYS 81 HA LYS 81 48.581 62.279 28.536 658 HB2 LYS 81 HB2 LYS 81 51.033 62.549 27.475 659 HB3 LYS 81 HB3 LYS 81 50.404 61.032 28.071 660 HG2 LYS 81 HG2 LYS 81 51.536 60.657 25.927 661 HG3 LYS 81 HG3 LYS 81 49.820 60.410 25.681 662 HD2 LYS 81 HD2 LYS 81 49.637 62.765 24.826 663 HD3 LYS 81 HD3 LYS 81 51.392 62.950 25.101 664 HE2 LYS 81 HE2 LYS 81 51.798 60.993 23.624 665 HE3 LYS 81 HE3 LYS 81 50.076 60.766 23.423 666 HZ1 LYS 81 HZ1 LYS 81 50.027 62.947 22.217 667 HZ2 LYS 81 HZ2 LYS 81 51.632 63.109 22.470 668 HZ3 LYS 81 HZ3 LYS 81 51.054 61.923 21.527 669 H LEU 82 H LEU 82 49.855 64.152 28.784 670 HA LEU 82 HA LEU 82 49.001 66.478 27.103 671 HB2 LEU 82 HB2 LEU 82 48.780 66.446 29.728 672 HB3 LEU 82 HB3 LEU 82 50.541 66.534 29.709 673 HG LEU 82 HG LEU 82 50.538 68.662 28.556 674 HD11 LEU 82 HD11 LEU 82 48.630 68.639 27.152 675 HD12 LEU 82 HD12 LEU 82 47.508 68.452 28.541 676 HD13 LEU 82 HD13 LEU 82 48.398 69.962 28.293 677 HD21 LEU 82 HD21 LEU 82 49.623 70.078 30.296 678 HD22 LEU 82 HD22 LEU 82 48.641 68.743 30.927 679 HD23 LEU 82 HD23 LEU 82 50.422 68.666 31.003 680 H TYR 83 H TYR 83 51.896 64.703 28.252 681 HA TYR 83 HA TYR 83 53.581 66.822 27.071 682 HB2 TYR 83 HB2 TYR 83 54.068 64.532 28.973 683 HB3 TYR 83 HB3 TYR 83 55.343 65.627 28.465 684 HD1 TYR 83 HD1 TYR 83 54.298 68.287 28.673 685 HD2 TYR 83 HD2 TYR 83 53.416 64.845 31.111 686 HE1 TYR 83 HE1 TYR 83 53.799 69.782 30.601 687 HE2 TYR 83 HE2 TYR 83 53.064 66.312 33.068 688 HH TYR 83 HH TYR 83 53.133 69.835 32.843 689 H GLY 84 H GLY 84 53.436 63.270 27.012 690 HA2 GLY 84 HA2 GLY 84 54.161 62.847 24.312 691 HA3 GLY 84 HA3 GLY 84 55.647 62.927 25.264 692 H ARG 85 H ARG 85 54.330 61.591 27.653 693 HA ARG 85 HA ARG 85 54.527 58.780 26.748 694 HB2 ARG 85 HB2 ARG 85 54.924 59.923 29.496 695 HB3 ARG 85 HB3 ARG 85 54.855 58.226 29.056 696 HG2 ARG 85 HG2 ARG 85 57.126 58.431 28.866 697 HG3 ARG 85 HG3 ARG 85 56.637 58.786 27.221 698 HD2 ARG 85 HD2 ARG 85 56.756 61.289 27.963 699 HD3 ARG 85 HD3 ARG 85 57.668 60.632 29.349 700 HE ARG 85 HE ARG 85 58.765 59.512 26.975 701 HH11 ARG 85 HH11 ARG 85 58.367 62.669 28.429 702 HH12 ARG 85 HH12 ARG 85 59.923 63.213 27.846 703 HH21 ARG 85 HH21 ARG 85 60.700 60.255 26.322 704 HH22 ARG 85 HH22 ARG 85 61.293 61.871 26.751 705 HA PRO 86 HA PRO 86 50.017 58.905 27.323 706 HB2 PRO 86 HB2 PRO 86 49.509 56.528 26.097 707 HB3 PRO 86 HB3 PRO 86 49.839 58.059 25.195 708 HG2 PRO 86 HG2 PRO 86 51.778 55.823 25.887 709 HG3 PRO 86 HG3 PRO 86 51.588 56.645 24.286 710 HD2 PRO 86 HD2 PRO 86 53.520 57.286 26.006 711 HD3 PRO 86 HD3 PRO 86 52.702 58.542 25.037 712 H ILE 87 H ILE 87 49.292 58.547 29.279 713 HA ILE 87 HA ILE 87 50.123 56.818 31.292 714 HB ILE 87 HB ILE 87 47.421 57.984 30.581 715 HG12 ILE 87 HG12 ILE 87 49.000 59.670 30.968 716 HG13 ILE 87 HG13 ILE 87 48.020 59.571 32.447 717 HG21 ILE 87 HG21 ILE 87 48.129 57.115 33.381 718 HG22 ILE 87 HG22 ILE 87 46.566 57.628 32.676 719 HG23 ILE 87 HG23 ILE 87 47.241 56.022 32.304 720 HD11 ILE 87 HD11 ILE 87 50.174 59.770 33.336 721 HD12 ILE 87 HD12 ILE 87 50.036 58.013 33.301 722 HD13 ILE 87 HD13 ILE 87 50.898 58.841 31.992 723 H LYS 88 H LYS 88 50.144 54.778 31.582 724 HA LYS 88 HA LYS 88 48.177 53.122 30.183 725 HB2 LYS 88 HB2 LYS 88 50.656 52.706 29.700 726 HB3 LYS 88 HB3 LYS 88 50.884 52.307 31.394 727 HG2 LYS 88 HG2 LYS 88 50.597 50.341 29.779 728 HG3 LYS 88 HG3 LYS 88 49.713 50.339 31.305 729 HD2 LYS 88 HD2 LYS 88 47.661 51.153 30.109 730 HD3 LYS 88 HD3 LYS 88 48.589 51.211 28.608 731 HE2 LYS 88 HE2 LYS 88 48.305 48.635 30.212 732 HE3 LYS 88 HE3 LYS 88 46.992 49.206 29.185 733 HZ1 LYS 88 HZ1 LYS 88 48.240 48.976 27.312 734 HZ2 LYS 88 HZ2 LYS 88 49.683 49.049 28.060 735 HZ3 LYS 88 HZ3 LYS 88 48.780 47.689 28.170 736 H ILE 89 H ILE 89 46.501 52.377 31.460 737 HA ILE 89 HA ILE 89 46.941 52.266 34.405 738 HB ILE 89 HB ILE 89 44.365 52.112 32.798 739 HG12 ILE 89 HG12 ILE 89 44.234 54.303 34.475 740 HG13 ILE 89 HG13 ILE 89 45.947 54.339 34.046 741 HG21 ILE 89 HG21 ILE 89 44.629 52.180 35.798 742 HG22 ILE 89 HG22 ILE 89 43.152 52.459 34.858 743 HG23 ILE 89 HG23 ILE 89 43.934 50.882 34.756 744 HD11 ILE 89 HD11 ILE 89 43.701 54.130 32.014 745 HD12 ILE 89 HD12 ILE 89 44.422 55.666 32.551 746 HD13 ILE 89 HD13 ILE 89 45.420 54.462 31.687 747 H GLN 90 H GLN 90 46.977 50.457 35.536 748 HA GLN 90 HA GLN 90 46.354 47.875 34.264 749 HB2 GLN 90 HB2 GLN 90 48.901 48.692 35.691 750 HB3 GLN 90 HB3 GLN 90 48.408 46.990 35.587 751 HG2 GLN 90 HG2 GLN 90 48.781 48.799 33.171 752 HG3 GLN 90 HG3 GLN 90 50.041 47.747 33.830 753 HE21 GLN 90 HE22 GLN 90 47.207 47.923 31.763 754 HE22 GLN 90 HE21 GLN 90 47.294 46.219 31.345 755 H PHE 91 H PHE 91 46.376 46.268 36.353 756 HA PHE 91 HA PHE 91 44.645 47.586 38.363 757 HB2 PHE 91 HB2 PHE 91 42.594 46.453 37.667 758 HB3 PHE 91 HB3 PHE 91 43.155 47.586 36.465 759 HD1 PHE 91 HD2 PHE 91 42.662 44.005 37.245 760 HD2 PHE 91 HD1 PHE 91 43.792 46.876 34.226 761 HE1 PHE 91 HE2 PHE 91 42.207 42.338 35.449 762 HE2 PHE 91 HE1 PHE 91 43.650 45.112 32.509 763 HZ PHE 91 HZ PHE 91 42.692 42.888 33.099 764 H ARG 92 H ARG 92 44.101 46.411 40.117 765 HA ARG 92 HA ARG 92 44.754 43.501 40.171 766 HB2 ARG 92 HB2 ARG 92 44.791 45.466 42.510 767 HB3 ARG 92 HB3 ARG 92 44.864 43.724 42.659 768 HG2 ARG 92 HG2 ARG 92 46.973 43.591 41.512 769 HG3 ARG 92 HG3 ARG 92 46.895 45.297 41.016 770 HD2 ARG 92 HD2 ARG 92 47.208 46.070 43.265 771 HD3 ARG 92 HD3 ARG 92 46.828 44.444 43.921 772 HE ARG 92 HE ARG 92 49.225 44.293 42.367 773 HH11 ARG 92 HH11 ARG 92 48.114 45.556 45.546 774 HH12 ARG 92 HH12 ARG 92 49.800 45.565 46.043 775 HH21 ARG 92 HH21 ARG 92 51.042 43.811 43.567 776 HH22 ARG 92 HH22 ARG 92 51.080 44.341 45.270 777 H SER 93 H SER 93 43.227 42.164 41.087 778 HA SER 93 HA SER 93 40.446 43.207 40.973 779 HB2 SER 93 HB2 SER 93 39.900 40.839 40.425 780 HB3 SER 93 HB3 SER 93 40.995 41.646 39.279 781 HG SER 93 HG SER 93 41.592 39.721 41.139 782 H GLY 94 H GLY 94 42.621 42.733 43.340 783 HA2 GLY 94 HA2 GLY 94 41.200 42.999 45.574 784 HA3 GLY 94 HA3 GLY 94 40.925 41.277 45.247 785 H SER 95 H SER 95 42.025 41.747 47.556 786 HA SER 95 HA SER 95 45.003 41.540 47.354 787 HB2 SER 95 HB2 SER 95 43.446 41.850 49.931 788 HB3 SER 95 HB3 SER 95 45.157 42.151 49.642 789 HG SER 95 HG SER 95 43.949 44.044 49.688 790 H SER 96 H SER 96 45.600 39.417 47.165 791 HA SER 96 HA SER 96 44.579 37.178 48.498 792 HB2 SER 96 HB2 SER 96 47.484 37.985 48.114 793 HB3 SER 96 HB3 SER 96 46.923 36.416 48.718 794 HG SER 96 HG SER 96 46.865 36.005 46.716 795 H HIS 97 H HIS 97 44.828 36.380 50.700 796 HA HIS 97 HA HIS 97 46.563 37.775 52.576 797 HB2 HIS 97 HB2 HIS 97 45.038 38.418 54.185 798 HB3 HIS 97 HB3 HIS 97 44.373 38.984 52.670 799 HD2 HIS 97 HD2 HIS 97 42.750 36.485 51.688 800 HE1 HIS 97 HE1 HIS 97 40.474 37.120 55.215 801 HE2 HIS 97 HE2 HIS 97 40.467 36.095 52.895 802 H ALA 98 H ALA 98 47.102 36.447 54.439 803 HA ALA 98 HA ALA 98 46.789 33.545 53.802 804 HB1 ALA 98 HB1 ALA 98 49.007 33.343 54.860 805 HB2 ALA 98 HB2 ALA 98 48.977 34.529 53.550 806 HB3 ALA 98 HB3 ALA 98 48.963 35.071 55.258 807 HA PRO 99 HA PRO 99 44.841 32.628 57.628 808 HB2 PRO 99 HB2 PRO 99 45.590 30.105 58.202 809 HB3 PRO 99 HB3 PRO 99 44.674 30.468 56.708 810 HG2 PRO 99 HG2 PRO 99 47.651 30.140 57.023 811 HG3 PRO 99 HG3 PRO 99 46.573 29.354 55.825 812 HD2 PRO 99 HD2 PRO 99 48.027 31.626 55.262 813 HD3 PRO 99 HD3 PRO 99 46.452 31.352 54.525 814 H GLN 100 H GLN 100 45.155 32.156 59.914 815 HA GLN 100 HA GLN 100 47.840 32.649 61.101 816 HB2 GLN 100 HB2 GLN 100 45.085 33.375 62.155 817 HB3 GLN 100 HB3 GLN 100 46.604 33.534 63.022 818 HG2 GLN 100 HG2 GLN 100 47.336 35.067 60.984 819 HG3 GLN 100 HG3 GLN 100 45.646 35.035 60.546 820 HE21 GLN 100 HE22 GLN 100 45.677 37.399 60.894 821 HE22 GLN 100 HE21 GLN 100 45.641 38.010 62.552 822 H ASP 101 H ASP 101 45.283 30.258 60.857 823 HA ASP 101 HA ASP 101 46.616 28.428 62.697 824 HB2 ASP 101 HB2 ASP 101 45.357 29.279 64.421 825 HB3 ASP 101 HB3 ASP 101 43.988 29.686 63.400 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 53.528 39.533 18.198 2 H2 GLY 1 H2 GLY 1 54.360 38.498 17.195 3 H3 GLY 1 H3 GLY 1 52.887 39.056 16.804 4 HA2 GLY 1 HA2 GLY 1 54.450 40.164 15.487 5 HA3 GLY 1 HA3 GLY 1 53.568 41.271 16.538 6 H SER 2 H SER 2 54.974 42.883 17.152 7 HA SER 2 HA SER 2 57.694 42.747 16.536 8 HB2 SER 2 HB2 SER 2 56.553 44.839 18.438 9 HB3 SER 2 HB3 SER 2 57.939 44.987 17.363 10 HG SER 2 HG SER 2 55.861 44.436 15.867 11 H GLU 3 H GLU 3 56.407 41.816 19.637 12 HA GLU 3 HA GLU 3 59.040 42.389 20.957 13 HB2 GLU 3 HB2 GLU 3 56.268 42.060 22.116 14 HB3 GLU 3 HB3 GLU 3 57.753 42.355 23.044 15 HG2 GLU 3 HG2 GLU 3 57.976 44.570 21.935 16 HG3 GLU 3 HG3 GLU 3 56.513 44.250 21.012 17 H PHE 4 H PHE 4 60.203 40.766 21.618 18 HA PHE 4 HA PHE 4 59.107 38.469 23.002 19 HB2 PHE 4 HB2 PHE 4 59.055 37.778 20.619 20 HB3 PHE 4 HB3 PHE 4 60.766 38.094 20.471 21 HD1 PHE 4 HD1 PHE 4 62.390 36.524 21.660 22 HD2 PHE 4 HD2 PHE 4 58.145 35.910 21.757 23 HE1 PHE 4 HE1 PHE 4 62.753 34.174 22.376 24 HE2 PHE 4 HE2 PHE 4 58.504 33.487 22.274 25 HZ PHE 4 HZ PHE 4 60.796 32.649 22.681 26 H GLU 5 H GLU 5 61.730 40.692 22.298 27 HA GLU 5 HA GLU 5 63.625 39.252 24.052 28 HB2 GLU 5 HB2 GLU 5 65.275 40.605 23.293 29 HB3 GLU 5 HB3 GLU 5 64.284 40.363 21.863 30 HG2 GLU 5 HG2 GLU 5 63.124 42.628 22.885 31 HG3 GLU 5 HG3 GLU 5 64.717 42.743 23.624 32 H LEU 6 H LEU 6 60.992 41.200 24.662 33 HA LEU 6 HA LEU 6 62.175 42.765 26.875 34 HB2 LEU 6 HB2 LEU 6 59.363 42.775 25.790 35 HB3 LEU 6 HB3 LEU 6 60.068 43.814 27.007 36 HG LEU 6 HG LEU 6 59.991 45.152 25.164 37 HD11 LEU 6 HD11 LEU 6 62.864 44.206 25.271 38 HD12 LEU 6 HD12 LEU 6 62.265 45.724 24.596 39 HD13 LEU 6 HD13 LEU 6 62.016 45.393 26.317 40 HD21 LEU 6 HD21 LEU 6 61.370 44.292 22.973 41 HD22 LEU 6 HD22 LEU 6 60.564 42.793 23.467 42 HD23 LEU 6 HD23 LEU 6 59.629 44.287 23.212 43 H ARG 7 H ARG 7 61.029 42.833 28.742 44 HA ARG 7 HA ARG 7 60.631 40.660 30.434 45 HB2 ARG 7 HB2 ARG 7 59.177 43.338 30.470 46 HB3 ARG 7 HB3 ARG 7 59.535 42.322 31.872 47 HG2 ARG 7 HG2 ARG 7 60.979 43.954 32.185 48 HG3 ARG 7 HG3 ARG 7 62.022 42.830 31.356 49 HD2 ARG 7 HD2 ARG 7 62.385 45.151 30.532 50 HD3 ARG 7 HD3 ARG 7 61.648 44.222 29.218 51 HE ARG 7 HE ARG 7 59.677 45.545 30.922 52 HH11 ARG 7 HH11 ARG 7 61.798 46.687 28.377 53 HH12 ARG 7 HH12 ARG 7 60.498 47.622 27.668 54 HH21 ARG 7 HH21 ARG 7 58.169 46.634 29.907 55 HH22 ARG 7 HH22 ARG 7 58.563 47.566 28.477 56 H ARG 8 H ARG 8 58.849 39.349 30.972 57 HA ARG 8 HA ARG 8 56.437 39.403 29.236 58 HB2 ARG 8 HB2 ARG 8 56.764 37.148 28.593 59 HB3 ARG 8 HB3 ARG 8 58.279 38.032 28.328 60 HG2 ARG 8 HG2 ARG 8 59.122 37.079 30.495 61 HG3 ARG 8 HG3 ARG 8 57.652 36.061 30.541 62 HD2 ARG 8 HD2 ARG 8 58.247 35.112 28.329 63 HD3 ARG 8 HD3 ARG 8 59.662 36.148 28.269 64 HE ARG 8 HE ARG 8 59.622 34.459 30.694 65 HH11 ARG 8 HH11 ARG 8 60.364 34.308 27.230 66 HH12 ARG 8 HH12 ARG 8 61.508 33.029 27.493 67 HH21 ARG 8 HH21 ARG 8 60.958 32.776 30.837 68 HH22 ARG 8 HH22 ARG 8 61.653 32.002 29.447 69 H GLN 9 H GLN 9 56.738 39.793 32.351 70 HA GLN 9 HA GLN 9 54.853 37.758 33.347 71 HB2 GLN 9 HB2 GLN 9 55.650 40.443 34.537 72 HB3 GLN 9 HB3 GLN 9 54.640 39.276 35.334 73 HG2 GLN 9 HG2 GLN 9 57.557 38.800 34.540 74 HG3 GLN 9 HG3 GLN 9 56.922 39.054 36.172 75 HE21 GLN 9 HE22 GLN 9 55.628 37.503 37.162 76 HE22 GLN 9 HE21 GLN 9 55.736 35.820 36.703 77 H GLN 10 H GLN 10 52.598 38.424 34.147 78 HA GLN 10 HA GLN 10 51.291 39.584 31.873 79 HB2 GLN 10 HB2 GLN 10 49.195 38.942 32.858 80 HB3 GLN 10 HB3 GLN 10 50.383 37.646 32.810 81 HG2 GLN 10 HG2 GLN 10 50.791 38.059 35.304 82 HG3 GLN 10 HG3 GLN 10 49.455 39.200 35.247 83 HE21 GLN 10 HE22 GLN 10 50.170 35.658 34.522 84 HE22 GLN 10 HE21 GLN 10 48.600 35.182 35.152 85 H ALA 11 H ALA 11 50.566 40.703 35.216 86 HA ALA 11 HA ALA 11 51.012 43.452 34.507 87 HB1 ALA 11 HB1 ALA 11 48.839 44.312 34.332 88 HB2 ALA 11 HB2 ALA 11 48.738 42.843 33.348 89 HB3 ALA 11 HB3 ALA 11 48.080 42.854 34.997 90 H LEU 12 H LEU 12 50.015 44.949 36.165 91 HA LEU 12 HA LEU 12 50.527 44.068 38.956 92 HB2 LEU 12 HB2 LEU 12 50.547 46.736 37.510 93 HB3 LEU 12 HB3 LEU 12 51.115 46.516 39.156 94 HG LEU 12 HG LEU 12 52.330 45.425 36.590 95 HD11 LEU 12 HD11 LEU 12 54.321 46.608 37.143 96 HD12 LEU 12 HD12 LEU 12 52.989 47.769 37.158 97 HD13 LEU 12 HD13 LEU 12 53.634 47.162 38.702 98 HD21 LEU 12 HD21 LEU 12 53.134 44.832 39.479 99 HD22 LEU 12 HD22 LEU 12 52.566 43.661 38.275 100 HD23 LEU 12 HD23 LEU 12 54.132 44.461 38.054 101 H ALA 13 H ALA 13 49.341 44.765 40.603 102 HA ALA 13 HA ALA 13 47.175 46.683 40.155 103 HB1 ALA 13 HB1 ALA 13 46.147 44.479 39.770 104 HB2 ALA 13 HB2 ALA 13 46.698 43.924 41.357 105 HB3 ALA 13 HB3 ALA 13 45.501 45.258 41.219 106 H GLU 14 H GLU 14 48.738 44.688 42.729 107 HA GLU 14 HA GLU 14 49.277 45.021 44.885 108 HB2 GLU 14 HB2 GLU 14 50.622 46.759 43.328 109 HB3 GLU 14 HB3 GLU 14 49.857 47.919 44.401 110 HG2 GLU 14 HG2 GLU 14 50.717 46.233 46.288 111 HG3 GLU 14 HG3 GLU 14 51.689 45.572 45.001 112 H ALA 15 H ALA 15 46.632 46.812 43.978 113 HA ALA 15 HA ALA 15 45.475 46.874 46.675 114 HB1 ALA 15 HB1 ALA 15 44.890 49.379 46.002 115 HB2 ALA 15 HB2 ALA 15 46.542 49.057 46.603 116 HB3 ALA 15 HB3 ALA 15 46.232 49.186 44.866 117 H ASP 16 H ASP 16 43.142 47.553 46.509 118 HA ASP 16 HA ASP 16 41.909 47.243 43.802 119 HB2 ASP 16 HB2 ASP 16 40.778 46.326 46.454 120 HB3 ASP 16 HB3 ASP 16 40.041 46.064 44.871 121 H ARG 17 H ARG 17 41.811 48.991 46.882 122 HA ARG 17 HA ARG 17 39.619 50.813 46.017 123 HB2 ARG 17 HB2 ARG 17 41.400 50.922 48.510 124 HB3 ARG 17 HB3 ARG 17 39.942 51.825 48.253 125 HG2 ARG 17 HG2 ARG 17 40.092 48.821 48.740 126 HG3 ARG 17 HG3 ARG 17 39.451 50.063 49.797 127 HD2 ARG 17 HD2 ARG 17 37.801 50.667 47.907 128 HD3 ARG 17 HD3 ARG 17 38.300 49.172 47.115 129 HE ARG 17 HE ARG 17 37.154 47.885 48.700 130 HH11 ARG 17 HH11 ARG 17 36.769 51.254 49.635 131 HH12 ARG 17 HH12 ARG 17 36.048 50.768 51.142 132 HH21 ARG 17 HH21 ARG 17 36.545 47.409 50.623 133 HH22 ARG 17 HH22 ARG 17 36.015 48.659 51.736 134 H THR 18 H THR 18 42.904 50.386 45.709 135 HA THR 18 HA THR 18 43.273 53.198 44.792 136 HB THR 18 HB THR 18 45.509 51.602 46.061 137 HG1 THR 18 HG1 THR 18 45.102 52.938 47.775 138 HG21 THR 18 HG21 THR 18 45.277 54.615 45.634 139 HG22 THR 18 HG22 THR 18 46.727 53.637 45.951 140 HG23 THR 18 HG23 THR 18 45.943 53.557 44.381 141 H LEU 19 H LEU 19 44.063 53.409 42.854 142 HA LEU 19 HA LEU 19 44.163 50.965 41.226 143 HB2 LEU 19 HB2 LEU 19 42.396 52.488 40.701 144 HB3 LEU 19 HB3 LEU 19 43.500 53.883 40.672 145 HG LEU 19 HG LEU 19 44.605 52.980 38.667 146 HD11 LEU 19 HD11 LEU 19 43.420 51.177 37.400 147 HD12 LEU 19 HD12 LEU 19 44.024 50.564 38.946 148 HD13 LEU 19 HD13 LEU 19 42.311 50.972 38.795 149 HD21 LEU 19 HD21 LEU 19 43.039 53.668 37.087 150 HD22 LEU 19 HD22 LEU 19 41.636 53.288 38.099 151 HD23 LEU 19 HD23 LEU 19 42.702 54.632 38.534 152 H PHE 20 H PHE 20 45.776 50.295 40.103 153 HA PHE 20 HA PHE 20 48.335 51.573 40.220 154 HB2 PHE 20 HB2 PHE 20 47.825 49.146 40.407 155 HB3 PHE 20 HB3 PHE 20 47.392 49.118 38.682 156 HD1 PHE 20 HD1 PHE 20 49.337 50.017 37.012 157 HD2 PHE 20 HD2 PHE 20 49.945 48.797 41.105 158 HE1 PHE 20 HE1 PHE 20 51.766 50.392 36.762 159 HE2 PHE 20 HE2 PHE 20 52.389 49.094 40.824 160 HZ PHE 20 HZ PHE 20 53.298 49.926 38.665 161 H VAL 21 H VAL 21 49.362 52.777 38.736 162 HA VAL 21 HA VAL 21 48.577 52.769 35.895 163 HB VAL 21 HB VAL 21 48.747 55.242 37.658 164 HG11 VAL 21 HG11 VAL 21 49.385 55.593 35.235 165 HG12 VAL 21 HG12 VAL 21 47.804 54.941 34.769 166 HG13 VAL 21 HG13 VAL 21 47.915 56.444 35.745 167 HG21 VAL 21 HG21 VAL 21 46.279 53.849 36.533 168 HG22 VAL 21 HG22 VAL 21 46.624 54.248 38.226 169 HG23 VAL 21 HG23 VAL 21 46.273 55.538 37.103 170 H GLY 22 H GLY 22 50.319 52.776 34.729 171 HA2 GLY 22 HA2 GLY 22 52.960 53.744 35.733 172 HA3 GLY 22 HA3 GLY 22 52.864 52.169 35.029 173 H ASN 23 H ASN 23 54.497 53.543 33.665 174 HA ASN 23 HA ASN 23 55.166 54.340 31.680 175 HB2 ASN 23 HB2 ASN 23 52.986 53.038 30.885 176 HB3 ASN 23 HB3 ASN 23 52.371 54.645 30.637 177 HD21 ASN 23 HD21 ASN 23 52.335 54.750 28.476 178 HD22 ASN 23 HD22 ASN 23 53.680 54.464 27.391 179 H LEU 24 H LEU 24 54.261 55.988 33.993 180 HA LEU 24 HA LEU 24 53.005 58.471 33.301 181 HB2 LEU 24 HB2 LEU 24 54.972 57.714 35.507 182 HB3 LEU 24 HB3 LEU 24 54.272 59.277 35.286 183 HG LEU 24 HG LEU 24 53.328 57.513 37.041 184 HD11 LEU 24 HD11 LEU 24 51.617 59.309 35.361 185 HD12 LEU 24 HD12 LEU 24 51.119 58.573 36.921 186 HD13 LEU 24 HD13 LEU 24 52.470 59.700 36.881 187 HD21 LEU 24 HD21 LEU 24 52.761 55.756 35.276 188 HD22 LEU 24 HD22 LEU 24 51.332 56.272 36.200 189 HD23 LEU 24 HD23 LEU 24 51.625 56.878 34.558 190 H GLU 25 H GLU 25 53.822 60.361 32.520 191 HA GLU 25 HA GLU 25 56.354 60.435 31.379 192 HB2 GLU 25 HB2 GLU 25 54.147 62.264 32.152 193 HB3 GLU 25 HB3 GLU 25 55.651 63.112 31.745 194 HG2 GLU 25 HG2 GLU 25 55.466 62.555 29.481 195 HG3 GLU 25 HG3 GLU 25 54.775 61.025 29.778 196 H THR 26 H THR 26 57.942 62.105 31.651 197 HA THR 26 HA THR 26 59.477 61.497 33.993 198 HB THR 26 HB THR 26 61.201 62.862 32.929 199 HG1 THR 26 HG1 THR 26 60.648 64.027 31.166 200 HG21 THR 26 HG21 THR 26 59.655 61.257 30.852 201 HG22 THR 26 HG22 THR 26 61.279 61.903 30.628 202 HG23 THR 26 HG23 THR 26 60.997 60.687 31.899 203 H LYS 27 H LYS 27 57.590 64.231 32.931 204 HA LYS 27 HA LYS 27 58.098 66.008 35.264 205 HB2 LYS 27 HB2 LYS 27 58.318 66.612 32.737 206 HB3 LYS 27 HB3 LYS 27 56.569 66.599 32.720 207 HG2 LYS 27 HG2 LYS 27 57.132 68.854 32.883 208 HG3 LYS 27 HG3 LYS 27 56.653 68.479 34.501 209 HD2 LYS 27 HD2 LYS 27 58.587 69.881 34.516 210 HD3 LYS 27 HD3 LYS 27 59.010 68.298 35.211 211 HE2 LYS 27 HE2 LYS 27 60.305 67.716 33.313 212 HE3 LYS 27 HE3 LYS 27 59.665 69.039 32.344 213 HZ1 LYS 27 HZ1 LYS 27 60.820 70.607 33.694 214 HZ2 LYS 27 HZ2 LYS 27 61.268 69.483 34.785 215 HZ3 LYS 27 HZ3 LYS 27 61.887 69.453 33.290 216 H VAL 28 H VAL 28 55.980 63.590 34.936 217 HA VAL 28 HA VAL 28 53.412 64.676 35.149 218 HB VAL 28 HB VAL 28 54.139 62.300 34.672 219 HG11 VAL 28 HG11 VAL 28 55.629 62.227 36.746 220 HG12 VAL 28 HG12 VAL 28 54.136 61.986 37.692 221 HG13 VAL 28 HG13 VAL 28 54.673 60.777 36.496 222 HG21 VAL 28 HG21 VAL 28 51.980 62.358 36.781 223 HG22 VAL 28 HG22 VAL 28 51.761 63.174 35.227 224 HG23 VAL 28 HG23 VAL 28 52.064 61.453 35.227 225 H THR 29 H THR 29 51.949 64.536 37.132 226 HA THR 29 HA THR 29 53.055 64.825 39.836 227 HB THR 29 HB THR 29 51.878 67.133 40.048 228 HG1 THR 29 HG1 THR 29 51.822 68.245 38.292 229 HG21 THR 29 HG21 THR 29 54.429 67.354 38.491 230 HG22 THR 29 HG22 THR 29 53.904 68.238 39.958 231 HG23 THR 29 HG23 THR 29 54.433 66.585 40.100 232 H GLU 30 H GLU 30 51.391 65.208 41.456 233 HA GLU 30 HA GLU 30 49.112 63.599 41.026 234 HB2 GLU 30 HB2 GLU 30 49.319 65.652 43.277 235 HB3 GLU 30 HB3 GLU 30 48.319 64.209 43.231 236 HG2 GLU 30 HG2 GLU 30 50.386 62.795 43.075 237 HG3 GLU 30 HG3 GLU 30 51.355 64.273 43.236 238 H GLU 31 H GLU 31 49.589 66.978 40.332 239 HA GLU 31 HA GLU 31 46.825 67.844 40.189 240 HB2 GLU 31 HB2 GLU 31 49.301 68.941 38.821 241 HB3 GLU 31 HB3 GLU 31 47.731 69.742 38.893 242 HG2 GLU 31 HG2 GLU 31 47.772 69.536 41.404 243 HG3 GLU 31 HG3 GLU 31 49.467 69.109 41.293 244 H LEU 32 H LEU 32 49.125 66.584 37.757 245 HA LEU 32 HA LEU 32 47.197 66.752 35.574 246 HB2 LEU 32 HB2 LEU 32 49.497 66.959 35.002 247 HB3 LEU 32 HB3 LEU 32 49.952 65.496 35.878 248 HG LEU 32 HG LEU 32 48.941 64.066 34.174 249 HD11 LEU 32 HD11 LEU 32 48.381 66.684 32.672 250 HD12 LEU 32 HD12 LEU 32 48.077 65.053 32.036 251 HD13 LEU 32 HD13 LEU 32 47.084 65.678 33.337 252 HD21 LEU 32 HD21 LEU 32 51.292 64.928 33.954 253 HD22 LEU 32 HD22 LEU 32 50.553 64.632 32.381 254 HD23 LEU 32 HD23 LEU 32 50.658 66.293 33.014 255 H LEU 33 H LEU 33 48.286 64.094 37.741 256 HA LEU 33 HA LEU 33 46.654 62.146 36.413 257 HB2 LEU 33 HB2 LEU 33 47.318 62.360 39.334 258 HB3 LEU 33 HB3 LEU 33 46.779 60.879 38.508 259 HG LEU 33 HG LEU 33 49.435 62.272 37.961 260 HD11 LEU 33 HD11 LEU 33 48.814 59.851 39.692 261 HD12 LEU 33 HD12 LEU 33 50.388 60.120 38.905 262 HD13 LEU 33 HD13 LEU 33 49.749 61.305 40.053 263 HD21 LEU 33 HD21 LEU 33 48.351 59.667 36.860 264 HD22 LEU 33 HD22 LEU 33 48.531 61.216 35.982 265 HD23 LEU 33 HD23 LEU 33 49.956 60.396 36.533 266 H PHE 34 H PHE 34 45.920 64.402 39.121 267 HA PHE 34 HA PHE 34 43.243 63.671 39.546 268 HB2 PHE 34 HB2 PHE 34 44.680 65.265 40.925 269 HB3 PHE 34 HB3 PHE 34 44.378 66.502 39.728 270 HD1 PHE 34 HD2 PHE 34 42.966 64.469 42.437 271 HD2 PHE 34 HD1 PHE 34 42.146 67.583 39.576 272 HE1 PHE 34 HE2 PHE 34 41.055 65.225 43.809 273 HE2 PHE 34 HE1 PHE 34 40.265 68.380 40.991 274 HZ PHE 34 HZ PHE 34 39.792 67.248 43.173 275 H GLU 35 H GLU 35 44.397 66.198 37.185 276 HA GLU 35 HA GLU 35 41.658 66.523 36.288 277 HB2 GLU 35 HB2 GLU 35 42.316 67.907 34.568 278 HB3 GLU 35 HB3 GLU 35 43.186 68.372 36.038 279 HG2 GLU 35 HG2 GLU 35 45.236 67.371 35.073 280 HG3 GLU 35 HG3 GLU 35 44.333 66.915 33.623 281 H LEU 36 H LEU 36 44.274 64.385 35.255 282 HA LEU 36 HA LEU 36 43.026 63.568 32.831 283 HB2 LEU 36 HB2 LEU 36 45.357 63.364 33.161 284 HB3 LEU 36 HB3 LEU 36 45.146 62.383 34.623 285 HG LEU 36 HG LEU 36 43.975 61.305 32.070 286 HD11 LEU 36 HD11 LEU 36 46.934 61.368 32.709 287 HD12 LEU 36 HD12 LEU 36 46.124 60.300 31.504 288 HD13 LEU 36 HD13 LEU 36 46.118 62.080 31.303 289 HD21 LEU 36 HD21 LEU 36 44.859 59.182 33.110 290 HD22 LEU 36 HD22 LEU 36 45.620 60.153 34.378 291 HD23 LEU 36 HD23 LEU 36 43.845 60.075 34.265 292 H PHE 37 H PHE 37 42.924 62.138 36.155 293 HA PHE 37 HA PHE 37 40.919 60.167 35.309 294 HB2 PHE 37 HB2 PHE 37 42.290 60.677 37.932 295 HB3 PHE 37 HB3 PHE 37 41.167 59.343 37.636 296 HD1 PHE 37 HD2 PHE 37 41.772 57.977 35.300 297 HD2 PHE 37 HD1 PHE 37 44.488 60.044 37.918 298 HE1 PHE 37 HE2 PHE 37 43.666 56.519 34.517 299 HE2 PHE 37 HE1 PHE 37 46.356 58.623 37.121 300 HZ PHE 37 HZ PHE 37 45.912 56.872 35.352 301 H HIS 38 H HIS 38 40.425 63.377 35.790 302 HA HIS 38 HA HIS 38 38.311 63.602 37.684 303 HB2 HIS 38 HB2 HIS 38 39.300 65.573 36.676 304 HB3 HIS 38 HB3 HIS 38 38.871 65.001 35.060 305 HD2 HIS 38 HD2 HIS 38 37.034 66.315 34.109 306 HE1 HIS 38 HE1 HIS 38 34.638 66.995 37.566 307 HE2 HIS 38 HE2 HIS 38 34.824 67.393 35.086 308 H GLN 39 H GLN 39 38.031 62.884 34.175 309 HA GLN 39 HA GLN 39 35.218 62.396 34.310 310 HB2 GLN 39 HB2 GLN 39 37.433 61.819 32.320 311 HB3 GLN 39 HB3 GLN 39 35.771 61.368 31.982 312 HG2 GLN 39 HG2 GLN 39 35.065 63.760 32.171 313 HG3 GLN 39 HG3 GLN 39 36.713 64.224 32.569 314 HE21 GLN 39 HE22 GLN 39 35.160 65.304 30.274 315 HE22 GLN 39 HE21 GLN 39 35.994 64.698 28.843 316 H ALA 40 H ALA 40 37.658 60.404 35.529 317 HA ALA 40 HA ALA 40 36.526 57.919 34.388 318 HB1 ALA 40 HB1 ALA 40 39.261 58.599 35.477 319 HB2 ALA 40 HB2 ALA 40 38.758 56.909 35.293 320 HB3 ALA 40 HB3 ALA 40 38.826 57.925 33.881 321 H GLY 41 H GLY 41 34.968 59.067 36.294 322 HA2 GLY 41 HA2 GLY 41 33.586 58.192 37.924 323 HA3 GLY 41 HA3 GLY 41 34.700 56.850 38.142 324 HA PRO 42 HA PRO 42 34.838 59.783 41.646 325 HB2 PRO 42 HB2 PRO 42 34.117 58.232 43.760 326 HB3 PRO 42 HB3 PRO 42 32.960 58.937 42.609 327 HG2 PRO 42 HG2 PRO 42 33.977 56.103 42.697 328 HG3 PRO 42 HG3 PRO 42 32.344 56.670 42.285 329 HD2 PRO 42 HD2 PRO 42 34.274 55.960 40.424 330 HD3 PRO 42 HD3 PRO 42 32.933 57.057 40.067 331 H VAL 43 H VAL 43 37.075 59.973 41.236 332 HA VAL 43 HA VAL 43 39.126 58.573 42.804 333 HB VAL 43 HB VAL 43 39.256 61.301 41.430 334 HG11 VAL 43 HG11 VAL 43 41.639 59.821 42.632 335 HG12 VAL 43 HG12 VAL 43 41.637 61.341 41.736 336 HG13 VAL 43 HG13 VAL 43 40.893 61.282 43.309 337 HG21 VAL 43 HG21 VAL 43 40.686 60.141 39.815 338 HG22 VAL 43 HG22 VAL 43 40.441 58.601 40.684 339 HG23 VAL 43 HG23 VAL 43 39.075 59.410 39.883 340 H ILE 44 H ILE 44 39.597 58.830 44.824 341 HA ILE 44 HA ILE 44 38.335 60.879 46.524 342 HB ILE 44 HB ILE 44 40.097 58.475 47.127 343 HG12 ILE 44 HG12 ILE 44 37.119 59.027 47.145 344 HG13 ILE 44 HG13 ILE 44 37.959 57.678 46.433 345 HG21 ILE 44 HG21 ILE 44 38.873 60.468 49.062 346 HG22 ILE 44 HG22 ILE 44 39.652 58.930 49.539 347 HG23 ILE 44 HG23 ILE 44 40.596 60.162 48.770 348 HD11 ILE 44 HD11 ILE 44 37.137 58.162 49.273 349 HD12 ILE 44 HD12 ILE 44 36.849 56.735 48.233 350 HD13 ILE 44 HD13 ILE 44 38.429 56.983 48.978 351 H LYS 45 H LYS 45 41.551 59.598 45.823 352 HA LYS 45 HA LYS 45 42.859 62.182 46.006 353 HB2 LYS 45 HB2 LYS 45 44.293 61.862 47.843 354 HB3 LYS 45 HB3 LYS 45 42.733 61.391 48.447 355 HG2 LYS 45 HG2 LYS 45 43.745 58.985 47.488 356 HG3 LYS 45 HG3 LYS 45 45.190 59.776 48.091 357 HD2 LYS 45 HD2 LYS 45 42.601 59.066 49.490 358 HD3 LYS 45 HD3 LYS 45 44.179 58.330 49.779 359 HE2 LYS 45 HE2 LYS 45 43.541 61.202 50.568 360 HE3 LYS 45 HE3 LYS 45 43.161 59.827 51.564 361 HZ1 LYS 45 HZ1 LYS 45 45.302 60.812 52.092 362 HZ2 LYS 45 HZ2 LYS 45 45.556 59.260 51.643 363 HZ3 LYS 45 HZ3 LYS 45 45.880 60.543 50.660 364 H VAL 46 H VAL 46 45.045 62.178 45.334 365 HA VAL 46 HA VAL 46 45.835 59.854 43.609 366 HB VAL 46 HB VAL 46 46.395 62.835 43.320 367 HG11 VAL 46 HG11 VAL 46 47.194 60.639 41.394 368 HG12 VAL 46 HG12 VAL 46 47.425 62.432 41.241 369 HG13 VAL 46 HG13 VAL 46 48.317 61.545 42.431 370 HG21 VAL 46 HG21 VAL 46 44.096 62.407 42.646 371 HG22 VAL 46 HG22 VAL 46 45.067 62.730 41.228 372 HG23 VAL 46 HG23 VAL 46 44.597 61.060 41.600 373 H LYS 47 H LYS 47 47.932 59.046 43.709 374 HA LYS 47 HA LYS 47 49.923 60.384 45.468 375 HB2 LYS 47 HB2 LYS 47 49.204 58.448 46.645 376 HB3 LYS 47 HB3 LYS 47 49.187 57.458 45.191 377 HG2 LYS 47 HG2 LYS 47 51.023 56.769 46.570 378 HG3 LYS 47 HG3 LYS 47 51.623 57.480 45.073 379 HD2 LYS 47 HD2 LYS 47 51.948 59.650 46.554 380 HD3 LYS 47 HD3 LYS 47 51.642 58.568 47.913 381 HE2 LYS 47 HE2 LYS 47 53.515 57.100 47.217 382 HE3 LYS 47 HE3 LYS 47 53.827 58.080 45.823 383 HZ1 LYS 47 HZ1 LYS 47 54.560 58.597 48.571 384 HZ2 LYS 47 HZ2 LYS 47 55.286 59.057 47.229 385 HZ3 LYS 47 HZ3 LYS 47 54.026 59.914 47.769 386 H ILE 48 H ILE 48 51.731 60.850 44.791 387 HA ILE 48 HA ILE 48 52.941 59.661 42.337 388 HB ILE 48 HB ILE 48 52.870 62.505 43.302 389 HG12 ILE 48 HG12 ILE 48 51.415 61.483 41.453 390 HG13 ILE 48 HG13 ILE 48 52.286 63.000 41.095 391 HG21 ILE 48 HG21 ILE 48 55.203 61.323 41.836 392 HG22 ILE 48 HG22 ILE 48 54.714 63.044 41.647 393 HG23 ILE 48 HG23 ILE 48 55.188 62.428 43.222 394 HD11 ILE 48 HD11 ILE 48 53.069 60.263 40.056 395 HD12 ILE 48 HD12 ILE 48 52.277 61.594 39.181 396 HD13 ILE 48 HD13 ILE 48 53.925 61.811 39.780 397 HA PRO 49 HA PRO 49 56.116 58.569 45.356 398 HB2 PRO 49 HB2 PRO 49 57.509 56.876 43.622 399 HB3 PRO 49 HB3 PRO 49 56.085 56.392 44.594 400 HG2 PRO 49 HG2 PRO 49 56.267 57.242 41.677 401 HG3 PRO 49 HG3 PRO 49 55.339 55.884 42.336 402 HD2 PRO 49 HD2 PRO 49 54.280 58.294 41.710 403 HD3 PRO 49 HD3 PRO 49 53.630 57.372 43.093 404 H LYS 50 H LYS 50 58.578 58.536 45.199 405 HA LYS 50 HA LYS 50 59.881 60.006 43.096 406 HB2 LYS 50 HB2 LYS 50 59.442 61.334 45.788 407 HB3 LYS 50 HB3 LYS 50 60.962 61.549 44.924 408 HG2 LYS 50 HG2 LYS 50 59.090 61.895 42.896 409 HG3 LYS 50 HG3 LYS 50 58.288 62.670 44.249 410 HD2 LYS 50 HD2 LYS 50 60.189 64.154 44.594 411 HD3 LYS 50 HD3 LYS 50 61.137 63.290 43.373 412 HE2 LYS 50 HE2 LYS 50 59.122 63.667 41.759 413 HE3 LYS 50 HE3 LYS 50 58.523 64.808 42.967 414 HZ1 LYS 50 HZ1 LYS 50 60.603 65.958 42.742 415 HZ2 LYS 50 HZ2 LYS 50 61.097 64.990 41.518 416 HZ3 LYS 50 HZ3 LYS 50 59.754 65.988 41.376 417 H ASP 51 H ASP 51 61.300 58.487 42.738 418 HA ASP 51 HA ASP 51 62.779 56.646 44.053 419 HB2 ASP 51 HB2 ASP 51 62.725 57.093 41.646 420 HB3 ASP 51 HB3 ASP 51 63.682 58.562 41.867 421 H LYS 52 H LYS 52 64.962 56.397 44.685 422 HA LYS 52 HA LYS 52 66.133 58.126 46.508 423 HB2 LYS 52 HB2 LYS 52 68.213 56.939 46.123 424 HB3 LYS 52 HB3 LYS 52 66.894 55.772 46.082 425 HG2 LYS 52 HG2 LYS 52 67.836 55.026 44.216 426 HG3 LYS 52 HG3 LYS 52 67.096 56.397 43.407 427 HD2 LYS 52 HD2 LYS 52 69.132 57.721 43.521 428 HD3 LYS 52 HD3 LYS 52 69.900 56.588 44.626 429 HE2 LYS 52 HE2 LYS 52 70.197 54.950 43.035 430 HE3 LYS 52 HE3 LYS 52 68.920 55.576 41.966 431 HZ1 LYS 52 HZ1 LYS 52 71.150 56.089 41.103 432 HZ2 LYS 52 HZ2 LYS 52 70.336 57.474 41.513 433 HZ3 LYS 52 HZ3 LYS 52 71.472 56.931 42.478 434 H ASP 53 H ASP 53 66.437 58.427 42.927 435 HA ASP 53 HA ASP 53 68.022 60.830 43.373 436 HB2 ASP 53 HB2 ASP 53 68.360 59.131 41.474 437 HB3 ASP 53 HB3 ASP 53 66.962 59.860 40.709 438 H GLY 54 H GLY 54 64.615 60.293 43.301 439 HA2 GLY 54 HA2 GLY 54 63.098 62.010 43.862 440 HA3 GLY 54 HA3 GLY 54 64.152 63.216 43.168 441 H LYS 55 H LYS 55 62.675 60.208 41.894 442 HA LYS 55 HA LYS 55 61.037 61.721 39.930 443 HB2 LYS 55 HB2 LYS 55 63.263 60.906 39.000 444 HB3 LYS 55 HB3 LYS 55 62.678 59.257 39.238 445 HG2 LYS 55 HG2 LYS 55 62.334 59.645 36.985 446 HG3 LYS 55 HG3 LYS 55 60.744 59.820 37.663 447 HD2 LYS 55 HD2 LYS 55 60.659 61.823 36.523 448 HD3 LYS 55 HD3 LYS 55 61.722 62.451 37.768 449 HE2 LYS 55 HE2 LYS 55 63.662 61.466 36.280 450 HE3 LYS 55 HE3 LYS 55 62.432 61.277 35.035 451 HZ1 LYS 55 HZ1 LYS 55 62.077 63.781 35.334 452 HZ2 LYS 55 HZ2 LYS 55 63.353 63.762 36.310 453 HZ3 LYS 55 HZ3 LYS 55 63.567 63.348 34.770 454 HA PRO 56 HA PRO 56 57.905 58.827 41.217 455 HB2 PRO 56 HB2 PRO 56 56.092 59.065 39.127 456 HB3 PRO 56 HB3 PRO 56 56.273 60.266 40.439 457 HG2 PRO 56 HG2 PRO 56 57.535 60.181 37.714 458 HG3 PRO 56 HG3 PRO 56 56.794 61.628 38.530 459 HD2 PRO 56 HD2 PRO 56 59.462 61.306 38.431 460 HD3 PRO 56 HD3 PRO 56 58.717 61.908 39.921 461 H LYS 57 H LYS 57 60.092 57.919 39.160 462 HA LYS 57 HA LYS 57 60.666 55.973 37.946 463 HB2 LYS 57 HB2 LYS 57 58.558 54.749 39.768 464 HB3 LYS 57 HB3 LYS 57 60.009 53.940 39.111 465 HG2 LYS 57 HG2 LYS 57 60.881 54.332 41.090 466 HG3 LYS 57 HG3 LYS 57 61.111 55.993 40.524 467 HD2 LYS 57 HD2 LYS 57 59.103 56.756 41.662 468 HD3 LYS 57 HD3 LYS 57 58.570 55.102 42.008 469 HE2 LYS 57 HE2 LYS 57 61.327 55.766 42.813 470 HE3 LYS 57 HE3 LYS 57 60.092 56.697 43.684 471 HZ1 LYS 57 HZ1 LYS 57 60.623 54.635 44.831 472 HZ2 LYS 57 HZ2 LYS 57 59.075 54.575 44.340 473 HZ3 LYS 57 HZ3 LYS 57 60.248 53.746 43.564 474 H GLN 58 H GLN 58 58.422 57.481 36.773 475 HA GLN 58 HA GLN 58 56.953 57.385 35.257 476 HB2 GLN 58 HB2 GLN 58 58.291 54.847 34.369 477 HB3 GLN 58 HB3 GLN 58 57.007 55.735 33.524 478 HG2 GLN 58 HG2 GLN 58 58.727 57.800 33.833 479 HG3 GLN 58 HG3 GLN 58 59.935 56.519 33.954 480 HE21 GLN 58 HE22 GLN 58 57.621 58.130 31.952 481 HE22 GLN 58 HE21 GLN 58 57.692 57.006 30.605 482 H PHE 59 H PHE 59 55.996 56.497 37.774 483 HA PHE 59 HA PHE 59 53.578 55.057 37.074 484 HB2 PHE 59 HB2 PHE 59 53.739 53.141 38.266 485 HB3 PHE 59 HB3 PHE 59 55.221 53.291 37.347 486 HD1 PHE 59 HD1 PHE 59 53.895 53.893 40.855 487 HD2 PHE 59 HD2 PHE 59 57.236 52.898 38.340 488 HE1 PHE 59 HE1 PHE 59 55.216 53.267 42.859 489 HE2 PHE 59 HE2 PHE 59 58.512 52.151 40.333 490 HZ PHE 59 HZ PHE 59 57.499 52.296 42.589 491 H ALA 60 H ALA 60 52.033 54.877 38.900 492 HA ALA 60 HA ALA 60 52.321 56.593 41.251 493 HB1 ALA 60 HB1 ALA 60 52.165 58.280 39.492 494 HB2 ALA 60 HB2 ALA 60 50.656 57.504 38.898 495 HB3 ALA 60 HB3 ALA 60 50.725 58.269 40.512 496 H PHE 61 H PHE 61 50.135 56.926 42.347 497 HA PHE 61 HA PHE 61 48.260 54.697 41.777 498 HB2 PHE 61 HB2 PHE 61 49.536 55.373 44.425 499 HB3 PHE 61 HB3 PHE 61 47.943 54.702 44.361 500 HD1 PHE 61 HD1 PHE 61 47.607 52.328 43.422 501 HD2 PHE 61 HD2 PHE 61 51.480 54.202 43.256 502 HE1 PHE 61 HE1 PHE 61 48.665 50.130 42.985 503 HE2 PHE 61 HE2 PHE 61 52.505 52.031 42.737 504 HZ PHE 61 HZ PHE 61 51.132 49.941 42.831 505 H VAL 62 H VAL 62 46.102 54.941 42.506 506 HA VAL 62 HA VAL 62 45.199 57.713 43.009 507 HB VAL 62 HB VAL 62 44.063 56.141 40.638 508 HG11 VAL 62 HG11 VAL 62 43.603 58.864 41.902 509 HG12 VAL 62 HG12 VAL 62 42.933 58.409 40.319 510 HG13 VAL 62 HG13 VAL 62 42.427 57.527 41.773 511 HG21 VAL 62 HG21 VAL 62 45.808 58.623 40.776 512 HG22 VAL 62 HG22 VAL 62 46.297 57.035 40.115 513 HG23 VAL 62 HG23 VAL 62 45.036 57.984 39.296 514 H ASN 63 H ASN 63 43.970 57.543 44.744 515 HA ASN 63 HA ASN 63 42.608 55.053 45.391 516 HB2 ASN 63 HB2 ASN 63 43.707 56.812 47.018 517 HB3 ASN 63 HB3 ASN 63 42.261 57.758 46.703 518 HD21 ASN 63 HD22 ASN 63 43.022 54.281 47.542 519 HD22 ASN 63 HD21 ASN 63 41.785 54.220 48.773 520 H PHE 64 H PHE 64 40.661 54.534 44.774 521 HA PHE 64 HA PHE 64 38.679 56.604 44.028 522 HB2 PHE 64 HB2 PHE 64 37.919 55.322 42.149 523 HB3 PHE 64 HB3 PHE 64 39.487 56.072 41.934 524 HD1 PHE 64 HD1 PHE 64 40.093 53.009 43.776 525 HD2 PHE 64 HD2 PHE 64 39.027 54.614 39.909 526 HE1 PHE 64 HE1 PHE 64 40.578 50.833 42.728 527 HE2 PHE 64 HE2 PHE 64 39.619 52.462 38.855 528 HZ PHE 64 HZ PHE 64 40.233 50.515 40.283 529 H LYS 65 H LYS 65 36.617 56.095 44.297 530 HA LYS 65 HA LYS 65 36.200 54.541 46.689 531 HB2 LYS 65 HB2 LYS 65 35.236 56.697 46.460 532 HB3 LYS 65 HB3 LYS 65 34.278 56.227 45.047 533 HG2 LYS 65 HG2 LYS 65 32.977 54.658 46.329 534 HG3 LYS 65 HG3 LYS 65 33.965 54.904 47.773 535 HD2 LYS 65 HD2 LYS 65 32.041 56.160 48.130 536 HD3 LYS 65 HD3 LYS 65 33.273 57.358 47.720 537 HE2 LYS 65 HE2 LYS 65 32.414 57.620 45.461 538 HE3 LYS 65 HE3 LYS 65 31.325 56.268 45.638 539 HZ1 LYS 65 HZ1 LYS 65 30.078 57.550 47.255 540 HZ2 LYS 65 HZ2 LYS 65 31.135 58.763 47.230 541 HZ3 LYS 65 HZ3 LYS 65 30.289 58.416 45.871 542 H HIS 66 H HIS 66 36.190 52.379 46.482 543 HA HIS 66 HA HIS 66 35.449 50.283 46.090 544 HB2 HIS 66 HB2 HIS 66 33.405 51.915 46.945 545 HB3 HIS 66 HB3 HIS 66 32.665 51.115 45.561 546 HD2 HIS 66 HD2 HIS 66 32.390 48.397 45.766 547 HE1 HIS 66 HE1 HIS 66 33.716 47.996 49.772 548 HE2 HIS 66 HE2 HIS 66 32.570 46.840 47.843 549 H GLU 67 H GLU 67 36.183 51.745 43.482 550 HA GLU 67 HA GLU 67 34.759 50.045 41.548 551 HB2 GLU 67 HB2 GLU 67 35.431 52.294 40.866 552 HB3 GLU 67 HB3 GLU 67 37.135 51.861 41.026 553 HG2 GLU 67 HG2 GLU 67 36.761 50.067 39.226 554 HG3 GLU 67 HG3 GLU 67 35.060 50.490 39.253 555 H VAL 68 H VAL 68 35.324 48.017 42.865 556 HA VAL 68 HA VAL 68 38.046 47.350 43.341 557 HB VAL 68 HB VAL 68 37.137 45.187 44.161 558 HG11 VAL 68 HG11 VAL 68 37.075 47.239 45.596 559 HG12 VAL 68 HG12 VAL 68 35.370 47.451 45.155 560 HG13 VAL 68 HG13 VAL 68 35.882 45.968 45.972 561 HG21 VAL 68 HG21 VAL 68 35.325 44.750 42.568 562 HG22 VAL 68 HG22 VAL 68 34.702 44.778 44.220 563 HG23 VAL 68 HG23 VAL 68 34.420 46.164 43.169 564 H SER 69 H SER 69 37.007 47.490 40.395 565 HA SER 69 HA SER 69 38.210 45.111 39.161 566 HB2 SER 69 HB2 SER 69 36.057 44.317 40.268 567 HB3 SER 69 HB3 SER 69 35.201 45.454 39.205 568 HG SER 69 HG SER 69 35.436 43.425 38.312 569 H VAL 70 H VAL 70 37.805 45.117 36.796 570 HA VAL 70 HA VAL 70 38.052 46.276 34.819 571 HB VAL 70 HB VAL 70 35.080 46.527 35.376 572 HG11 VAL 70 HG11 VAL 70 36.566 46.271 32.710 573 HG12 VAL 70 HG12 VAL 70 34.819 46.076 32.938 574 HG13 VAL 70 HG13 VAL 70 35.536 47.640 33.205 575 HG21 VAL 70 HG21 VAL 70 35.576 44.254 35.770 576 HG22 VAL 70 HG22 VAL 70 35.103 44.277 34.078 577 HG23 VAL 70 HG23 VAL 70 36.820 44.206 34.490 578 HA PRO 71 HA PRO 71 38.085 50.569 36.903 579 HB2 PRO 71 HB2 PRO 71 40.684 51.210 36.339 580 HB3 PRO 71 HB3 PRO 71 40.139 50.320 37.784 581 HG2 PRO 71 HG2 PRO 71 41.350 49.166 35.258 582 HG3 PRO 71 HG3 PRO 71 41.670 48.735 36.957 583 HD2 PRO 71 HD2 PRO 71 39.979 47.314 35.326 584 HD3 PRO 71 HD3 PRO 71 39.709 47.440 37.076 585 H TYR 72 H TYR 72 37.205 52.204 35.822 586 HA TYR 72 HA TYR 72 36.574 51.967 33.106 587 HB2 TYR 72 HB2 TYR 72 35.329 53.207 34.962 588 HB3 TYR 72 HB3 TYR 72 36.475 54.500 34.788 589 HD1 TYR 72 HD2 TYR 72 34.159 52.408 32.650 590 HD2 TYR 72 HD1 TYR 72 35.711 56.287 33.567 591 HE1 TYR 72 HE2 TYR 72 32.591 53.437 30.972 592 HE2 TYR 72 HE1 TYR 72 34.183 57.323 31.872 593 HH TYR 72 HH TYR 72 32.638 56.777 30.069 594 H ALA 73 H ALA 73 39.212 53.840 34.574 595 HA ALA 73 HA ALA 73 39.840 55.425 32.319 596 HB1 ALA 73 HB1 ALA 73 41.476 54.491 34.694 597 HB2 ALA 73 HB2 ALA 73 42.087 55.614 33.428 598 HB3 ALA 73 HB3 ALA 73 40.742 56.088 34.450 599 H MET 74 H MET 74 40.577 52.015 32.725 600 HA MET 74 HA MET 74 42.834 51.717 31.040 601 HB2 MET 74 HB2 MET 74 42.227 49.445 30.830 602 HB3 MET 74 HB3 MET 74 41.848 49.934 32.489 603 HG2 MET 74 HG2 MET 74 40.002 48.743 32.100 604 HG3 MET 74 HG3 MET 74 39.379 50.203 31.360 605 HE1 MET 74 HE1 MET 74 37.990 46.940 29.571 606 HE2 MET 74 HE2 MET 74 39.340 46.278 30.483 607 HE3 MET 74 HE3 MET 74 38.283 47.499 31.239 608 H ASN 75 H ASN 75 39.523 52.319 30.302 609 HA ASN 75 HA ASN 75 39.950 51.958 27.362 610 HB2 ASN 75 HB2 ASN 75 38.316 50.475 28.336 611 HB3 ASN 75 HB3 ASN 75 37.451 51.822 29.075 612 HD21 ASN 75 HD22 ASN 75 36.045 53.040 27.784 613 HD22 ASN 75 HD21 ASN 75 35.802 52.841 26.074 614 H LEU 76 H LEU 76 38.958 54.263 29.889 615 HA LEU 76 HA LEU 76 38.008 56.228 28.099 616 HB2 LEU 76 HB2 LEU 76 37.677 55.825 30.670 617 HB3 LEU 76 HB3 LEU 76 39.098 56.821 30.872 618 HG LEU 76 HG LEU 76 36.337 57.457 29.785 619 HD11 LEU 76 HD11 LEU 76 37.881 58.753 32.073 620 HD12 LEU 76 HD12 LEU 76 36.161 58.909 31.699 621 HD13 LEU 76 HD13 LEU 76 36.825 57.331 32.234 622 HD21 LEU 76 HD21 LEU 76 37.666 58.905 28.394 623 HD22 LEU 76 HD22 LEU 76 36.857 59.864 29.621 624 HD23 LEU 76 HD23 LEU 76 38.569 59.529 29.835 625 H LEU 77 H LEU 77 41.200 55.765 29.659 626 HA LEU 77 HA LEU 77 42.369 58.058 28.170 627 HB2 LEU 77 HB2 LEU 77 43.377 57.038 30.853 628 HB3 LEU 77 HB3 LEU 77 44.013 58.356 29.899 629 HG LEU 77 HG LEU 77 42.944 59.474 31.531 630 HD11 LEU 77 HD11 LEU 77 40.834 59.340 29.343 631 HD12 LEU 77 HD12 LEU 77 40.859 60.487 30.692 632 HD13 LEU 77 HD13 LEU 77 42.205 60.445 29.529 633 HD21 LEU 77 HD21 LEU 77 40.552 58.775 32.289 634 HD22 LEU 77 HD22 LEU 77 41.084 57.187 31.625 635 HD23 LEU 77 HD23 LEU 77 42.050 58.036 32.863 636 H ASN 78 H ASN 78 43.857 55.272 29.853 637 HA ASN 78 HA ASN 78 45.919 54.285 29.097 638 HB2 ASN 78 HB2 ASN 78 43.987 52.858 29.607 639 HB3 ASN 78 HB3 ASN 78 43.668 52.747 27.825 640 HD21 ASN 78 HD22 ASN 78 45.991 52.152 26.736 641 HD22 ASN 78 HD21 ASN 78 46.535 50.636 27.411 642 H GLY 79 H GLY 79 46.858 55.982 27.693 643 HA2 GLY 79 HA2 GLY 79 47.994 55.359 25.406 644 HA3 GLY 79 HA3 GLY 79 46.349 55.519 24.779 645 H ILE 80 H ILE 80 47.386 57.805 27.213 646 HA ILE 80 HA ILE 80 47.333 59.981 25.175 647 HB ILE 80 HB ILE 80 45.590 61.122 26.338 648 HG12 ILE 80 HG12 ILE 80 44.344 59.238 28.036 649 HG13 ILE 80 HG13 ILE 80 46.061 59.190 28.471 650 HG21 ILE 80 HG21 ILE 80 44.452 58.333 26.075 651 HG22 ILE 80 HG22 ILE 80 43.698 59.913 25.735 652 HG23 ILE 80 HG23 ILE 80 44.908 59.228 24.622 653 HD11 ILE 80 HD11 ILE 80 44.595 61.821 28.049 654 HD12 ILE 80 HD12 ILE 80 44.420 60.949 29.566 655 HD13 ILE 80 HD13 ILE 80 46.051 61.491 29.022 656 H LYS 81 H LYS 81 47.987 61.974 25.796 657 HA LYS 81 HA LYS 81 49.510 62.349 28.191 658 HB2 LYS 81 HB2 LYS 81 51.744 62.315 26.754 659 HB3 LYS 81 HB3 LYS 81 51.116 60.920 27.592 660 HG2 LYS 81 HG2 LYS 81 51.939 60.208 25.512 661 HG3 LYS 81 HG3 LYS 81 50.177 60.039 25.454 662 HD2 LYS 81 HD2 LYS 81 50.088 62.113 24.064 663 HD3 LYS 81 HD3 LYS 81 51.842 62.269 24.294 664 HE2 LYS 81 HE2 LYS 81 52.164 60.047 23.135 665 HE3 LYS 81 HE3 LYS 81 50.421 59.878 22.949 666 HZ1 LYS 81 HZ1 LYS 81 51.804 60.849 20.975 667 HZ2 LYS 81 HZ2 LYS 81 50.352 61.570 21.375 668 HZ3 LYS 81 HZ3 LYS 81 51.742 62.196 21.793 669 H LEU 82 H LEU 82 51.030 64.012 28.003 670 HA LEU 82 HA LEU 82 50.373 66.237 26.106 671 HB2 LEU 82 HB2 LEU 82 50.366 66.274 29.160 672 HB3 LEU 82 HB3 LEU 82 50.425 67.751 28.202 673 HG LEU 82 HG LEU 82 48.093 65.761 28.244 674 HD11 LEU 82 HD11 LEU 82 47.990 66.795 30.320 675 HD12 LEU 82 HD12 LEU 82 48.410 68.420 29.705 676 HD13 LEU 82 HD13 LEU 82 46.858 67.693 29.318 677 HD21 LEU 82 HD21 LEU 82 48.202 66.989 26.081 678 HD22 LEU 82 HD22 LEU 82 46.851 67.546 27.046 679 HD23 LEU 82 HD23 LEU 82 48.354 68.517 26.980 680 H TYR 83 H TYR 83 52.836 64.630 27.845 681 HA TYR 83 HA TYR 83 54.874 66.704 27.149 682 HB2 TYR 83 HB2 TYR 83 54.564 64.597 29.260 683 HB3 TYR 83 HB3 TYR 83 56.145 65.067 28.898 684 HD1 TYR 83 HD1 TYR 83 56.290 68.080 29.183 685 HD2 TYR 83 HD2 TYR 83 53.345 65.363 30.822 686 HE1 TYR 83 HE1 TYR 83 55.801 69.667 31.004 687 HE2 TYR 83 HE2 TYR 83 52.800 67.005 32.573 688 HH TYR 83 HH TYR 83 54.372 70.202 32.667 689 H GLY 84 H GLY 84 54.157 63.187 27.112 690 HA2 GLY 84 HA2 GLY 84 55.096 62.741 24.502 691 HA3 GLY 84 HA3 GLY 84 56.454 62.447 25.581 692 H ARG 85 H ARG 85 54.940 61.191 27.769 693 HA ARG 85 HA ARG 85 54.888 58.456 26.628 694 HB2 ARG 85 HB2 ARG 85 55.261 59.186 29.556 695 HB3 ARG 85 HB3 ARG 85 55.269 57.630 28.793 696 HG2 ARG 85 HG2 ARG 85 57.537 58.094 29.002 697 HG3 ARG 85 HG3 ARG 85 57.197 58.430 27.317 698 HD2 ARG 85 HD2 ARG 85 56.963 60.944 28.192 699 HD3 ARG 85 HD3 ARG 85 57.722 60.325 29.643 700 HE ARG 85 HE ARG 85 59.037 60.901 27.114 701 HH11 ARG 85 HH11 ARG 85 59.195 58.542 29.775 702 HH12 ARG 85 HH12 ARG 85 60.934 58.652 29.809 703 HH21 ARG 85 HH21 ARG 85 61.284 60.963 27.340 704 HH22 ARG 85 HH22 ARG 85 62.085 59.738 28.243 705 HA PRO 86 HA PRO 86 50.373 58.744 27.159 706 HB2 PRO 86 HB2 PRO 86 49.781 56.245 26.190 707 HB3 PRO 86 HB3 PRO 86 50.088 57.663 25.129 708 HG2 PRO 86 HG2 PRO 86 51.970 55.486 26.029 709 HG3 PRO 86 HG3 PRO 86 51.781 56.130 24.351 710 HD2 PRO 86 HD2 PRO 86 53.836 56.977 25.884 711 HD3 PRO 86 HD3 PRO 86 52.930 58.108 24.881 712 H ILE 87 H ILE 87 49.377 58.485 29.012 713 HA ILE 87 HA ILE 87 50.183 56.897 31.204 714 HB ILE 87 HB ILE 87 47.828 58.563 30.442 715 HG12 ILE 87 HG12 ILE 87 49.896 59.336 31.601 716 HG13 ILE 87 HG13 ILE 87 48.385 59.817 32.321 717 HG21 ILE 87 HG21 ILE 87 47.517 56.524 32.676 718 HG22 ILE 87 HG22 ILE 87 46.448 57.923 32.378 719 HG23 ILE 87 HG23 ILE 87 46.585 56.630 31.180 720 HD11 ILE 87 HD11 ILE 87 49.932 57.413 33.351 721 HD12 ILE 87 HD12 ILE 87 50.099 59.075 33.986 722 HD13 ILE 87 HD13 ILE 87 48.538 58.239 34.089 723 H LYS 88 H LYS 88 49.904 54.823 31.821 724 HA LYS 88 HA LYS 88 48.101 53.082 30.231 725 HB2 LYS 88 HB2 LYS 88 50.585 52.886 29.831 726 HB3 LYS 88 HB3 LYS 88 50.808 52.467 31.517 727 HG2 LYS 88 HG2 LYS 88 50.814 50.493 29.996 728 HG3 LYS 88 HG3 LYS 88 49.669 50.405 31.336 729 HD2 LYS 88 HD2 LYS 88 47.822 50.996 29.841 730 HD3 LYS 88 HD3 LYS 88 48.943 51.244 28.502 731 HE2 LYS 88 HE2 LYS 88 48.896 48.564 29.946 732 HE3 LYS 88 HE3 LYS 88 47.624 48.930 28.805 733 HZ1 LYS 88 HZ1 LYS 88 49.175 49.259 27.086 734 HZ2 LYS 88 HZ2 LYS 88 50.481 48.931 28.051 735 HZ3 LYS 88 HZ3 LYS 88 49.350 47.799 27.718 736 H ILE 89 H ILE 89 46.385 52.486 31.501 737 HA ILE 89 HA ILE 89 46.750 52.293 34.440 738 HB ILE 89 HB ILE 89 44.226 52.111 32.760 739 HG12 ILE 89 HG12 ILE 89 43.805 54.359 34.088 740 HG13 ILE 89 HG13 ILE 89 45.552 54.442 34.220 741 HG21 ILE 89 HG21 ILE 89 44.589 52.572 35.732 742 HG22 ILE 89 HG22 ILE 89 43.051 52.460 34.840 743 HG23 ILE 89 HG23 ILE 89 44.066 51.020 35.024 744 HD11 ILE 89 HD11 ILE 89 44.053 54.123 31.581 745 HD12 ILE 89 HD12 ILE 89 44.318 55.686 32.339 746 HD13 ILE 89 HD13 ILE 89 45.731 54.702 31.817 747 H GLN 90 H GLN 90 46.633 50.352 35.587 748 HA GLN 90 HA GLN 90 46.168 47.948 33.911 749 HB2 GLN 90 HB2 GLN 90 48.274 47.924 36.112 750 HB3 GLN 90 HB3 GLN 90 47.816 46.646 34.994 751 HG2 GLN 90 HG2 GLN 90 48.355 48.308 33.121 752 HG3 GLN 90 HG3 GLN 90 49.255 49.201 34.370 753 HE21 GLN 90 HE22 GLN 90 49.818 47.182 31.902 754 HE22 GLN 90 HE21 GLN 90 51.277 46.437 32.542 755 H PHE 91 H PHE 91 45.306 46.278 34.455 756 HA PHE 91 HA PHE 91 44.393 45.826 37.233 757 HB2 PHE 91 HB2 PHE 91 42.357 44.710 36.289 758 HB3 PHE 91 HB3 PHE 91 42.404 46.448 36.039 759 HD1 PHE 91 HD1 PHE 91 42.995 47.372 33.745 760 HD2 PHE 91 HD2 PHE 91 42.282 43.201 34.513 761 HE1 PHE 91 HE1 PHE 91 42.510 47.032 31.354 762 HE2 PHE 91 HE2 PHE 91 41.972 42.803 32.084 763 HZ PHE 91 HZ PHE 91 42.020 44.721 30.497 764 H ARG 92 H ARG 92 45.035 43.852 38.016 765 HA ARG 92 HA ARG 92 45.943 41.671 36.160 766 HB2 ARG 92 HB2 ARG 92 47.573 42.521 37.758 767 HB3 ARG 92 HB3 ARG 92 46.600 41.952 39.108 768 HG2 ARG 92 HG2 ARG 92 47.557 40.057 36.911 769 HG3 ARG 92 HG3 ARG 92 48.587 40.505 38.245 770 HD2 ARG 92 HD2 ARG 92 47.179 39.572 39.907 771 HD3 ARG 92 HD3 ARG 92 45.821 39.360 38.834 772 HE ARG 92 HE ARG 92 48.216 37.597 39.047 773 HH11 ARG 92 HH11 ARG 92 45.201 38.250 37.276 774 HH12 ARG 92 HH12 ARG 92 45.018 36.583 36.853 775 HH21 ARG 92 HH21 ARG 92 47.975 35.596 38.430 776 HH22 ARG 92 HH22 ARG 92 46.704 35.135 37.352 777 H SER 93 H SER 93 43.624 42.544 38.638 778 HA SER 93 HA SER 93 41.746 41.628 39.440 779 HB2 SER 93 HB2 SER 93 41.458 40.362 36.695 780 HB3 SER 93 HB3 SER 93 40.173 40.858 37.852 781 HG SER 93 HG SER 93 40.930 42.939 37.548 782 H GLY 94 H GLY 94 43.895 40.090 40.331 783 HA2 GLY 94 HA2 GLY 94 42.717 37.428 40.612 784 HA3 GLY 94 HA3 GLY 94 44.184 37.484 39.612 785 H SER 95 H SER 95 42.818 38.375 42.722 786 HA SER 95 HA SER 95 45.262 37.521 44.219 787 HB2 SER 95 HB2 SER 95 43.924 40.218 44.546 788 HB3 SER 95 HB3 SER 95 45.190 39.536 45.586 789 HG SER 95 HG SER 95 46.630 39.885 44.045 790 H SER 96 H SER 96 41.759 38.153 44.232 791 HA SER 96 HA SER 96 41.409 37.024 46.964 792 HB2 SER 96 HB2 SER 96 39.101 37.802 46.641 793 HB3 SER 96 HB3 SER 96 40.350 39.074 46.553 794 HG SER 96 HG SER 96 38.539 38.731 44.880 795 H HIS 97 H HIS 97 39.167 35.739 47.023 796 HA HIS 97 HA HIS 97 39.523 33.331 45.298 797 HB2 HIS 97 HB2 HIS 97 39.026 33.555 48.293 798 HB3 HIS 97 HB3 HIS 97 39.309 32.074 47.378 799 HD2 HIS 97 HD2 HIS 97 41.736 32.534 45.710 800 HE1 HIS 97 HE1 HIS 97 43.707 34.625 48.841 801 HE2 HIS 97 HE2 HIS 97 44.036 33.449 46.627 802 H ALA 98 H ALA 98 37.094 35.380 46.876 803 HA ALA 98 HA ALA 98 34.961 33.447 46.135 804 HB1 ALA 98 HB1 ALA 98 35.649 33.017 48.441 805 HB2 ALA 98 HB2 ALA 98 35.366 34.729 48.861 806 HB3 ALA 98 HB3 ALA 98 34.009 33.690 48.414 807 HA PRO 99 HA PRO 99 32.778 37.221 45.116 808 HB2 PRO 99 HB2 PRO 99 30.195 36.394 45.108 809 HB3 PRO 99 HB3 PRO 99 31.431 35.930 43.893 810 HG2 PRO 99 HG2 PRO 99 30.426 34.270 46.207 811 HG3 PRO 99 HG3 PRO 99 30.800 33.784 44.513 812 HD2 PRO 99 HD2 PRO 99 32.567 33.466 46.624 813 HD3 PRO 99 HD3 PRO 99 32.987 33.582 44.885 814 H GLN 100 H GLN 100 31.867 38.902 46.164 815 HA GLN 100 HA GLN 100 32.518 38.947 48.969 816 HB2 GLN 100 HB2 GLN 100 32.052 41.176 46.946 817 HB3 GLN 100 HB3 GLN 100 32.583 41.425 48.611 818 HG2 GLN 100 HG2 GLN 100 34.563 39.990 48.205 819 HG3 GLN 100 HG3 GLN 100 34.002 39.710 46.551 820 HE21 GLN 100 HE22 GLN 100 36.127 40.385 46.048 821 HE22 GLN 100 HE21 GLN 100 36.511 42.101 45.862 822 H ASP 101 H ASP 101 29.400 38.981 47.378 823 HA ASP 101 HA ASP 101 28.028 39.938 49.807 824 HB2 ASP 101 HB2 ASP 101 28.594 42.020 48.457 825 HB3 ASP 101 HB3 ASP 101 27.683 41.340 47.116 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 52.519 52.180 22.650 2 H2 GLY 1 H2 GLY 1 52.471 52.411 21.036 3 H3 GLY 1 H3 GLY 1 53.712 51.582 21.660 4 HA2 GLY 1 HA2 GLY 1 50.940 50.794 21.308 5 HA3 GLY 1 HA3 GLY 1 52.383 49.947 20.741 6 H SER 2 H SER 2 52.768 48.103 21.913 7 HA SER 2 HA SER 2 52.203 48.075 24.851 8 HB2 SER 2 HB2 SER 2 51.310 45.931 22.911 9 HB3 SER 2 HB3 SER 2 50.789 46.181 24.593 10 HG SER 2 HG SER 2 49.309 46.863 23.050 11 H GLU 3 H GLU 3 53.932 47.395 25.922 12 HA GLU 3 HA GLU 3 56.188 46.121 24.779 13 HB2 GLU 3 HB2 GLU 3 55.284 46.377 27.675 14 HB3 GLU 3 HB3 GLU 3 56.799 45.606 27.191 15 HG2 GLU 3 HG2 GLU 3 57.302 47.781 25.888 16 HG3 GLU 3 HG3 GLU 3 56.006 48.517 26.799 17 H PHE 4 H PHE 4 57.032 44.063 24.885 18 HA PHE 4 HA PHE 4 55.012 42.308 24.003 19 HB2 PHE 4 HB2 PHE 4 56.901 40.712 23.570 20 HB3 PHE 4 HB3 PHE 4 56.874 42.244 22.732 21 HD1 PHE 4 HD2 PHE 4 58.706 40.200 25.181 22 HD2 PHE 4 HD1 PHE 4 58.594 43.914 23.032 23 HE1 PHE 4 HE2 PHE 4 61.110 40.673 25.827 24 HE2 PHE 4 HE1 PHE 4 61.037 44.190 23.381 25 HZ PHE 4 HZ PHE 4 62.280 42.570 24.804 26 H GLU 5 H GLU 5 57.016 41.973 26.931 27 HA GLU 5 HA GLU 5 55.306 39.708 27.899 28 HB2 GLU 5 HB2 GLU 5 58.289 39.966 27.796 29 HB3 GLU 5 HB3 GLU 5 57.514 38.819 28.878 30 HG2 GLU 5 HG2 GLU 5 56.865 38.848 25.912 31 HG3 GLU 5 HG3 GLU 5 58.329 38.058 26.529 32 H LEU 6 H LEU 6 54.555 42.081 28.731 33 HA LEU 6 HA LEU 6 55.768 42.599 31.394 34 HB2 LEU 6 HB2 LEU 6 53.627 43.852 29.729 35 HB3 LEU 6 HB3 LEU 6 53.502 43.999 31.477 36 HG LEU 6 HG LEU 6 55.983 44.913 29.928 37 HD11 LEU 6 HD11 LEU 6 53.817 46.643 31.149 38 HD12 LEU 6 HD12 LEU 6 55.233 47.123 30.191 39 HD13 LEU 6 HD13 LEU 6 53.914 46.228 29.419 40 HD21 LEU 6 HD21 LEU 6 55.098 45.091 32.853 41 HD22 LEU 6 HD22 LEU 6 56.635 44.462 32.207 42 HD23 LEU 6 HD23 LEU 6 56.302 46.185 32.163 43 H ARG 7 H ARG 7 54.767 42.145 33.331 44 HA ARG 7 HA ARG 7 53.429 39.600 33.595 45 HB2 ARG 7 HB2 ARG 7 53.656 39.756 35.707 46 HB3 ARG 7 HB3 ARG 7 55.057 40.629 35.069 47 HG2 ARG 7 HG2 ARG 7 52.548 41.909 36.118 48 HG3 ARG 7 HG3 ARG 7 54.030 41.460 37.063 49 HD2 ARG 7 HD2 ARG 7 54.014 43.312 34.646 50 HD3 ARG 7 HD3 ARG 7 53.834 43.931 36.304 51 HE ARG 7 HE ARG 7 56.218 42.255 36.020 52 HH11 ARG 7 HH11 ARG 7 54.945 45.551 35.581 53 HH12 ARG 7 HH12 ARG 7 56.534 46.191 35.723 54 HH21 ARG 7 HH21 ARG 7 58.179 43.175 35.621 55 HH22 ARG 7 HH22 ARG 7 58.210 44.931 35.395 56 H ARG 8 H ARG 8 51.295 39.174 33.756 57 HA ARG 8 HA ARG 8 49.325 41.202 34.508 58 HB2 ARG 8 HB2 ARG 8 47.865 40.889 32.570 59 HB3 ARG 8 HB3 ARG 8 49.358 41.748 32.224 60 HG2 ARG 8 HG2 ARG 8 50.352 39.814 31.176 61 HG3 ARG 8 HG3 ARG 8 48.963 38.788 31.599 62 HD2 ARG 8 HD2 ARG 8 47.483 40.223 30.269 63 HD3 ARG 8 HD3 ARG 8 48.843 41.295 29.884 64 HE ARG 8 HE ARG 8 49.725 38.782 29.126 65 HH11 ARG 8 HH11 ARG 8 47.229 40.985 28.231 66 HH12 ARG 8 HH12 ARG 8 46.956 40.295 26.636 67 HH21 ARG 8 HH21 ARG 8 49.440 37.974 26.990 68 HH22 ARG 8 HH22 ARG 8 48.207 38.684 25.982 69 H GLN 9 H GLN 9 49.975 37.777 33.858 70 HA GLN 9 HA GLN 9 47.583 36.919 35.404 71 HB2 GLN 9 HB2 GLN 9 48.169 36.310 32.497 72 HB3 GLN 9 HB3 GLN 9 47.234 35.224 33.496 73 HG2 GLN 9 HG2 GLN 9 45.775 37.402 34.061 74 HG3 GLN 9 HG3 GLN 9 46.522 38.051 32.608 75 HE21 GLN 9 HE22 GLN 9 44.043 38.139 32.304 76 HE22 GLN 9 HE21 GLN 9 43.422 36.749 31.412 77 H GLN 10 H GLN 10 50.513 35.930 33.640 78 HA GLN 10 HA GLN 10 50.522 33.163 34.293 79 HB2 GLN 10 HB2 GLN 10 52.859 35.003 33.645 80 HB3 GLN 10 HB3 GLN 10 52.928 33.251 33.664 81 HG2 GLN 10 HG2 GLN 10 51.009 33.305 31.897 82 HG3 GLN 10 HG3 GLN 10 51.413 35.028 31.732 83 HE21 GLN 10 HE22 GLN 10 53.920 35.407 31.333 84 HE22 GLN 10 HE21 GLN 10 54.570 34.268 30.171 85 H ALA 11 H ALA 11 50.798 35.525 36.467 86 HA ALA 11 HA ALA 11 51.980 33.846 38.532 87 HB1 ALA 11 HB1 ALA 11 53.340 36.528 38.045 88 HB2 ALA 11 HB2 ALA 11 53.860 35.236 39.128 89 HB3 ALA 11 HB3 ALA 11 53.979 34.994 37.378 90 H LEU 12 H LEU 12 51.689 34.630 40.633 91 HA LEU 12 HA LEU 12 49.082 35.792 40.750 92 HB2 LEU 12 HB2 LEU 12 48.939 34.896 42.904 93 HB3 LEU 12 HB3 LEU 12 49.889 33.807 41.918 94 HG LEU 12 HG LEU 12 51.952 35.019 42.906 95 HD11 LEU 12 HD11 LEU 12 51.594 35.478 45.417 96 HD12 LEU 12 HD12 LEU 12 50.958 36.747 44.368 97 HD13 LEU 12 HD13 LEU 12 49.862 35.562 45.101 98 HD21 LEU 12 HD21 LEU 12 51.168 32.616 43.172 99 HD22 LEU 12 HD22 LEU 12 52.130 33.225 44.519 100 HD23 LEU 12 HD23 LEU 12 50.358 33.106 44.668 101 H ALA 13 H ALA 13 48.389 37.663 41.284 102 HA ALA 13 HA ALA 13 49.670 39.290 43.256 103 HB1 ALA 13 HB1 ALA 13 50.735 40.050 41.019 104 HB2 ALA 13 HB2 ALA 13 49.130 40.647 40.565 105 HB3 ALA 13 HB3 ALA 13 49.933 41.296 42.006 106 H GLU 14 H GLU 14 48.174 40.783 44.183 107 HA GLU 14 HA GLU 14 45.582 41.186 42.799 108 HB2 GLU 14 HB2 GLU 14 45.786 41.113 45.831 109 HB3 GLU 14 HB3 GLU 14 44.360 41.355 44.836 110 HG2 GLU 14 HG2 GLU 14 44.738 39.040 43.865 111 HG3 GLU 14 HG3 GLU 14 45.923 38.783 45.152 112 H ALA 15 H ALA 15 44.471 43.188 43.619 113 HA ALA 15 HA ALA 15 46.222 45.502 43.661 114 HB1 ALA 15 HB1 ALA 15 43.294 45.484 44.362 115 HB2 ALA 15 HB2 ALA 15 44.265 46.735 43.528 116 HB3 ALA 15 HB3 ALA 15 43.826 45.240 42.683 117 H ASP 16 H ASP 16 46.035 47.253 45.343 118 HA ASP 16 HA ASP 16 45.715 46.212 48.094 119 HB2 ASP 16 HB2 ASP 16 47.735 47.143 48.872 120 HB3 ASP 16 HB3 ASP 16 48.089 46.185 47.444 121 H ARG 17 H ARG 17 43.668 47.134 47.358 122 HA ARG 17 HA ARG 17 41.990 48.572 47.409 123 HB2 ARG 17 HB2 ARG 17 43.452 49.606 49.863 124 HB3 ARG 17 HB3 ARG 17 41.773 49.975 49.458 125 HG2 ARG 17 HG2 ARG 17 41.158 47.616 49.586 126 HG3 ARG 17 HG3 ARG 17 42.823 47.139 49.809 127 HD2 ARG 17 HD2 ARG 17 42.332 47.172 52.044 128 HD3 ARG 17 HD3 ARG 17 42.594 48.890 51.921 129 HE ARG 17 HE ARG 17 40.341 49.259 52.318 130 HH11 ARG 17 HH11 ARG 17 40.803 46.025 51.196 131 HH12 ARG 17 HH12 ARG 17 39.254 45.464 51.855 132 HH21 ARG 17 HH21 ARG 17 38.221 48.575 52.832 133 HH22 ARG 17 HH22 ARG 17 37.815 46.896 52.637 134 H THR 18 H THR 18 44.513 49.470 45.996 135 HA THR 18 HA THR 18 43.664 52.205 45.205 136 HB THR 18 HB THR 18 46.587 51.387 45.303 137 HG1 THR 18 HG1 THR 18 45.786 51.162 47.351 138 HG21 THR 18 HG21 THR 18 45.172 54.087 45.587 139 HG22 THR 18 HG22 THR 18 46.926 53.824 45.555 140 HG23 THR 18 HG23 THR 18 45.945 53.487 44.105 141 H LEU 19 H LEU 19 44.207 52.709 42.933 142 HA LEU 19 HA LEU 19 44.199 50.505 40.988 143 HB2 LEU 19 HB2 LEU 19 42.592 52.436 40.899 144 HB3 LEU 19 HB3 LEU 19 43.949 53.534 40.766 145 HG LEU 19 HG LEU 19 44.667 52.508 38.634 146 HD11 LEU 19 HD11 LEU 19 42.187 50.831 39.069 147 HD12 LEU 19 HD12 LEU 19 42.722 51.232 37.419 148 HD13 LEU 19 HD13 LEU 19 43.800 50.352 38.507 149 HD21 LEU 19 HD21 LEU 19 43.326 54.562 38.817 150 HD22 LEU 19 HD22 LEU 19 43.166 53.714 37.288 151 HD23 LEU 19 HD23 LEU 19 41.853 53.607 38.493 152 H PHE 20 H PHE 20 46.147 49.861 39.963 153 HA PHE 20 HA PHE 20 48.537 51.489 40.251 154 HB2 PHE 20 HB2 PHE 20 48.396 48.888 40.149 155 HB3 PHE 20 HB3 PHE 20 48.449 49.096 38.400 156 HD1 PHE 20 HD1 PHE 20 50.344 50.632 37.410 157 HD2 PHE 20 HD2 PHE 20 50.398 48.819 41.316 158 HE1 PHE 20 HE1 PHE 20 52.730 51.143 37.591 159 HE2 PHE 20 HE2 PHE 20 52.832 49.300 41.493 160 HZ PHE 20 HZ PHE 20 54.014 50.429 39.613 161 H VAL 21 H VAL 21 49.648 52.706 38.728 162 HA VAL 21 HA VAL 21 48.544 52.923 35.999 163 HB VAL 21 HB VAL 21 48.981 55.479 37.609 164 HG11 VAL 21 HG11 VAL 21 47.607 54.730 34.996 165 HG12 VAL 21 HG12 VAL 21 47.800 56.385 35.626 166 HG13 VAL 21 HG13 VAL 21 49.223 55.466 35.103 167 HG21 VAL 21 HG21 VAL 21 47.044 54.425 38.633 168 HG22 VAL 21 HG22 VAL 21 46.438 55.625 37.483 169 HG23 VAL 21 HG23 VAL 21 46.446 53.891 37.054 170 H GLY 22 H GLY 22 50.195 52.613 34.659 171 HA2 GLY 22 HA2 GLY 22 52.846 53.768 35.408 172 HA3 GLY 22 HA3 GLY 22 52.716 52.235 34.599 173 H ASN 23 H ASN 23 54.205 53.596 33.266 174 HA ASN 23 HA ASN 23 54.738 54.568 31.289 175 HB2 ASN 23 HB2 ASN 23 52.582 53.071 30.730 176 HB3 ASN 23 HB3 ASN 23 51.896 54.646 30.397 177 HD21 ASN 23 HD21 ASN 23 51.688 54.305 28.358 178 HD22 ASN 23 HD22 ASN 23 52.981 54.283 27.142 179 H LEU 24 H LEU 24 54.245 56.075 33.587 180 HA LEU 24 HA LEU 24 52.918 58.578 33.151 181 HB2 LEU 24 HB2 LEU 24 55.070 57.524 35.009 182 HB3 LEU 24 HB3 LEU 24 54.562 59.195 35.068 183 HG LEU 24 HG LEU 24 53.575 57.585 36.779 184 HD11 LEU 24 HD11 LEU 24 51.764 59.315 35.074 185 HD12 LEU 24 HD12 LEU 24 51.293 58.593 36.640 186 HD13 LEU 24 HD13 LEU 24 52.601 59.770 36.586 187 HD21 LEU 24 HD21 LEU 24 52.940 55.781 35.194 188 HD22 LEU 24 HD22 LEU 24 51.574 56.374 36.196 189 HD23 LEU 24 HD23 LEU 24 51.703 56.832 34.490 190 H GLU 25 H GLU 25 53.965 60.621 33.104 191 HA GLU 25 HA GLU 25 56.332 60.651 31.381 192 HB2 GLU 25 HB2 GLU 25 54.005 62.317 31.713 193 HB3 GLU 25 HB3 GLU 25 55.400 63.332 32.012 194 HG2 GLU 25 HG2 GLU 25 55.450 61.446 29.647 195 HG3 GLU 25 HG3 GLU 25 54.459 62.864 29.525 196 H THR 26 H THR 26 57.931 62.335 31.596 197 HA THR 26 HA THR 26 59.423 61.707 34.028 198 HB THR 26 HB THR 26 61.301 62.547 32.905 199 HG1 THR 26 HG1 THR 26 59.594 63.756 30.957 200 HG21 THR 26 HG21 THR 26 59.613 61.467 30.631 201 HG22 THR 26 HG22 THR 26 61.393 61.454 30.804 202 HG23 THR 26 HG23 THR 26 60.387 60.468 31.878 203 H LYS 27 H LYS 27 57.565 64.296 32.717 204 HA LYS 27 HA LYS 27 58.158 66.009 35.059 205 HB2 LYS 27 HB2 LYS 27 56.843 66.729 32.404 206 HB3 LYS 27 HB3 LYS 27 57.077 67.821 33.789 207 HG2 LYS 27 HG2 LYS 27 59.271 66.480 32.192 208 HG3 LYS 27 HG3 LYS 27 58.773 68.163 32.089 209 HD2 LYS 27 HD2 LYS 27 60.086 66.730 34.422 210 HD3 LYS 27 HD3 LYS 27 60.762 68.023 33.431 211 HE2 LYS 27 HE2 LYS 27 59.122 69.634 34.474 212 HE3 LYS 27 HE3 LYS 27 58.407 68.314 35.373 213 HZ1 LYS 27 HZ1 LYS 27 60.026 69.421 36.776 214 HZ2 LYS 27 HZ2 LYS 27 60.648 67.989 36.399 215 HZ3 LYS 27 HZ3 LYS 27 61.187 69.288 35.634 216 H VAL 28 H VAL 28 56.271 63.499 34.897 217 HA VAL 28 HA VAL 28 53.689 64.558 35.275 218 HB VAL 28 HB VAL 28 54.203 62.175 34.718 219 HG11 VAL 28 HG11 VAL 28 55.892 61.728 36.455 220 HG12 VAL 28 HG12 VAL 28 54.702 61.938 37.729 221 HG13 VAL 28 HG13 VAL 28 54.561 60.565 36.613 222 HG21 VAL 28 HG21 VAL 28 51.997 63.316 35.680 223 HG22 VAL 28 HG22 VAL 28 52.105 61.596 35.321 224 HG23 VAL 28 HG23 VAL 28 52.235 62.195 37.002 225 H THR 29 H THR 29 52.340 64.574 37.127 226 HA THR 29 HA THR 29 53.381 64.618 39.843 227 HB THR 29 HB THR 29 52.361 66.912 40.262 228 HG1 THR 29 HG1 THR 29 52.203 68.153 38.432 229 HG21 THR 29 HG21 THR 29 54.333 68.070 39.965 230 HG22 THR 29 HG22 THR 29 54.881 66.396 39.988 231 HG23 THR 29 HG23 THR 29 54.727 67.247 38.431 232 H GLU 30 H GLU 30 51.684 65.041 41.412 233 HA GLU 30 HA GLU 30 49.407 63.482 40.849 234 HB2 GLU 30 HB2 GLU 30 49.726 65.431 43.180 235 HB3 GLU 30 HB3 GLU 30 48.702 63.978 43.122 236 HG2 GLU 30 HG2 GLU 30 50.798 62.619 42.952 237 HG3 GLU 30 HG3 GLU 30 51.720 64.100 43.254 238 H GLU 31 H GLU 31 49.950 66.915 40.588 239 HA GLU 31 HA GLU 31 47.181 67.767 40.403 240 HB2 GLU 31 HB2 GLU 31 49.820 68.903 39.473 241 HB3 GLU 31 HB3 GLU 31 48.257 69.680 39.111 242 HG2 GLU 31 HG2 GLU 31 47.710 69.570 41.568 243 HG3 GLU 31 HG3 GLU 31 49.358 69.126 41.899 244 H LEU 32 H LEU 32 49.556 66.671 37.914 245 HA LEU 32 HA LEU 32 47.763 67.080 35.714 246 HB2 LEU 32 HB2 LEU 32 50.120 66.938 35.211 247 HB3 LEU 32 HB3 LEU 32 50.301 65.416 36.066 248 HG LEU 32 HG LEU 32 49.057 64.214 34.327 249 HD11 LEU 32 HD11 LEU 32 48.282 65.311 32.279 250 HD12 LEU 32 HD12 LEU 32 47.517 66.110 33.652 251 HD13 LEU 32 HD13 LEU 32 48.895 66.878 32.834 252 HD21 LEU 32 HD21 LEU 32 50.564 64.597 32.366 253 HD22 LEU 32 HD22 LEU 32 51.231 65.997 33.224 254 HD23 LEU 32 HD23 LEU 32 51.403 64.342 33.894 255 H LEU 33 H LEU 33 48.570 64.301 37.774 256 HA LEU 33 HA LEU 33 46.857 62.367 36.486 257 HB2 LEU 33 HB2 LEU 33 47.832 62.594 39.317 258 HB3 LEU 33 HB3 LEU 33 47.063 61.153 38.590 259 HG LEU 33 HG LEU 33 49.780 62.382 37.930 260 HD11 LEU 33 HD11 LEU 33 48.973 59.825 39.269 261 HD12 LEU 33 HD12 LEU 33 50.570 60.063 38.479 262 HD13 LEU 33 HD13 LEU 33 50.086 61.108 39.819 263 HD21 LEU 33 HD21 LEU 33 48.640 61.523 35.829 264 HD22 LEU 33 HD22 LEU 33 50.196 60.837 36.213 265 HD23 LEU 33 HD23 LEU 33 48.742 59.889 36.545 266 H PHE 34 H PHE 34 46.115 64.725 39.099 267 HA PHE 34 HA PHE 34 43.499 63.597 39.502 268 HB2 PHE 34 HB2 PHE 34 44.800 64.994 41.103 269 HB3 PHE 34 HB3 PHE 34 44.431 66.424 40.147 270 HD1 PHE 34 HD1 PHE 34 41.944 67.117 39.939 271 HD2 PHE 34 HD2 PHE 34 43.305 64.000 42.597 272 HE1 PHE 34 HE1 PHE 34 39.720 67.078 41.056 273 HE2 PHE 34 HE2 PHE 34 41.161 64.094 43.805 274 HZ PHE 34 HZ PHE 34 39.323 65.545 42.976 275 H GLU 35 H GLU 35 44.593 66.328 37.432 276 HA GLU 35 HA GLU 35 41.911 66.836 36.479 277 HB2 GLU 35 HB2 GLU 35 42.936 68.298 34.852 278 HB3 GLU 35 HB3 GLU 35 43.712 68.543 36.416 279 HG2 GLU 35 HG2 GLU 35 45.645 67.188 35.683 280 HG3 GLU 35 HG3 GLU 35 44.876 66.930 34.114 281 H LEU 36 H LEU 36 44.273 64.441 35.590 282 HA LEU 36 HA LEU 36 42.878 63.854 33.103 283 HB2 LEU 36 HB2 LEU 36 45.143 63.625 33.030 284 HB3 LEU 36 HB3 LEU 36 45.273 62.732 34.539 285 HG LEU 36 HG LEU 36 43.761 61.545 32.176 286 HD11 LEU 36 HD11 LEU 36 46.734 61.413 32.746 287 HD12 LEU 36 HD12 LEU 36 45.825 60.328 31.621 288 HD13 LEU 36 HD13 LEU 36 45.997 62.044 31.250 289 HD21 LEU 36 HD21 LEU 36 43.574 60.270 34.258 290 HD22 LEU 36 HD22 LEU 36 44.741 59.420 33.242 291 HD23 LEU 36 HD23 LEU 36 45.325 60.441 34.562 292 H PHE 37 H PHE 37 42.871 62.447 36.452 293 HA PHE 37 HA PHE 37 41.235 60.233 35.383 294 HB2 PHE 37 HB2 PHE 37 42.524 60.639 38.075 295 HB3 PHE 37 HB3 PHE 37 41.300 59.388 37.718 296 HD1 PHE 37 HD2 PHE 37 41.645 57.823 35.762 297 HD2 PHE 37 HD1 PHE 37 44.804 60.035 37.684 298 HE1 PHE 37 HE2 PHE 37 43.314 56.181 34.924 299 HE2 PHE 37 HE1 PHE 37 46.482 58.511 36.670 300 HZ PHE 37 HZ PHE 37 45.721 56.568 35.293 301 H HIS 38 H HIS 38 40.599 63.237 37.085 302 HA HIS 38 HA HIS 38 37.985 62.819 37.932 303 HB2 HIS 38 HB2 HIS 38 39.362 64.824 38.235 304 HB3 HIS 38 HB3 HIS 38 39.268 65.190 36.507 305 HD2 HIS 38 HD2 HIS 38 36.617 65.589 35.598 306 HE1 HIS 38 HE1 HIS 38 35.402 67.257 39.316 307 HE2 HIS 38 HE2 HIS 38 34.820 67.029 36.890 308 H GLN 39 H GLN 39 39.058 63.302 34.505 309 HA GLN 39 HA GLN 39 36.641 63.189 33.079 310 HB2 GLN 39 HB2 GLN 39 39.111 63.574 32.380 311 HB3 GLN 39 HB3 GLN 39 39.242 61.809 32.376 312 HG2 GLN 39 HG2 GLN 39 37.393 61.634 30.776 313 HG3 GLN 39 HG3 GLN 39 37.179 63.392 30.800 314 HE21 GLN 39 HE22 GLN 39 37.422 62.873 28.299 315 HE22 GLN 39 HE21 GLN 39 39.074 62.934 27.708 316 H ALA 40 H ALA 40 38.416 60.543 34.683 317 HA ALA 40 HA ALA 40 36.844 58.498 33.285 318 HB1 ALA 40 HB1 ALA 40 39.039 58.213 35.368 319 HB2 ALA 40 HB2 ALA 40 38.195 56.883 34.544 320 HB3 ALA 40 HB3 ALA 40 39.190 57.985 33.610 321 H GLY 41 H GLY 41 36.662 60.409 36.100 322 HA2 GLY 41 HA2 GLY 41 34.099 60.404 36.758 323 HA3 GLY 41 HA3 GLY 41 34.498 58.817 37.399 324 HA PRO 42 HA PRO 42 35.453 62.076 40.598 325 HB2 PRO 42 HB2 PRO 42 33.960 61.345 42.670 326 HB3 PRO 42 HB3 PRO 42 33.226 62.063 41.204 327 HG2 PRO 42 HG2 PRO 42 33.431 59.117 41.935 328 HG3 PRO 42 HG3 PRO 42 31.979 60.010 41.404 329 HD2 PRO 42 HD2 PRO 42 33.648 58.552 39.700 330 HD3 PRO 42 HD3 PRO 42 32.672 59.948 39.158 331 H VAL 43 H VAL 43 37.616 61.201 40.521 332 HA VAL 43 HA VAL 43 38.344 58.940 42.101 333 HB VAL 43 HB VAL 43 40.538 59.454 41.864 334 HG11 VAL 43 HG11 VAL 43 40.896 59.702 39.647 335 HG12 VAL 43 HG12 VAL 43 39.164 59.225 39.578 336 HG13 VAL 43 HG13 VAL 43 39.602 60.909 39.379 337 HG21 VAL 43 HG21 VAL 43 41.541 61.491 41.153 338 HG22 VAL 43 HG22 VAL 43 39.958 62.325 41.078 339 HG23 VAL 43 HG23 VAL 43 40.639 61.842 42.637 340 H ILE 44 H ILE 44 39.010 58.633 44.157 341 HA ILE 44 HA ILE 44 38.288 60.519 46.199 342 HB ILE 44 HB ILE 44 39.847 57.927 46.146 343 HG12 ILE 44 HG12 ILE 44 37.529 57.553 45.582 344 HG13 ILE 44 HG13 ILE 44 37.940 56.854 47.142 345 HG21 ILE 44 HG21 ILE 44 40.680 59.101 48.041 346 HG22 ILE 44 HG22 ILE 44 39.060 59.619 48.526 347 HG23 ILE 44 HG23 ILE 44 39.539 57.898 48.640 348 HD11 ILE 44 HD11 ILE 44 35.724 57.770 47.232 349 HD12 ILE 44 HD12 ILE 44 36.779 58.723 48.282 350 HD13 ILE 44 HD13 ILE 44 36.285 59.342 46.661 351 H LYS 45 H LYS 45 41.524 59.541 44.892 352 HA LYS 45 HA LYS 45 42.924 61.906 45.765 353 HB2 LYS 45 HB2 LYS 45 44.176 61.212 47.523 354 HB3 LYS 45 HB3 LYS 45 42.536 60.748 47.972 355 HG2 LYS 45 HG2 LYS 45 43.193 58.351 47.191 356 HG3 LYS 45 HG3 LYS 45 44.840 58.958 47.070 357 HD2 LYS 45 HD2 LYS 45 44.585 57.885 49.186 358 HD3 LYS 45 HD3 LYS 45 44.692 59.632 49.523 359 HE2 LYS 45 HE2 LYS 45 42.392 59.813 50.012 360 HE3 LYS 45 HE3 LYS 45 42.011 58.304 49.176 361 HZ1 LYS 45 HZ1 LYS 45 43.347 58.598 51.789 362 HZ2 LYS 45 HZ2 LYS 45 41.974 57.735 51.412 363 HZ3 LYS 45 HZ3 LYS 45 43.398 57.218 50.906 364 H VAL 46 H VAL 46 45.261 61.718 45.346 365 HA VAL 46 HA VAL 46 46.055 59.534 43.460 366 HB VAL 46 HB VAL 46 46.662 62.516 43.269 367 HG11 VAL 46 HG11 VAL 46 47.697 62.136 41.199 368 HG12 VAL 46 HG12 VAL 46 48.609 61.195 42.359 369 HG13 VAL 46 HG13 VAL 46 47.469 60.341 41.308 370 HG21 VAL 46 HG21 VAL 46 44.364 61.923 42.532 371 HG22 VAL 46 HG22 VAL 46 45.366 62.353 41.135 372 HG23 VAL 46 HG23 VAL 46 45.019 60.648 41.492 373 H LYS 47 H LYS 47 48.281 58.984 43.470 374 HA LYS 47 HA LYS 47 50.148 60.237 45.405 375 HB2 LYS 47 HB2 LYS 47 49.592 58.038 46.387 376 HB3 LYS 47 HB3 LYS 47 49.555 57.300 44.804 377 HG2 LYS 47 HG2 LYS 47 51.504 56.508 45.981 378 HG3 LYS 47 HG3 LYS 47 52.009 57.431 44.593 379 HD2 LYS 47 HD2 LYS 47 52.553 59.377 46.115 380 HD3 LYS 47 HD3 LYS 47 51.930 58.422 47.480 381 HE2 LYS 47 HE2 LYS 47 53.725 56.727 47.021 382 HE3 LYS 47 HE3 LYS 47 54.271 57.687 45.667 383 HZ1 LYS 47 HZ1 LYS 47 54.603 59.530 47.437 384 HZ2 LYS 47 HZ2 LYS 47 54.426 58.335 48.523 385 HZ3 LYS 47 HZ3 LYS 47 55.614 58.261 47.449 386 H ILE 48 H ILE 48 52.037 60.711 44.641 387 HA ILE 48 HA ILE 48 53.057 59.446 42.140 388 HB ILE 48 HB ILE 48 53.059 62.252 43.148 389 HG12 ILE 48 HG12 ILE 48 51.670 61.231 41.224 390 HG13 ILE 48 HG13 ILE 48 52.482 62.768 40.917 391 HG21 ILE 48 HG21 ILE 48 55.476 61.206 41.711 392 HG22 ILE 48 HG22 ILE 48 54.919 62.906 41.633 393 HG23 ILE 48 HG23 ILE 48 55.358 62.189 43.183 394 HD11 ILE 48 HD11 ILE 48 53.356 59.996 39.989 395 HD12 ILE 48 HD12 ILE 48 52.705 61.334 38.998 396 HD13 ILE 48 HD13 ILE 48 54.318 61.459 39.737 397 HA PRO 49 HA PRO 49 56.212 58.071 45.126 398 HB2 PRO 49 HB2 PRO 49 57.712 56.653 43.268 399 HB3 PRO 49 HB3 PRO 49 56.284 56.010 44.115 400 HG2 PRO 49 HG2 PRO 49 56.501 57.190 41.324 401 HG3 PRO 49 HG3 PRO 49 55.541 55.766 41.856 402 HD2 PRO 49 HD2 PRO 49 54.571 58.282 41.392 403 HD3 PRO 49 HD3 PRO 49 53.806 57.188 42.559 404 H LYS 50 H LYS 50 58.685 58.108 45.071 405 HA LYS 50 HA LYS 50 60.061 59.478 43.046 406 HB2 LYS 50 HB2 LYS 50 59.915 60.890 45.732 407 HB3 LYS 50 HB3 LYS 50 61.272 61.046 44.586 408 HG2 LYS 50 HG2 LYS 50 59.465 61.561 42.809 409 HG3 LYS 50 HG3 LYS 50 58.388 61.837 44.204 410 HD2 LYS 50 HD2 LYS 50 59.861 63.547 45.069 411 HD3 LYS 50 HD3 LYS 50 61.042 63.268 43.785 412 HE2 LYS 50 HE2 LYS 50 59.062 63.619 42.124 413 HE3 LYS 50 HE3 LYS 50 58.194 64.279 43.507 414 HZ1 LYS 50 HZ1 LYS 50 60.150 65.718 43.863 415 HZ2 LYS 50 HZ2 LYS 50 60.748 65.285 42.422 416 HZ3 LYS 50 HZ3 LYS 50 59.342 66.064 42.460 417 H ASP 51 H ASP 51 61.622 58.393 42.772 418 HA ASP 51 HA ASP 51 63.196 56.620 44.376 419 HB2 ASP 51 HB2 ASP 51 63.260 56.876 41.864 420 HB3 ASP 51 HB3 ASP 51 63.883 58.500 42.074 421 H LYS 52 H LYS 52 65.307 56.935 45.248 422 HA LYS 52 HA LYS 52 65.882 59.025 46.951 423 HB2 LYS 52 HB2 LYS 52 68.239 58.310 46.759 424 HB3 LYS 52 HB3 LYS 52 67.189 56.898 46.851 425 HG2 LYS 52 HG2 LYS 52 68.223 56.109 45.040 426 HG3 LYS 52 HG3 LYS 52 67.435 57.338 44.074 427 HD2 LYS 52 HD2 LYS 52 69.317 58.924 44.538 428 HD3 LYS 52 HD3 LYS 52 70.173 57.622 45.392 429 HE2 LYS 52 HE2 LYS 52 69.204 57.551 42.522 430 HE3 LYS 52 HE3 LYS 52 70.878 57.847 42.969 431 HZ1 LYS 52 HZ1 LYS 52 69.860 55.414 42.511 432 HZ2 LYS 52 HZ2 LYS 52 71.160 55.606 43.502 433 HZ3 LYS 52 HZ3 LYS 52 69.642 55.454 44.072 434 H ASP 53 H ASP 53 66.346 59.156 43.449 435 HA ASP 53 HA ASP 53 67.725 61.744 43.732 436 HB2 ASP 53 HB2 ASP 53 68.579 59.838 42.236 437 HB3 ASP 53 HB3 ASP 53 67.174 60.119 41.231 438 H GLY 54 H GLY 54 64.552 60.853 43.693 439 HA2 GLY 54 HA2 GLY 54 62.887 62.453 43.911 440 HA3 GLY 54 HA3 GLY 54 63.792 63.616 42.970 441 H LYS 55 H LYS 55 62.817 60.275 41.903 442 HA LYS 55 HA LYS 55 61.015 61.646 39.984 443 HB2 LYS 55 HB2 LYS 55 63.184 61.127 38.967 444 HB3 LYS 55 HB3 LYS 55 62.890 59.384 39.260 445 HG2 LYS 55 HG2 LYS 55 62.332 59.647 36.968 446 HG3 LYS 55 HG3 LYS 55 60.779 59.629 37.775 447 HD2 LYS 55 HD2 LYS 55 60.445 61.510 36.491 448 HD3 LYS 55 HD3 LYS 55 61.313 62.292 37.837 449 HE2 LYS 55 HE2 LYS 55 63.435 61.589 36.429 450 HE3 LYS 55 HE3 LYS 55 62.281 61.467 35.097 451 HZ1 LYS 55 HZ1 LYS 55 61.669 63.716 35.361 452 HZ2 LYS 55 HZ2 LYS 55 62.468 63.829 36.813 453 HZ3 LYS 55 HZ3 LYS 55 63.315 63.695 35.461 454 HA PRO 56 HA PRO 56 58.130 58.614 41.112 455 HB2 PRO 56 HB2 PRO 56 56.356 58.757 38.998 456 HB3 PRO 56 HB3 PRO 56 56.461 59.923 40.378 457 HG2 PRO 56 HG2 PRO 56 57.718 59.989 37.657 458 HG3 PRO 56 HG3 PRO 56 56.859 61.379 38.459 459 HD2 PRO 56 HD2 PRO 56 59.472 61.451 38.572 460 HD3 PRO 56 HD3 PRO 56 58.589 61.686 40.065 461 H LYS 57 H LYS 57 60.375 57.704 38.925 462 HA LYS 57 HA LYS 57 60.857 55.791 37.737 463 HB2 LYS 57 HB2 LYS 57 58.855 54.494 39.611 464 HB3 LYS 57 HB3 LYS 57 60.221 53.708 38.798 465 HG2 LYS 57 HG2 LYS 57 61.184 53.856 40.774 466 HG3 LYS 57 HG3 LYS 57 61.538 55.536 40.344 467 HD2 LYS 57 HD2 LYS 57 59.483 56.258 41.535 468 HD3 LYS 57 HD3 LYS 57 59.126 54.558 41.981 469 HE2 LYS 57 HE2 LYS 57 61.715 55.929 42.613 470 HE3 LYS 57 HE3 LYS 57 60.309 55.953 43.731 471 HZ1 LYS 57 HZ1 LYS 57 61.838 53.620 42.812 472 HZ2 LYS 57 HZ2 LYS 57 61.659 54.163 44.350 473 HZ3 LYS 57 HZ3 LYS 57 60.416 53.488 43.610 474 H GLN 58 H GLN 58 58.564 57.292 36.535 475 HA GLN 58 HA GLN 58 56.951 57.128 35.088 476 HB2 GLN 58 HB2 GLN 58 58.454 54.652 34.260 477 HB3 GLN 58 HB3 GLN 58 57.042 55.289 33.397 478 HG2 GLN 58 HG2 GLN 58 58.261 57.534 33.296 479 HG3 GLN 58 HG3 GLN 58 59.725 56.673 33.773 480 HE21 GLN 58 HE21 GLN 58 57.205 57.125 31.393 481 HE22 GLN 58 HE22 GLN 58 57.987 56.307 30.049 482 H PHE 59 H PHE 59 56.147 56.277 37.562 483 HA PHE 59 HA PHE 59 53.696 54.859 36.871 484 HB2 PHE 59 HB2 PHE 59 53.816 53.004 38.070 485 HB3 PHE 59 HB3 PHE 59 55.438 53.173 37.450 486 HD1 PHE 59 HD1 PHE 59 53.276 53.301 40.492 487 HD2 PHE 59 HD2 PHE 59 57.300 53.305 38.994 488 HE1 PHE 59 HE1 PHE 59 54.115 52.726 42.750 489 HE2 PHE 59 HE2 PHE 59 58.155 52.848 41.287 490 HZ PHE 59 HZ PHE 59 56.554 52.493 43.156 491 H ALA 60 H ALA 60 52.050 54.997 38.585 492 HA ALA 60 HA ALA 60 52.458 56.605 40.959 493 HB1 ALA 60 HB1 ALA 60 50.856 58.353 40.338 494 HB2 ALA 60 HB2 ALA 60 52.166 58.317 39.169 495 HB3 ALA 60 HB3 ALA 60 50.584 57.582 38.765 496 H PHE 61 H PHE 61 50.168 56.877 41.937 497 HA PHE 61 HA PHE 61 48.330 54.606 41.349 498 HB2 PHE 61 HB2 PHE 61 49.800 55.340 43.882 499 HB3 PHE 61 HB3 PHE 61 48.214 54.629 44.040 500 HD1 PHE 61 HD1 PHE 61 47.837 52.379 42.632 501 HD2 PHE 61 HD2 PHE 61 51.689 53.896 43.835 502 HE1 PHE 61 HE1 PHE 61 48.741 50.069 42.674 503 HE2 PHE 61 HE2 PHE 61 52.535 51.561 44.022 504 HZ PHE 61 HZ PHE 61 51.060 49.660 43.491 505 H VAL 62 H VAL 62 46.136 54.775 42.159 506 HA VAL 62 HA VAL 62 45.131 57.458 42.970 507 HB VAL 62 HB VAL 62 43.892 56.001 40.600 508 HG11 VAL 62 HG11 VAL 62 43.568 58.747 41.888 509 HG12 VAL 62 HG12 VAL 62 42.975 58.405 40.266 510 HG13 VAL 62 HG13 VAL 62 42.306 57.516 41.638 511 HG21 VAL 62 HG21 VAL 62 45.794 58.368 40.617 512 HG22 VAL 62 HG22 VAL 62 46.085 56.808 39.794 513 HG23 VAL 62 HG23 VAL 62 44.815 57.876 39.208 514 H ASN 63 H ASN 63 43.375 57.359 44.261 515 HA ASN 63 HA ASN 63 42.221 54.685 44.866 516 HB2 ASN 63 HB2 ASN 63 43.212 56.154 46.709 517 HB3 ASN 63 HB3 ASN 63 41.783 57.197 46.450 518 HD21 ASN 63 HD22 ASN 63 42.404 53.621 46.858 519 HD22 ASN 63 HD21 ASN 63 40.851 53.392 47.635 520 H PHE 64 H PHE 64 40.109 54.294 44.647 521 HA PHE 64 HA PHE 64 38.125 56.269 43.652 522 HB2 PHE 64 HB2 PHE 64 38.901 53.632 42.348 523 HB3 PHE 64 HB3 PHE 64 37.312 54.275 42.146 524 HD1 PHE 64 HD1 PHE 64 40.834 54.719 41.269 525 HD2 PHE 64 HD2 PHE 64 36.854 56.276 40.712 526 HE1 PHE 64 HE1 PHE 64 41.594 55.979 39.270 527 HE2 PHE 64 HE2 PHE 64 37.562 57.314 38.584 528 HZ PHE 64 HZ PHE 64 39.949 57.247 37.899 529 H LYS 65 H LYS 65 35.975 55.602 44.143 530 HA LYS 65 HA LYS 65 35.496 54.141 46.566 531 HB2 LYS 65 HB2 LYS 65 34.022 55.940 45.806 532 HB3 LYS 65 HB3 LYS 65 33.767 55.115 44.264 533 HG2 LYS 65 HG2 LYS 65 32.638 53.256 45.341 534 HG3 LYS 65 HG3 LYS 65 32.942 53.927 46.950 535 HD2 LYS 65 HD2 LYS 65 31.383 55.767 46.493 536 HD3 LYS 65 HD3 LYS 65 31.174 55.201 44.822 537 HE2 LYS 65 HE2 LYS 65 30.264 53.042 45.641 538 HE3 LYS 65 HE3 LYS 65 30.524 53.529 47.306 539 HZ1 LYS 65 HZ1 LYS 65 28.672 54.700 47.304 540 HZ2 LYS 65 HZ2 LYS 65 28.849 55.356 45.812 541 HZ3 LYS 65 HZ3 LYS 65 28.233 53.867 46.052 542 H HIS 66 H HIS 66 35.729 51.986 46.645 543 HA HIS 66 HA HIS 66 36.160 50.260 44.539 544 HB2 HIS 66 HB2 HIS 66 36.800 49.776 46.834 545 HB3 HIS 66 HB3 HIS 66 35.112 49.673 47.337 546 HD2 HIS 66 HD2 HIS 66 33.801 47.537 47.032 547 HE1 HIS 66 HE1 HIS 66 36.542 45.268 44.734 548 HE2 HIS 66 HE2 HIS 66 34.350 45.224 46.013 549 H GLU 67 H GLU 67 34.954 48.357 43.709 550 HA GLU 67 HA GLU 67 32.082 48.540 43.524 551 HB2 GLU 67 HB2 GLU 67 33.081 50.517 42.074 552 HB3 GLU 67 HB3 GLU 67 33.735 49.269 41.067 553 HG2 GLU 67 HG2 GLU 67 31.637 50.294 40.203 554 HG3 GLU 67 HG3 GLU 67 31.584 48.554 40.325 555 H VAL 68 H VAL 68 31.190 46.985 41.858 556 HA VAL 68 HA VAL 68 32.916 44.613 41.581 557 HB VAL 68 HB VAL 68 29.996 44.800 40.831 558 HG11 VAL 68 HG11 VAL 68 30.087 42.322 41.333 559 HG12 VAL 68 HG12 VAL 68 30.981 42.829 39.933 560 HG13 VAL 68 HG13 VAL 68 31.867 42.491 41.444 561 HG21 VAL 68 HG21 VAL 68 29.621 43.716 43.159 562 HG22 VAL 68 HG22 VAL 68 31.202 44.362 43.602 563 HG23 VAL 68 HG23 VAL 68 29.911 45.452 43.090 564 H SER 69 H SER 69 32.780 47.316 39.748 565 HA SER 69 HA SER 69 32.783 45.939 37.112 566 HB2 SER 69 HB2 SER 69 33.151 48.259 36.224 567 HB3 SER 69 HB3 SER 69 31.583 47.939 36.981 568 HG SER 69 HG SER 69 32.215 49.756 37.821 569 H VAL 70 H VAL 70 34.674 46.457 35.619 570 HA VAL 70 HA VAL 70 37.279 46.715 36.970 571 HB VAL 70 HB VAL 70 38.242 46.831 34.661 572 HG11 VAL 70 HG11 VAL 70 36.737 44.445 35.710 573 HG12 VAL 70 HG12 VAL 70 37.933 44.337 34.389 574 HG13 VAL 70 HG13 VAL 70 38.434 44.898 35.985 575 HG21 VAL 70 HG21 VAL 70 36.050 47.439 33.472 576 HG22 VAL 70 HG22 VAL 70 36.969 46.121 32.743 577 HG23 VAL 70 HG23 VAL 70 35.541 45.755 33.706 578 HA PRO 71 HA PRO 71 37.649 51.013 37.119 579 HB2 PRO 71 HB2 PRO 71 40.385 50.798 35.825 580 HB3 PRO 71 HB3 PRO 71 39.922 51.627 37.350 581 HG2 PRO 71 HG2 PRO 71 41.135 49.211 37.392 582 HG3 PRO 71 HG3 PRO 71 39.758 49.576 38.502 583 HD2 PRO 71 HD2 PRO 71 39.761 48.022 35.916 584 HD3 PRO 71 HD3 PRO 71 38.983 47.657 37.496 585 H TYR 72 H TYR 72 36.634 52.484 35.950 586 HA TYR 72 HA TYR 72 36.046 52.331 33.234 587 HB2 TYR 72 HB2 TYR 72 34.879 53.625 35.059 588 HB3 TYR 72 HB3 TYR 72 36.045 54.919 34.881 589 HD1 TYR 72 HD2 TYR 72 33.394 52.979 33.144 590 HD2 TYR 72 HD1 TYR 72 35.705 56.607 33.260 591 HE1 TYR 72 HE2 TYR 72 31.844 54.013 31.490 592 HE2 TYR 72 HE1 TYR 72 34.056 57.706 31.749 593 HH TYR 72 HH TYR 72 32.111 57.500 30.757 594 H ALA 73 H ALA 73 38.732 54.212 34.731 595 HA ALA 73 HA ALA 73 39.648 55.511 32.441 596 HB1 ALA 73 HB1 ALA 73 41.191 54.504 34.866 597 HB2 ALA 73 HB2 ALA 73 41.822 55.619 33.624 598 HB3 ALA 73 HB3 ALA 73 40.492 56.121 34.645 599 H MET 74 H MET 74 40.172 52.061 33.286 600 HA MET 74 HA MET 74 42.416 51.702 31.512 601 HB2 MET 74 HB2 MET 74 41.503 50.232 33.536 602 HB3 MET 74 HB3 MET 74 40.585 49.442 32.244 603 HG2 MET 74 HG2 MET 74 42.641 48.807 31.110 604 HG3 MET 74 HG3 MET 74 43.565 49.997 32.014 605 HE1 MET 74 HE1 MET 74 41.026 47.678 34.022 606 HE2 MET 74 HE2 MET 74 41.362 46.797 32.510 607 HE3 MET 74 HE3 MET 74 41.954 46.166 34.061 608 H ASN 75 H ASN 75 38.997 51.944 30.831 609 HA ASN 75 HA ASN 75 39.885 51.596 27.994 610 HB2 ASN 75 HB2 ASN 75 37.846 50.328 28.675 611 HB3 ASN 75 HB3 ASN 75 37.049 51.866 29.021 612 HD21 ASN 75 HD22 ASN 75 36.062 52.969 27.266 613 HD22 ASN 75 HD21 ASN 75 36.364 52.617 25.600 614 H LEU 76 H LEU 76 38.535 54.023 30.238 615 HA LEU 76 HA LEU 76 37.821 55.871 28.257 616 HB2 LEU 76 HB2 LEU 76 37.261 55.630 30.820 617 HB3 LEU 76 HB3 LEU 76 38.678 56.625 31.070 618 HG LEU 76 HG LEU 76 36.584 57.849 31.187 619 HD11 LEU 76 HD11 LEU 76 38.066 58.774 28.721 620 HD12 LEU 76 HD12 LEU 76 37.075 59.714 29.842 621 HD13 LEU 76 HD13 LEU 76 38.623 59.032 30.409 622 HD21 LEU 76 HD21 LEU 76 35.191 56.666 29.468 623 HD22 LEU 76 HD22 LEU 76 35.258 58.418 29.207 624 HD23 LEU 76 HD23 LEU 76 36.232 57.365 28.192 625 H LEU 77 H LEU 77 40.847 55.823 30.256 626 HA LEU 77 HA LEU 77 42.014 57.814 28.395 627 HB2 LEU 77 HB2 LEU 77 43.026 56.868 31.104 628 HB3 LEU 77 HB3 LEU 77 43.844 58.001 30.019 629 HG LEU 77 HG LEU 77 42.942 59.344 31.638 630 HD11 LEU 77 HD11 LEU 77 42.211 60.282 29.419 631 HD12 LEU 77 HD12 LEU 77 40.719 59.354 29.524 632 HD13 LEU 77 HD13 LEU 77 41.074 60.629 30.711 633 HD21 LEU 77 HD21 LEU 77 40.398 57.763 31.583 634 HD22 LEU 77 HD22 LEU 77 41.717 57.690 32.801 635 HD23 LEU 77 HD23 LEU 77 40.795 59.178 32.618 636 H ASN 78 H ASN 78 43.698 55.271 30.125 637 HA ASN 78 HA ASN 78 45.552 54.107 29.277 638 HB2 ASN 78 HB2 ASN 78 43.698 52.717 30.075 639 HB3 ASN 78 HB3 ASN 78 43.063 52.578 28.404 640 HD21 ASN 78 HD22 ASN 78 44.982 51.669 26.921 641 HD22 ASN 78 HD21 ASN 78 46.000 50.459 27.671 642 H GLY 79 H GLY 79 46.408 55.717 27.775 643 HA2 GLY 79 HA2 GLY 79 47.473 55.089 25.450 644 HA3 GLY 79 HA3 GLY 79 45.800 55.200 24.898 645 H ILE 80 H ILE 80 46.730 57.511 27.338 646 HA ILE 80 HA ILE 80 46.548 59.646 25.266 647 HB ILE 80 HB ILE 80 44.847 60.850 26.356 648 HG12 ILE 80 HG12 ILE 80 43.884 59.522 28.545 649 HG13 ILE 80 HG13 ILE 80 45.632 59.346 28.729 650 HG21 ILE 80 HG21 ILE 80 43.796 58.042 26.711 651 HG22 ILE 80 HG22 ILE 80 42.937 59.536 26.285 652 HG23 ILE 80 HG23 ILE 80 44.005 58.792 25.105 653 HD11 ILE 80 HD11 ILE 80 45.935 61.752 28.820 654 HD12 ILE 80 HD12 ILE 80 44.290 62.069 28.242 655 HD13 ILE 80 HD13 ILE 80 44.513 61.380 29.834 656 H LYS 81 H LYS 81 47.436 61.619 25.676 657 HA LYS 81 HA LYS 81 48.567 62.449 28.179 658 HB2 LYS 81 HB2 LYS 81 50.979 62.530 27.218 659 HB3 LYS 81 HB3 LYS 81 50.335 61.086 27.928 660 HG2 LYS 81 HG2 LYS 81 51.513 60.379 26.020 661 HG3 LYS 81 HG3 LYS 81 49.805 60.161 25.702 662 HD2 LYS 81 HD2 LYS 81 49.845 62.139 24.169 663 HD3 LYS 81 HD3 LYS 81 51.493 62.511 24.707 664 HE2 LYS 81 HE2 LYS 81 52.035 60.060 23.870 665 HE3 LYS 81 HE3 LYS 81 50.487 60.172 23.039 666 HZ1 LYS 81 HZ1 LYS 81 52.862 61.840 22.572 667 HZ2 LYS 81 HZ2 LYS 81 52.093 60.905 21.547 668 HZ3 LYS 81 HZ3 LYS 81 51.374 62.271 22.029 669 H LEU 82 H LEU 82 49.772 64.584 27.816 670 HA LEU 82 HA LEU 82 49.448 65.758 25.076 671 HB2 LEU 82 HB2 LEU 82 49.533 67.342 27.662 672 HB3 LEU 82 HB3 LEU 82 49.381 67.982 26.029 673 HG LEU 82 HG LEU 82 47.337 66.173 27.398 674 HD11 LEU 82 HD11 LEU 82 47.114 69.137 26.827 675 HD12 LEU 82 HD12 LEU 82 46.002 68.108 27.766 676 HD13 LEU 82 HD13 LEU 82 47.607 68.470 28.411 677 HD21 LEU 82 HD21 LEU 82 46.970 67.909 24.908 678 HD22 LEU 82 HD22 LEU 82 47.216 66.158 24.828 679 HD23 LEU 82 HD23 LEU 82 45.788 66.817 25.644 680 H TYR 83 H TYR 83 51.498 65.750 28.041 681 HA TYR 83 HA TYR 83 53.767 66.947 26.991 682 HB2 TYR 83 HB2 TYR 83 53.347 64.748 29.073 683 HB3 TYR 83 HB3 TYR 83 54.945 65.362 28.738 684 HD1 TYR 83 HD1 TYR 83 54.087 68.365 28.448 685 HD2 TYR 83 HD2 TYR 83 53.247 65.312 31.361 686 HE1 TYR 83 HE1 TYR 83 54.013 70.086 30.206 687 HE2 TYR 83 HE2 TYR 83 53.263 67.060 33.173 688 HH TYR 83 HH TYR 83 53.344 70.396 32.488 689 H GLY 84 H GLY 84 53.118 63.382 26.968 690 HA2 GLY 84 HA2 GLY 84 54.864 62.855 24.682 691 HA3 GLY 84 HA3 GLY 84 55.734 62.771 26.210 692 H ARG 85 H ARG 85 54.483 61.304 27.943 693 HA ARG 85 HA ARG 85 54.306 58.697 26.515 694 HB2 ARG 85 HB2 ARG 85 55.129 59.338 29.348 695 HB3 ARG 85 HB3 ARG 85 55.020 57.735 28.632 696 HG2 ARG 85 HG2 ARG 85 57.270 58.139 28.455 697 HG3 ARG 85 HG3 ARG 85 56.681 58.544 26.834 698 HD2 ARG 85 HD2 ARG 85 56.749 60.979 27.565 699 HD3 ARG 85 HD3 ARG 85 57.443 60.398 29.106 700 HE ARG 85 HE ARG 85 59.036 59.400 26.941 701 HH11 ARG 85 HH11 ARG 85 58.403 62.657 28.198 702 HH12 ARG 85 HH12 ARG 85 60.110 62.965 28.414 703 HH21 ARG 85 HH21 ARG 85 61.169 59.988 27.244 704 HH22 ARG 85 HH22 ARG 85 61.575 61.582 27.835 705 HA PRO 86 HA PRO 86 50.137 58.940 27.596 706 HB2 PRO 86 HB2 PRO 86 49.256 56.549 26.549 707 HB3 PRO 86 HB3 PRO 86 49.684 57.972 25.547 708 HG2 PRO 86 HG2 PRO 86 51.446 55.539 26.181 709 HG3 PRO 86 HG3 PRO 86 51.209 56.415 24.611 710 HD2 PRO 86 HD2 PRO 86 53.326 56.795 26.319 711 HD3 PRO 86 HD3 PRO 86 52.644 58.065 25.264 712 H ILE 87 H ILE 87 48.881 58.458 29.285 713 HA ILE 87 HA ILE 87 49.810 56.790 31.399 714 HB ILE 87 HB ILE 87 47.281 58.290 30.724 715 HG12 ILE 87 HG12 ILE 87 49.182 59.603 31.450 716 HG13 ILE 87 HG13 ILE 87 47.804 59.694 32.561 717 HG21 ILE 87 HG21 ILE 87 46.290 56.536 31.933 718 HG22 ILE 87 HG22 ILE 87 47.592 56.511 33.159 719 HG23 ILE 87 HG23 ILE 87 46.464 57.883 33.070 720 HD11 ILE 87 HD11 ILE 87 49.758 59.656 33.865 721 HD12 ILE 87 HD12 ILE 87 48.964 58.090 34.095 722 HD13 ILE 87 HD13 ILE 87 50.396 58.211 33.040 723 H LYS 88 H LYS 88 49.835 54.767 31.615 724 HA LYS 88 HA LYS 88 47.886 52.980 30.273 725 HB2 LYS 88 HB2 LYS 88 50.151 52.520 29.591 726 HB3 LYS 88 HB3 LYS 88 50.691 52.402 31.289 727 HG2 LYS 88 HG2 LYS 88 50.472 50.218 30.182 728 HG3 LYS 88 HG3 LYS 88 49.479 50.374 31.633 729 HD2 LYS 88 HD2 LYS 88 47.511 50.936 30.123 730 HD3 LYS 88 HD3 LYS 88 48.570 50.659 28.739 731 HE2 LYS 88 HE2 LYS 88 48.244 48.430 28.856 732 HE3 LYS 88 HE3 LYS 88 48.701 48.382 30.560 733 HZ1 LYS 88 HZ1 LYS 88 46.536 47.692 30.530 734 HZ2 LYS 88 HZ2 LYS 88 46.367 49.269 30.932 735 HZ3 LYS 88 HZ3 LYS 88 46.036 48.767 29.405 736 H ILE 89 H ILE 89 46.223 52.644 31.717 737 HA ILE 89 HA ILE 89 46.717 52.371 34.614 738 HB ILE 89 HB ILE 89 44.255 52.004 32.875 739 HG12 ILE 89 HG12 ILE 89 43.545 54.037 34.486 740 HG13 ILE 89 HG13 ILE 89 45.252 54.384 34.476 741 HG21 ILE 89 HG21 ILE 89 44.545 51.887 35.889 742 HG22 ILE 89 HG22 ILE 89 42.994 51.994 35.021 743 HG23 ILE 89 HG23 ILE 89 44.035 50.586 34.777 744 HD11 ILE 89 HD11 ILE 89 43.539 54.019 31.964 745 HD12 ILE 89 HD12 ILE 89 43.825 55.581 32.750 746 HD13 ILE 89 HD13 ILE 89 45.177 54.697 32.015 747 H GLN 90 H GLN 90 46.768 50.396 35.788 748 HA GLN 90 HA GLN 90 46.729 47.826 34.315 749 HB2 GLN 90 HB2 GLN 90 48.829 48.833 36.261 750 HB3 GLN 90 HB3 GLN 90 48.708 47.162 35.647 751 HG2 GLN 90 HG2 GLN 90 49.300 47.812 33.439 752 HG3 GLN 90 HG3 GLN 90 49.136 49.545 33.826 753 HE21 GLN 90 HE22 GLN 90 51.452 49.099 32.600 754 HE22 GLN 90 HE21 GLN 90 52.753 49.083 33.768 755 H PHE 91 H PHE 91 45.764 46.288 35.346 756 HA PHE 91 HA PHE 91 44.752 46.606 38.154 757 HB2 PHE 91 HB2 PHE 91 43.106 47.464 36.391 758 HB3 PHE 91 HB3 PHE 91 43.134 45.819 35.738 759 HD1 PHE 91 HD2 PHE 91 42.830 47.447 39.125 760 HD2 PHE 91 HD1 PHE 91 41.433 44.372 36.451 761 HE1 PHE 91 HE2 PHE 91 41.313 46.575 40.904 762 HE2 PHE 91 HE1 PHE 91 39.896 43.542 38.212 763 HZ PHE 91 HZ PHE 91 39.829 44.678 40.440 764 H ARG 92 H ARG 92 44.616 44.773 39.260 765 HA ARG 92 HA ARG 92 44.371 42.214 37.797 766 HB2 ARG 92 HB2 ARG 92 45.817 42.664 40.445 767 HB3 ARG 92 HB3 ARG 92 45.422 41.085 39.785 768 HG2 ARG 92 HG2 ARG 92 47.152 42.990 38.186 769 HG3 ARG 92 HG3 ARG 92 47.837 42.109 39.538 770 HD2 ARG 92 HD2 ARG 92 46.289 40.624 37.366 771 HD3 ARG 92 HD3 ARG 92 47.936 41.159 37.071 772 HE ARG 92 HE ARG 92 48.841 39.630 38.521 773 HH11 ARG 92 HH11 ARG 92 45.253 39.312 38.641 774 HH12 ARG 92 HH12 ARG 92 45.476 37.583 38.698 775 HH21 ARG 92 HH21 ARG 92 48.777 37.410 38.753 776 HH22 ARG 92 HH22 ARG 92 47.225 36.675 39.115 777 H SER 93 H SER 93 42.667 41.137 38.306 778 HA SER 93 HA SER 93 40.720 42.283 40.097 779 HB2 SER 93 HB2 SER 93 39.430 40.100 39.488 780 HB3 SER 93 HB3 SER 93 39.742 41.256 38.201 781 HG SER 93 HG SER 93 40.244 39.064 37.802 782 H GLY 94 H GLY 94 39.680 41.302 41.840 783 HA2 GLY 94 HA2 GLY 94 41.466 40.250 43.797 784 HA3 GLY 94 HA3 GLY 94 39.737 40.540 44.002 785 H SER 95 H SER 95 41.690 38.266 44.655 786 HA SER 95 HA SER 95 40.546 35.850 43.479 787 HB2 SER 95 HB2 SER 95 42.036 34.625 44.751 788 HB3 SER 95 HB3 SER 95 42.930 36.087 44.363 789 HG SER 95 HG SER 95 42.801 36.678 46.427 790 H SER 96 H SER 96 39.832 37.805 46.339 791 HA SER 96 HA SER 96 38.460 37.718 48.105 792 HB2 SER 96 HB2 SER 96 36.616 36.481 46.057 793 HB3 SER 96 HB3 SER 96 36.104 37.106 47.633 794 HG SER 96 HG SER 96 35.956 38.624 45.995 795 H HIS 97 H HIS 97 40.095 35.307 47.767 796 HA HIS 97 HA HIS 97 38.731 32.904 48.492 797 HB2 HIS 97 HB2 HIS 97 40.735 33.158 47.144 798 HB3 HIS 97 HB3 HIS 97 41.622 33.832 48.503 799 HD2 HIS 97 HD2 HIS 97 39.995 30.446 47.450 800 HE1 HIS 97 HE1 HIS 97 43.162 29.592 50.160 801 HE2 HIS 97 HE2 HIS 97 41.390 28.593 48.655 802 H ALA 98 H ALA 98 40.107 35.410 50.602 803 HA ALA 98 HA ALA 98 40.323 33.654 52.833 804 HB1 ALA 98 HB1 ALA 98 40.140 36.676 52.970 805 HB2 ALA 98 HB2 ALA 98 41.108 35.574 53.980 806 HB3 ALA 98 HB3 ALA 98 41.562 35.863 52.292 807 HA PRO 99 HA PRO 99 36.287 33.611 54.829 808 HB2 PRO 99 HB2 PRO 99 37.673 34.762 57.237 809 HB3 PRO 99 HB3 PRO 99 36.539 33.393 57.162 810 HG2 PRO 99 HG2 PRO 99 39.202 32.878 57.301 811 HG3 PRO 99 HG3 PRO 99 38.170 31.951 56.168 812 HD2 PRO 99 HD2 PRO 99 40.001 34.259 55.562 813 HD3 PRO 99 HD3 PRO 99 39.731 32.734 54.651 814 H GLN 100 H GLN 100 34.531 35.211 55.110 815 HA GLN 100 HA GLN 100 35.132 37.596 53.730 816 HB2 GLN 100 HB2 GLN 100 32.980 36.038 53.850 817 HB3 GLN 100 HB3 GLN 100 32.443 37.221 55.028 818 HG2 GLN 100 HG2 GLN 100 32.881 39.017 53.235 819 HG3 GLN 100 HG3 GLN 100 33.290 37.691 52.128 820 HE21 GLN 100 HE22 GLN 100 30.538 38.314 54.412 821 HE22 GLN 100 HE21 GLN 100 29.328 37.776 53.287 822 H ASP 101 H ASP 101 34.384 37.165 57.155 823 HA ASP 101 HA ASP 101 35.065 40.006 57.792 824 HB2 ASP 101 HB2 ASP 101 32.630 39.485 58.075 825 HB3 ASP 101 HB3 ASP 101 33.077 38.185 59.175 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 53.574 31.961 18.557 2 H2 GLY 1 H2 GLY 1 53.684 30.386 18.136 3 H3 GLY 1 H3 GLY 1 53.685 31.539 16.990 4 HA2 GLY 1 HA2 GLY 1 55.942 30.506 17.606 5 HA3 GLY 1 HA3 GLY 1 55.829 32.271 17.433 6 H SER 2 H SER 2 57.028 33.165 18.843 7 HA SER 2 HA SER 2 56.958 32.425 21.711 8 HB2 SER 2 HB2 SER 2 59.004 33.973 20.023 9 HB3 SER 2 HB3 SER 2 59.163 33.672 21.756 10 HG SER 2 HG SER 2 59.601 31.652 21.328 11 H GLU 3 H GLU 3 56.935 34.217 23.253 12 HA GLU 3 HA GLU 3 55.293 36.562 22.382 13 HB2 GLU 3 HB2 GLU 3 55.419 35.096 25.054 14 HB3 GLU 3 HB3 GLU 3 54.716 36.681 24.868 15 HG2 GLU 3 HG2 GLU 3 52.907 35.272 24.794 16 HG3 GLU 3 HG3 GLU 3 53.153 35.718 23.128 17 H PHE 4 H PHE 4 56.264 38.456 22.261 18 HA PHE 4 HA PHE 4 58.029 39.340 24.502 19 HB2 PHE 4 HB2 PHE 4 59.423 38.825 22.554 20 HB3 PHE 4 HB3 PHE 4 58.493 39.907 21.550 21 HD1 PHE 4 HD1 PHE 4 58.706 42.450 21.982 22 HD2 PHE 4 HD2 PHE 4 61.302 39.514 23.780 23 HE1 PHE 4 HE1 PHE 4 60.419 44.192 22.403 24 HE2 PHE 4 HE2 PHE 4 62.946 41.254 24.281 25 HZ PHE 4 HZ PHE 4 62.474 43.638 23.682 26 H GLU 5 H GLU 5 55.715 40.515 21.963 27 HA GLU 5 HA GLU 5 55.694 43.205 23.001 28 HB2 GLU 5 HB2 GLU 5 54.206 43.652 21.188 29 HB3 GLU 5 HB3 GLU 5 55.454 42.531 20.633 30 HG2 GLU 5 HG2 GLU 5 53.927 40.626 20.926 31 HG3 GLU 5 HG3 GLU 5 52.726 41.676 21.639 32 H LEU 6 H LEU 6 54.652 41.069 24.968 33 HA LEU 6 HA LEU 6 51.830 41.972 25.305 34 HB2 LEU 6 HB2 LEU 6 53.234 39.416 26.115 35 HB3 LEU 6 HB3 LEU 6 51.648 39.922 26.675 36 HG LEU 6 HG LEU 6 50.770 39.653 24.291 37 HD11 LEU 6 HD11 LEU 6 53.568 38.485 23.858 38 HD12 LEU 6 HD12 LEU 6 52.157 38.173 22.815 39 HD13 LEU 6 HD13 LEU 6 52.796 39.809 22.972 40 HD21 LEU 6 HD21 LEU 6 50.366 38.087 26.027 41 HD22 LEU 6 HD22 LEU 6 50.753 37.153 24.596 42 HD23 LEU 6 HD23 LEU 6 51.978 37.376 25.878 43 H ARG 7 H ARG 7 51.102 42.528 27.383 44 HA ARG 7 HA ARG 7 52.969 43.786 29.155 45 HB2 ARG 7 HB2 ARG 7 50.103 43.071 29.799 46 HB3 ARG 7 HB3 ARG 7 51.169 44.225 30.614 47 HG2 ARG 7 HG2 ARG 7 50.100 45.767 29.460 48 HG3 ARG 7 HG3 ARG 7 51.281 45.371 28.233 49 HD2 ARG 7 HD2 ARG 7 49.086 45.607 27.222 50 HD3 ARG 7 HD3 ARG 7 49.514 43.890 27.154 51 HE ARG 7 HE ARG 7 48.056 44.234 29.546 52 HH11 ARG 7 HH11 ARG 7 47.193 44.975 26.144 53 HH12 ARG 7 HH12 ARG 7 45.500 44.965 26.555 54 HH21 ARG 7 HH21 ARG 7 45.968 43.951 29.787 55 HH22 ARG 7 HH22 ARG 7 44.863 44.443 28.504 56 H ARG 8 H ARG 8 53.658 43.189 31.266 57 HA ARG 8 HA ARG 8 52.948 40.700 32.638 58 HB2 ARG 8 HB2 ARG 8 55.270 39.936 32.942 59 HB3 ARG 8 HB3 ARG 8 54.790 39.861 31.273 60 HG2 ARG 8 HG2 ARG 8 56.085 41.889 30.777 61 HG3 ARG 8 HG3 ARG 8 56.400 42.147 32.499 62 HD2 ARG 8 HD2 ARG 8 57.772 40.103 32.591 63 HD3 ARG 8 HD3 ARG 8 57.400 39.738 30.904 64 HE ARG 8 HE ARG 8 59.246 41.797 31.928 65 HH11 ARG 8 HH11 ARG 8 57.439 40.662 29.035 66 HH12 ARG 8 HH12 ARG 8 58.477 41.608 28.016 67 HH21 ARG 8 HH21 ARG 8 60.435 42.843 30.434 68 HH22 ARG 8 HH22 ARG 8 60.232 42.491 28.717 69 H GLN 9 H GLN 9 54.164 40.719 34.770 70 HA GLN 9 HA GLN 9 54.464 43.452 35.930 71 HB2 GLN 9 HB2 GLN 9 53.054 41.105 37.244 72 HB3 GLN 9 HB3 GLN 9 53.484 42.592 38.049 73 HG2 GLN 9 HG2 GLN 9 51.527 42.329 35.731 74 HG3 GLN 9 HG3 GLN 9 51.083 42.692 37.384 75 HE21 GLN 9 HE21 GLN 9 50.826 44.087 34.716 76 HE22 GLN 9 HE22 GLN 9 51.483 45.705 34.909 77 H GLN 10 H GLN 10 55.591 43.084 38.201 78 HA GLN 10 HA GLN 10 58.127 41.792 37.498 79 HB2 GLN 10 HB2 GLN 10 57.691 43.259 40.104 80 HB3 GLN 10 HB3 GLN 10 59.140 43.022 39.107 81 HG2 GLN 10 HG2 GLN 10 58.152 44.445 37.349 82 HG3 GLN 10 HG3 GLN 10 56.787 44.827 38.417 83 HE21 GLN 10 HE22 GLN 10 59.169 46.402 37.245 84 HE22 GLN 10 HE21 GLN 10 59.731 47.303 38.633 85 H ALA 11 H ALA 11 55.643 41.399 39.961 86 HA ALA 11 HA ALA 11 55.819 38.549 39.957 87 HB1 ALA 11 HB1 ALA 11 56.343 38.301 42.401 88 HB2 ALA 11 HB2 ALA 11 57.675 38.791 41.357 89 HB3 ALA 11 HB3 ALA 11 56.892 40.010 42.389 90 H LEU 12 H LEU 12 54.399 38.462 42.680 91 HA LEU 12 HA LEU 12 51.786 39.093 41.480 92 HB2 LEU 12 HB2 LEU 12 52.238 37.540 44.018 93 HB3 LEU 12 HB3 LEU 12 50.817 37.635 42.980 94 HG LEU 12 HG LEU 12 53.460 36.308 42.169 95 HD11 LEU 12 HD11 LEU 12 50.742 35.215 42.973 96 HD12 LEU 12 HD12 LEU 12 52.143 34.253 42.388 97 HD13 LEU 12 HD13 LEU 12 52.213 35.081 43.951 98 HD21 LEU 12 HD21 LEU 12 50.726 36.346 40.842 99 HD22 LEU 12 HD22 LEU 12 52.180 37.116 40.166 100 HD23 LEU 12 HD23 LEU 12 52.133 35.359 40.361 101 H ALA 13 H ALA 13 50.060 40.063 42.808 102 HA ALA 13 HA ALA 13 50.832 42.036 44.855 103 HB1 ALA 13 HB1 ALA 13 51.360 43.429 42.940 104 HB2 ALA 13 HB2 ALA 13 49.917 42.849 42.064 105 HB3 ALA 13 HB3 ALA 13 49.761 43.898 43.476 106 H GLU 14 H GLU 14 48.869 43.241 45.656 107 HA GLU 14 HA GLU 14 46.194 42.407 44.759 108 HB2 GLU 14 HB2 GLU 14 46.883 40.765 46.505 109 HB3 GLU 14 HB3 GLU 14 47.134 42.102 47.614 110 HG2 GLU 14 HG2 GLU 14 45.134 40.742 48.085 111 HG3 GLU 14 HG3 GLU 14 44.695 42.394 47.873 112 H ALA 15 H ALA 15 44.443 43.689 45.847 113 HA ALA 15 HA ALA 15 45.291 46.427 46.574 114 HB1 ALA 15 HB1 ALA 15 43.508 45.785 44.218 115 HB2 ALA 15 HB2 ALA 15 43.944 47.390 44.831 116 HB3 ALA 15 HB3 ALA 15 45.207 46.350 44.119 117 H ASP 16 H ASP 16 43.792 47.743 47.442 118 HA ASP 16 HA ASP 16 41.016 47.018 47.965 119 HB2 ASP 16 HB2 ASP 16 42.310 46.227 49.905 120 HB3 ASP 16 HB3 ASP 16 43.107 47.774 50.064 121 H ARG 17 H ARG 17 40.124 48.498 46.926 122 HA ARG 17 HA ARG 17 39.536 50.248 45.788 123 HB2 ARG 17 HB2 ARG 17 40.310 51.663 48.346 124 HB3 ARG 17 HB3 ARG 17 39.198 52.324 47.155 125 HG2 ARG 17 HG2 ARG 17 37.458 50.839 47.738 126 HG3 ARG 17 HG3 ARG 17 38.570 49.709 48.567 127 HD2 ARG 17 HD2 ARG 17 39.110 51.409 50.237 128 HD3 ARG 17 HD3 ARG 17 38.089 52.587 49.392 129 HE ARG 17 HE ARG 17 36.287 51.772 50.604 130 HH11 ARG 17 HH11 ARG 17 38.862 49.280 50.789 131 HH12 ARG 17 HH12 ARG 17 37.695 48.132 51.400 132 HH21 ARG 17 HH21 ARG 17 35.060 50.162 51.581 133 HH22 ARG 17 HH22 ARG 17 35.813 48.657 52.089 134 H THR 18 H THR 18 42.531 49.820 45.418 135 HA THR 18 HA THR 18 43.178 52.573 44.501 136 HB THR 18 HB THR 18 45.376 51.152 45.961 137 HG1 THR 18 HG1 THR 18 43.703 51.257 47.454 138 HG21 THR 18 HG21 THR 18 44.563 54.099 45.902 139 HG22 THR 18 HG22 THR 18 46.158 53.429 46.279 140 HG23 THR 18 HG23 THR 18 45.577 53.437 44.614 141 H LEU 19 H LEU 19 44.391 52.799 42.822 142 HA LEU 19 HA LEU 19 44.421 50.485 40.958 143 HB2 LEU 19 HB2 LEU 19 42.682 52.213 40.831 144 HB3 LEU 19 HB3 LEU 19 43.919 53.468 40.736 145 HG LEU 19 HG LEU 19 44.506 52.932 38.511 146 HD11 LEU 19 HD11 LEU 19 43.253 50.264 39.109 147 HD12 LEU 19 HD12 LEU 19 43.165 50.888 37.434 148 HD13 LEU 19 HD13 LEU 19 44.725 50.672 38.217 149 HD21 LEU 19 HD21 LEU 19 42.250 53.229 37.468 150 HD22 LEU 19 HD22 LEU 19 41.520 52.572 38.966 151 HD23 LEU 19 HD23 LEU 19 42.367 54.114 38.993 152 H PHE 20 H PHE 20 46.274 49.929 40.045 153 HA PHE 20 HA PHE 20 48.651 51.603 40.286 154 HB2 PHE 20 HB2 PHE 20 48.865 49.065 40.185 155 HB3 PHE 20 HB3 PHE 20 48.407 49.173 38.486 156 HD1 PHE 20 HD2 PHE 20 50.992 50.545 40.867 157 HD2 PHE 20 HD1 PHE 20 49.879 49.832 36.766 158 HE1 PHE 20 HE2 PHE 20 53.334 50.960 40.138 159 HE2 PHE 20 HE1 PHE 20 52.225 50.075 36.076 160 HZ PHE 20 HZ PHE 20 53.955 50.731 37.754 161 H VAL 21 H VAL 21 49.355 53.091 38.860 162 HA VAL 21 HA VAL 21 48.478 52.848 36.020 163 HB VAL 21 HB VAL 21 48.799 55.424 37.614 164 HG11 VAL 21 HG11 VAL 21 47.894 55.016 34.731 165 HG12 VAL 21 HG12 VAL 21 47.926 56.564 35.605 166 HG13 VAL 21 HG13 VAL 21 49.435 55.748 35.238 167 HG21 VAL 21 HG21 VAL 21 46.665 54.097 38.109 168 HG22 VAL 21 HG22 VAL 21 46.354 55.646 37.352 169 HG23 VAL 21 HG23 VAL 21 46.313 54.120 36.394 170 H GLY 22 H GLY 22 50.210 52.550 34.735 171 HA2 GLY 22 HA2 GLY 22 52.765 53.844 35.548 172 HA3 GLY 22 HA3 GLY 22 52.825 52.271 34.842 173 H ASN 23 H ASN 23 54.192 53.415 33.415 174 HA ASN 23 HA ASN 23 54.926 54.322 31.489 175 HB2 ASN 23 HB2 ASN 23 52.750 52.987 30.696 176 HB3 ASN 23 HB3 ASN 23 52.161 54.616 30.451 177 HD21 ASN 23 HD21 ASN 23 52.114 54.656 28.346 178 HD22 ASN 23 HD22 ASN 23 53.458 54.355 27.237 179 H LEU 24 H LEU 24 54.370 55.957 33.671 180 HA LEU 24 HA LEU 24 53.089 58.470 32.938 181 HB2 LEU 24 HB2 LEU 24 55.027 57.637 35.114 182 HB3 LEU 24 HB3 LEU 24 54.404 59.241 34.996 183 HG LEU 24 HG LEU 24 53.456 57.527 36.680 184 HD11 LEU 24 HD11 LEU 24 51.697 59.376 35.108 185 HD12 LEU 24 HD12 LEU 24 51.041 58.431 36.461 186 HD13 LEU 24 HD13 LEU 24 52.326 59.518 36.811 187 HD21 LEU 24 HD21 LEU 24 52.821 55.772 34.987 188 HD22 LEU 24 HD22 LEU 24 51.510 56.260 36.095 189 HD23 LEU 24 HD23 LEU 24 51.501 56.830 34.430 190 H GLU 25 H GLU 25 54.053 60.428 32.663 191 HA GLU 25 HA GLU 25 56.568 60.355 31.225 192 HB2 GLU 25 HB2 GLU 25 54.341 62.217 31.549 193 HB3 GLU 25 HB3 GLU 25 55.855 63.067 31.767 194 HG2 GLU 25 HG2 GLU 25 55.566 61.155 29.435 195 HG3 GLU 25 HG3 GLU 25 54.803 62.699 29.303 196 H THR 26 H THR 26 58.145 62.043 31.590 197 HA THR 26 HA THR 26 59.656 61.450 33.976 198 HB THR 26 HB THR 26 61.462 62.558 32.765 199 HG1 THR 26 HG1 THR 26 59.574 63.374 30.904 200 HG21 THR 26 HG21 THR 26 59.851 61.430 30.455 201 HG22 THR 26 HG22 THR 26 61.523 61.076 30.887 202 HG23 THR 26 HG23 THR 26 60.204 60.364 31.820 203 H LYS 27 H LYS 27 57.367 63.731 33.153 204 HA LYS 27 HA LYS 27 58.093 65.833 35.169 205 HB2 LYS 27 HB2 LYS 27 56.466 65.817 32.621 206 HB3 LYS 27 HB3 LYS 27 56.487 67.210 33.693 207 HG2 LYS 27 HG2 LYS 27 59.123 66.122 32.719 208 HG3 LYS 27 HG3 LYS 27 58.058 66.920 31.571 209 HD2 LYS 27 HD2 LYS 27 59.767 68.443 32.540 210 HD3 LYS 27 HD3 LYS 27 58.109 69.001 32.869 211 HE2 LYS 27 HE2 LYS 27 58.348 68.135 35.197 212 HE3 LYS 27 HE3 LYS 27 59.891 67.397 34.706 213 HZ1 LYS 27 HZ1 LYS 27 59.297 70.273 35.035 214 HZ2 LYS 27 HZ2 LYS 27 60.396 69.434 35.821 215 HZ3 LYS 27 HZ3 LYS 27 60.595 69.806 34.245 216 H VAL 28 H VAL 28 56.136 63.160 35.205 217 HA VAL 28 HA VAL 28 53.613 64.395 35.558 218 HB VAL 28 HB VAL 28 53.988 62.082 34.828 219 HG11 VAL 28 HG11 VAL 28 55.594 61.215 36.325 220 HG12 VAL 28 HG12 VAL 28 54.635 61.662 37.761 221 HG13 VAL 28 HG13 VAL 28 54.146 60.308 36.736 222 HG21 VAL 28 HG21 VAL 28 51.810 63.093 35.640 223 HG22 VAL 28 HG22 VAL 28 51.943 61.353 35.490 224 HG23 VAL 28 HG23 VAL 28 52.029 62.125 37.113 225 H THR 29 H THR 29 52.178 64.385 37.368 226 HA THR 29 HA THR 29 53.252 64.624 40.081 227 HB THR 29 HB THR 29 52.252 66.933 40.460 228 HG1 THR 29 HG1 THR 29 52.223 67.542 37.925 229 HG21 THR 29 HG21 THR 29 54.558 66.679 38.520 230 HG22 THR 29 HG22 THR 29 54.092 68.153 39.406 231 HG23 THR 29 HG23 THR 29 54.511 66.646 40.282 232 H GLU 30 H GLU 30 51.339 65.341 41.602 233 HA GLU 30 HA GLU 30 49.176 63.458 41.149 234 HB2 GLU 30 HB2 GLU 30 49.712 65.409 43.426 235 HB3 GLU 30 HB3 GLU 30 48.493 64.120 43.431 236 HG2 GLU 30 HG2 GLU 30 50.422 62.450 43.313 237 HG3 GLU 30 HG3 GLU 30 51.510 63.827 43.401 238 H GLU 31 H GLU 31 49.685 66.778 40.525 239 HA GLU 31 HA GLU 31 46.874 67.638 40.416 240 HB2 GLU 31 HB2 GLU 31 49.536 68.697 39.368 241 HB3 GLU 31 HB3 GLU 31 48.005 69.573 39.183 242 HG2 GLU 31 HG2 GLU 31 47.803 69.588 41.695 243 HG3 GLU 31 HG3 GLU 31 49.411 68.866 41.789 244 H LEU 32 H LEU 32 49.437 66.541 38.183 245 HA LEU 32 HA LEU 32 47.902 66.893 35.807 246 HB2 LEU 32 HB2 LEU 32 50.340 66.689 35.770 247 HB3 LEU 32 HB3 LEU 32 50.240 65.043 36.415 248 HG LEU 32 HG LEU 32 49.119 64.307 34.281 249 HD11 LEU 32 HD11 LEU 32 49.843 67.131 33.419 250 HD12 LEU 32 HD12 LEU 32 49.190 65.879 32.332 251 HD13 LEU 32 HD13 LEU 32 48.169 66.551 33.612 252 HD21 LEU 32 HD21 LEU 32 51.428 65.481 32.996 253 HD22 LEU 32 HD22 LEU 32 51.854 65.111 34.671 254 HD23 LEU 32 HD23 LEU 32 51.248 63.837 33.575 255 H LEU 33 H LEU 33 48.401 64.133 37.978 256 HA LEU 33 HA LEU 33 46.761 62.268 36.506 257 HB2 LEU 33 HB2 LEU 33 47.656 62.370 39.377 258 HB3 LEU 33 HB3 LEU 33 46.928 60.927 38.626 259 HG LEU 33 HG LEU 33 49.611 62.137 37.844 260 HD11 LEU 33 HD11 LEU 33 48.946 59.629 39.434 261 HD12 LEU 33 HD12 LEU 33 50.564 60.175 38.911 262 HD13 LEU 33 HD13 LEU 33 49.617 61.145 40.057 263 HD21 LEU 33 HD21 LEU 33 48.231 60.918 35.982 264 HD22 LEU 33 HD22 LEU 33 49.912 60.577 36.236 265 HD23 LEU 33 HD23 LEU 33 48.663 59.451 36.856 266 H PHE 34 H PHE 34 45.937 64.246 39.487 267 HA PHE 34 HA PHE 34 43.276 63.387 39.644 268 HB2 PHE 34 HB2 PHE 34 44.569 64.808 41.280 269 HB3 PHE 34 HB3 PHE 34 44.214 66.190 40.249 270 HD1 PHE 34 HD1 PHE 34 41.817 66.941 39.922 271 HD2 PHE 34 HD2 PHE 34 42.801 63.695 42.589 272 HE1 PHE 34 HE1 PHE 34 39.569 67.074 40.912 273 HE2 PHE 34 HE2 PHE 34 40.461 63.719 43.445 274 HZ PHE 34 HZ PHE 34 38.844 65.341 42.593 275 H GLU 35 H GLU 35 44.529 66.100 37.615 276 HA GLU 35 HA GLU 35 41.941 67.013 36.751 277 HB2 GLU 35 HB2 GLU 35 43.020 68.429 35.300 278 HB3 GLU 35 HB3 GLU 35 44.004 68.401 36.740 279 HG2 GLU 35 HG2 GLU 35 45.656 66.907 35.569 280 HG3 GLU 35 HG3 GLU 35 44.641 66.941 34.142 281 H LEU 36 H LEU 36 44.129 64.489 35.605 282 HA LEU 36 HA LEU 36 42.854 63.967 33.083 283 HB2 LEU 36 HB2 LEU 36 45.218 63.518 33.478 284 HB3 LEU 36 HB3 LEU 36 44.845 62.506 34.856 285 HG LEU 36 HG LEU 36 43.530 61.476 32.420 286 HD11 LEU 36 HD11 LEU 36 46.569 61.649 32.589 287 HD12 LEU 36 HD12 LEU 36 45.656 60.592 31.472 288 HD13 LEU 36 HD13 LEU 36 45.577 62.368 31.320 289 HD21 LEU 36 HD21 LEU 36 45.574 60.283 34.325 290 HD22 LEU 36 HD22 LEU 36 43.814 60.280 34.568 291 HD23 LEU 36 HD23 LEU 36 44.514 59.407 33.191 292 H PHE 37 H PHE 37 42.661 62.443 36.353 293 HA PHE 37 HA PHE 37 40.967 60.294 35.301 294 HB2 PHE 37 HB2 PHE 37 42.321 60.945 37.905 295 HB3 PHE 37 HB3 PHE 37 41.165 59.593 37.837 296 HD1 PHE 37 HD2 PHE 37 41.724 58.142 35.453 297 HD2 PHE 37 HD1 PHE 37 44.391 60.074 38.187 298 HE1 PHE 37 HE2 PHE 37 43.656 56.767 34.559 299 HE2 PHE 37 HE1 PHE 37 46.300 58.787 37.291 300 HZ PHE 37 HZ PHE 37 45.915 57.120 35.439 301 H HIS 38 H HIS 38 40.445 63.364 36.508 302 HA HIS 38 HA HIS 38 37.742 63.169 37.467 303 HB2 HIS 38 HB2 HIS 38 39.041 65.197 37.483 304 HB3 HIS 38 HB3 HIS 38 39.162 65.223 35.721 305 HD2 HIS 38 HD2 HIS 38 35.785 64.755 37.669 306 HE1 HIS 38 HE1 HIS 38 35.807 68.717 36.164 307 HE2 HIS 38 HE2 HIS 38 34.524 67.049 37.530 308 H GLN 39 H GLN 39 39.044 63.141 34.087 309 HA GLN 39 HA GLN 39 36.596 62.787 32.734 310 HB2 GLN 39 HB2 GLN 39 39.310 61.594 32.135 311 HB3 GLN 39 HB3 GLN 39 37.911 61.559 31.037 312 HG2 GLN 39 HG2 GLN 39 37.699 63.951 31.026 313 HG3 GLN 39 HG3 GLN 39 39.066 64.126 32.165 314 HE21 GLN 39 HE22 GLN 39 40.629 65.075 30.978 315 HE22 GLN 39 HE21 GLN 39 41.324 64.369 29.530 316 H ALA 40 H ALA 40 38.140 60.441 34.862 317 HA ALA 40 HA ALA 40 36.837 58.157 33.498 318 HB1 ALA 40 HB1 ALA 40 39.215 58.039 33.893 319 HB2 ALA 40 HB2 ALA 40 38.952 58.370 35.635 320 HB3 ALA 40 HB3 ALA 40 38.368 56.847 34.900 321 H GLY 41 H GLY 41 36.299 60.254 35.993 322 HA2 GLY 41 HA2 GLY 41 34.060 60.121 37.099 323 HA3 GLY 41 HA3 GLY 41 34.364 58.416 37.376 324 HA PRO 42 HA PRO 42 35.166 60.810 41.141 325 HB2 PRO 42 HB2 PRO 42 34.030 59.193 43.019 326 HB3 PRO 42 HB3 PRO 42 33.074 60.076 41.787 327 HG2 PRO 42 HG2 PRO 42 33.936 57.213 41.734 328 HG3 PRO 42 HG3 PRO 42 32.312 57.924 41.400 329 HD2 PRO 42 HD2 PRO 42 34.156 57.291 39.430 330 HD3 PRO 42 HD3 PRO 42 32.924 58.577 39.255 331 H VAL 43 H VAL 43 37.275 60.967 41.341 332 HA VAL 43 HA VAL 43 39.014 58.873 42.539 333 HB VAL 43 HB VAL 43 39.518 61.593 41.282 334 HG11 VAL 43 HG11 VAL 43 41.611 59.912 42.711 335 HG12 VAL 43 HG12 VAL 43 41.897 61.356 41.710 336 HG13 VAL 43 HG13 VAL 43 40.998 61.514 43.205 337 HG21 VAL 43 HG21 VAL 43 41.056 60.274 39.839 338 HG22 VAL 43 HG22 VAL 43 40.380 58.770 40.507 339 HG23 VAL 43 HG23 VAL 43 39.342 59.885 39.620 340 H ILE 44 H ILE 44 39.341 58.751 44.584 341 HA ILE 44 HA ILE 44 38.417 60.764 46.493 342 HB ILE 44 HB ILE 44 40.027 58.215 46.959 343 HG12 ILE 44 HG12 ILE 44 37.026 58.763 47.137 344 HG13 ILE 44 HG13 ILE 44 37.821 57.635 46.054 345 HG21 ILE 44 HG21 ILE 44 38.458 59.743 49.043 346 HG22 ILE 44 HG22 ILE 44 39.662 58.436 49.268 347 HG23 ILE 44 HG23 ILE 44 40.192 60.016 48.781 348 HD11 ILE 44 HD11 ILE 44 36.682 56.389 47.827 349 HD12 ILE 44 HD12 ILE 44 38.419 56.183 48.012 350 HD13 ILE 44 HD13 ILE 44 37.509 57.287 49.079 351 H LYS 45 H LYS 45 41.571 59.507 45.294 352 HA LYS 45 HA LYS 45 42.961 61.909 45.796 353 HB2 LYS 45 HB2 LYS 45 44.350 61.442 47.647 354 HB3 LYS 45 HB3 LYS 45 42.725 61.141 48.220 355 HG2 LYS 45 HG2 LYS 45 44.105 58.730 47.205 356 HG3 LYS 45 HG3 LYS 45 44.994 59.521 48.467 357 HD2 LYS 45 HD2 LYS 45 42.064 58.710 48.820 358 HD3 LYS 45 HD3 LYS 45 43.438 57.632 49.097 359 HE2 LYS 45 HE2 LYS 45 42.412 58.560 51.134 360 HE3 LYS 45 HE3 LYS 45 44.163 58.786 50.986 361 HZ1 LYS 45 HZ1 LYS 45 42.110 60.849 50.444 362 HZ2 LYS 45 HZ2 LYS 45 43.042 60.783 51.749 363 HZ3 LYS 45 HZ3 LYS 45 43.718 61.068 50.321 364 H VAL 46 H VAL 46 45.208 61.835 45.452 365 HA VAL 46 HA VAL 46 46.062 59.674 43.567 366 HB VAL 46 HB VAL 46 46.395 62.686 43.555 367 HG11 VAL 46 HG11 VAL 46 47.423 60.666 41.527 368 HG12 VAL 46 HG12 VAL 46 47.454 62.460 41.456 369 HG13 VAL 46 HG13 VAL 46 48.403 61.584 42.689 370 HG21 VAL 46 HG21 VAL 46 44.161 62.069 42.834 371 HG22 VAL 46 HG22 VAL 46 45.118 62.538 41.428 372 HG23 VAL 46 HG23 VAL 46 44.789 60.815 41.759 373 H LYS 47 H LYS 47 48.129 58.970 43.562 374 HA LYS 47 HA LYS 47 50.062 60.002 45.529 375 HB2 LYS 47 HB2 LYS 47 49.353 57.833 46.515 376 HB3 LYS 47 HB3 LYS 47 49.398 57.035 44.952 377 HG2 LYS 47 HG2 LYS 47 51.283 56.276 46.216 378 HG3 LYS 47 HG3 LYS 47 51.873 57.235 44.875 379 HD2 LYS 47 HD2 LYS 47 51.913 59.235 46.469 380 HD3 LYS 47 HD3 LYS 47 51.695 58.053 47.787 381 HE2 LYS 47 HE2 LYS 47 53.757 56.921 47.175 382 HE3 LYS 47 HE3 LYS 47 53.995 57.968 45.785 383 HZ1 LYS 47 HZ1 LYS 47 55.279 58.818 47.619 384 HZ2 LYS 47 HZ2 LYS 47 54.058 59.859 47.340 385 HZ3 LYS 47 HZ3 LYS 47 53.945 58.848 48.593 386 H ILE 48 H ILE 48 51.810 60.682 44.738 387 HA ILE 48 HA ILE 48 52.978 59.528 42.247 388 HB ILE 48 HB ILE 48 52.975 62.312 43.402 389 HG12 ILE 48 HG12 ILE 48 51.451 61.554 41.471 390 HG13 ILE 48 HG13 ILE 48 52.457 63.007 41.204 391 HG21 ILE 48 HG21 ILE 48 55.200 61.170 41.752 392 HG22 ILE 48 HG22 ILE 48 54.771 62.897 41.647 393 HG23 ILE 48 HG23 ILE 48 55.285 62.238 43.190 394 HD11 ILE 48 HD11 ILE 48 53.431 60.328 40.204 395 HD12 ILE 48 HD12 ILE 48 52.307 61.360 39.259 396 HD13 ILE 48 HD13 ILE 48 53.903 61.963 39.742 397 HA PRO 49 HA PRO 49 56.103 58.266 45.284 398 HB2 PRO 49 HB2 PRO 49 57.583 56.730 43.520 399 HB3 PRO 49 HB3 PRO 49 56.121 56.149 44.378 400 HG2 PRO 49 HG2 PRO 49 56.419 57.228 41.561 401 HG3 PRO 49 HG3 PRO 49 55.505 55.785 42.128 402 HD2 PRO 49 HD2 PRO 49 54.363 58.260 41.591 403 HD3 PRO 49 HD3 PRO 49 53.707 57.192 42.857 404 H LYS 50 H LYS 50 58.519 58.307 45.137 405 HA LYS 50 HA LYS 50 59.857 59.740 43.080 406 HB2 LYS 50 HB2 LYS 50 59.457 61.224 45.682 407 HB3 LYS 50 HB3 LYS 50 60.891 61.479 44.691 408 HG2 LYS 50 HG2 LYS 50 59.113 61.683 42.713 409 HG3 LYS 50 HG3 LYS 50 58.038 62.182 44.030 410 HD2 LYS 50 HD2 LYS 50 59.566 64.068 44.513 411 HD3 LYS 50 HD3 LYS 50 60.635 63.516 43.204 412 HE2 LYS 50 HE2 LYS 50 58.560 63.652 41.662 413 HE3 LYS 50 HE3 LYS 50 57.776 64.566 42.953 414 HZ1 LYS 50 HZ1 LYS 50 58.796 66.096 41.457 415 HZ2 LYS 50 HZ2 LYS 50 59.790 66.088 42.747 416 HZ3 LYS 50 HZ3 LYS 50 60.188 65.244 41.429 417 H ASP 51 H ASP 51 61.380 58.364 42.866 418 HA ASP 51 HA ASP 51 62.965 56.763 44.605 419 HB2 ASP 51 HB2 ASP 51 62.838 56.676 42.093 420 HB3 ASP 51 HB3 ASP 51 63.639 58.238 42.021 421 H LYS 52 H LYS 52 65.281 57.118 45.083 422 HA LYS 52 HA LYS 52 66.028 59.304 46.553 423 HB2 LYS 52 HB2 LYS 52 68.362 58.557 46.151 424 HB3 LYS 52 HB3 LYS 52 67.274 57.227 46.513 425 HG2 LYS 52 HG2 LYS 52 67.989 56.155 44.727 426 HG3 LYS 52 HG3 LYS 52 67.153 57.340 43.712 427 HD2 LYS 52 HD2 LYS 52 69.170 58.644 43.439 428 HD3 LYS 52 HD3 LYS 52 70.034 57.547 44.558 429 HE2 LYS 52 HE2 LYS 52 70.575 56.982 42.244 430 HE3 LYS 52 HE3 LYS 52 69.688 55.674 43.047 431 HZ1 LYS 52 HZ1 LYS 52 68.784 57.383 40.871 432 HZ2 LYS 52 HZ2 LYS 52 68.718 55.786 41.067 433 HZ3 LYS 52 HZ3 LYS 52 67.667 56.726 41.891 434 H ASP 53 H ASP 53 66.233 59.038 43.019 435 HA ASP 53 HA ASP 53 67.613 61.516 42.530 436 HB2 ASP 53 HB2 ASP 53 67.490 59.537 41.018 437 HB3 ASP 53 HB3 ASP 53 65.765 59.730 40.884 438 H GLY 54 H GLY 54 64.335 60.884 43.432 439 HA2 GLY 54 HA2 GLY 54 62.619 62.353 43.861 440 HA3 GLY 54 HA3 GLY 54 63.538 63.686 43.126 441 H LYS 55 H LYS 55 62.324 60.490 42.147 442 HA LYS 55 HA LYS 55 60.880 61.675 39.860 443 HB2 LYS 55 HB2 LYS 55 63.186 61.076 39.228 444 HB3 LYS 55 HB3 LYS 55 62.852 59.374 39.621 445 HG2 LYS 55 HG2 LYS 55 62.544 59.448 37.273 446 HG3 LYS 55 HG3 LYS 55 60.920 59.576 37.898 447 HD2 LYS 55 HD2 LYS 55 60.898 61.299 36.336 448 HD3 LYS 55 HD3 LYS 55 61.275 62.173 37.801 449 HE2 LYS 55 HE2 LYS 55 63.705 62.125 37.161 450 HE3 LYS 55 HE3 LYS 55 63.259 61.372 35.635 451 HZ1 LYS 55 HZ1 LYS 55 63.307 63.941 35.684 452 HZ2 LYS 55 HZ2 LYS 55 61.921 63.309 35.074 453 HZ3 LYS 55 HZ3 LYS 55 62.004 63.855 36.590 454 HA PRO 56 HA PRO 56 57.851 58.670 41.159 455 HB2 PRO 56 HB2 PRO 56 56.088 58.904 39.016 456 HB3 PRO 56 HB3 PRO 56 56.214 60.094 40.375 457 HG2 PRO 56 HG2 PRO 56 57.497 60.011 37.655 458 HG3 PRO 56 HG3 PRO 56 56.677 61.439 38.405 459 HD2 PRO 56 HD2 PRO 56 59.398 61.185 38.403 460 HD3 PRO 56 HD3 PRO 56 58.561 61.867 39.804 461 H LYS 57 H LYS 57 60.140 57.761 39.259 462 HA LYS 57 HA LYS 57 60.786 55.813 38.101 463 HB2 LYS 57 HB2 LYS 57 58.661 54.425 39.679 464 HB3 LYS 57 HB3 LYS 57 60.206 53.794 39.074 465 HG2 LYS 57 HG2 LYS 57 60.716 53.921 41.241 466 HG3 LYS 57 HG3 LYS 57 61.245 55.539 40.771 467 HD2 LYS 57 HD2 LYS 57 59.088 56.478 41.537 468 HD3 LYS 57 HD3 LYS 57 58.495 54.849 41.947 469 HE2 LYS 57 HE2 LYS 57 61.074 55.836 43.114 470 HE3 LYS 57 HE3 LYS 57 59.547 56.523 43.717 471 HZ1 LYS 57 HZ1 LYS 57 58.803 54.336 44.310 472 HZ2 LYS 57 HZ2 LYS 57 60.136 53.647 43.750 473 HZ3 LYS 57 HZ3 LYS 57 60.232 54.660 45.023 474 H GLN 58 H GLN 58 58.587 57.257 36.697 475 HA GLN 58 HA GLN 58 56.993 57.116 35.268 476 HB2 GLN 58 HB2 GLN 58 58.533 54.640 34.469 477 HB3 GLN 58 HB3 GLN 58 57.141 55.198 33.524 478 HG2 GLN 58 HG2 GLN 58 58.497 57.499 33.533 479 HG3 GLN 58 HG3 GLN 58 59.846 56.421 33.880 480 HE21 GLN 58 HE21 GLN 58 57.083 56.732 31.482 481 HE22 GLN 58 HE22 GLN 58 57.871 55.733 30.272 482 H PHE 59 H PHE 59 56.096 56.278 37.690 483 HA PHE 59 HA PHE 59 53.605 55.102 36.855 484 HB2 PHE 59 HB2 PHE 59 53.476 53.220 38.184 485 HB3 PHE 59 HB3 PHE 59 54.979 53.114 37.292 486 HD1 PHE 59 HD1 PHE 59 53.541 53.760 40.697 487 HD2 PHE 59 HD2 PHE 59 57.074 52.806 38.423 488 HE1 PHE 59 HE1 PHE 59 54.792 53.293 42.804 489 HE2 PHE 59 HE2 PHE 59 58.259 52.232 40.500 490 HZ PHE 59 HZ PHE 59 57.152 52.531 42.703 491 H ALA 60 H ALA 60 51.973 55.019 38.668 492 HA ALA 60 HA ALA 60 52.345 56.484 41.127 493 HB1 ALA 60 HB1 ALA 60 52.298 58.345 39.485 494 HB2 ALA 60 HB2 ALA 60 50.764 57.725 38.837 495 HB3 ALA 60 HB3 ALA 60 50.857 58.378 40.494 496 H PHE 61 H PHE 61 50.121 56.760 42.169 497 HA PHE 61 HA PHE 61 48.262 54.515 41.472 498 HB2 PHE 61 HB2 PHE 61 49.693 55.009 44.054 499 HB3 PHE 61 HB3 PHE 61 48.051 54.458 44.123 500 HD1 PHE 61 HD1 PHE 61 47.430 52.120 43.318 501 HD2 PHE 61 HD2 PHE 61 51.502 53.518 43.215 502 HE1 PHE 61 HE1 PHE 61 48.247 49.780 43.506 503 HE2 PHE 61 HE2 PHE 61 52.302 51.158 43.386 504 HZ PHE 61 HZ PHE 61 50.682 49.302 43.416 505 H VAL 62 H VAL 62 46.177 54.818 41.883 506 HA VAL 62 HA VAL 62 45.164 57.490 42.824 507 HB VAL 62 HB VAL 62 43.964 55.865 40.537 508 HG11 VAL 62 HG11 VAL 62 43.476 58.699 41.482 509 HG12 VAL 62 HG12 VAL 62 42.703 57.894 40.092 510 HG13 VAL 62 HG13 VAL 62 42.355 57.321 41.715 511 HG21 VAL 62 HG21 VAL 62 46.125 56.774 39.749 512 HG22 VAL 62 HG22 VAL 62 44.800 57.776 39.129 513 HG23 VAL 62 HG23 VAL 62 45.782 58.333 40.506 514 H ASN 63 H ASN 63 43.576 57.453 44.318 515 HA ASN 63 HA ASN 63 42.586 54.826 45.239 516 HB2 ASN 63 HB2 ASN 63 43.639 56.648 46.847 517 HB3 ASN 63 HB3 ASN 63 42.112 57.458 46.651 518 HD21 ASN 63 HD22 ASN 63 42.994 53.916 47.312 519 HD22 ASN 63 HD21 ASN 63 41.865 53.857 48.637 520 H PHE 64 H PHE 64 40.412 54.293 45.086 521 HA PHE 64 HA PHE 64 38.688 56.053 43.432 522 HB2 PHE 64 HB2 PHE 64 38.122 54.174 42.056 523 HB3 PHE 64 HB3 PHE 64 39.836 54.451 42.029 524 HD1 PHE 64 HD1 PHE 64 37.235 52.229 43.566 525 HD2 PHE 64 HD2 PHE 64 41.360 52.625 42.402 526 HE1 PHE 64 HE1 PHE 64 37.519 49.773 43.728 527 HE2 PHE 64 HE2 PHE 64 41.645 50.164 42.574 528 HZ PHE 64 HZ PHE 64 39.734 48.736 43.273 529 H LYS 65 H LYS 65 36.304 55.273 43.358 530 HA LYS 65 HA LYS 65 35.468 54.944 46.176 531 HB2 LYS 65 HB2 LYS 65 35.015 57.052 44.824 532 HB3 LYS 65 HB3 LYS 65 33.868 56.076 43.880 533 HG2 LYS 65 HG2 LYS 65 32.522 55.616 45.797 534 HG3 LYS 65 HG3 LYS 65 33.727 56.279 46.910 535 HD2 LYS 65 HD2 LYS 65 33.274 58.570 45.959 536 HD3 LYS 65 HD3 LYS 65 32.176 57.840 44.789 537 HE2 LYS 65 HE2 LYS 65 30.654 57.088 46.464 538 HE3 LYS 65 HE3 LYS 65 31.793 57.400 47.783 539 HZ1 LYS 65 HZ1 LYS 65 30.069 59.062 47.606 540 HZ2 LYS 65 HZ2 LYS 65 31.532 59.745 47.358 541 HZ3 LYS 65 HZ3 LYS 65 30.545 59.438 46.084 542 H HIS 66 H HIS 66 34.432 53.858 42.877 543 HA HIS 66 HA HIS 66 33.120 51.482 44.108 544 HB2 HIS 66 HB2 HIS 66 31.018 51.951 43.128 545 HB3 HIS 66 HB3 HIS 66 31.535 53.459 43.859 546 HD2 HIS 66 HD2 HIS 66 29.665 52.684 40.966 547 HE1 HIS 66 HE1 HIS 66 32.581 55.228 39.209 548 HE2 HIS 66 HE2 HIS 66 30.289 54.206 38.917 549 H GLU 67 H GLU 67 35.096 52.424 41.440 550 HA GLU 67 HA GLU 67 33.995 50.510 39.533 551 HB2 GLU 67 HB2 GLU 67 35.790 51.244 38.050 552 HB3 GLU 67 HB3 GLU 67 34.942 52.620 38.704 553 HG2 GLU 67 HG2 GLU 67 36.713 52.715 40.556 554 HG3 GLU 67 HG3 GLU 67 37.663 51.582 39.604 555 H VAL 68 H VAL 68 34.456 49.282 41.853 556 HA VAL 68 HA VAL 68 36.850 47.920 42.256 557 HB VAL 68 HB VAL 68 33.991 46.970 42.847 558 HG11 VAL 68 HG11 VAL 68 36.573 46.462 44.395 559 HG12 VAL 68 HG12 VAL 68 34.954 45.964 44.897 560 HG13 VAL 68 HG13 VAL 68 35.670 45.237 43.458 561 HG21 VAL 68 HG21 VAL 68 34.243 49.279 43.736 562 HG22 VAL 68 HG22 VAL 68 34.100 48.111 45.017 563 HG23 VAL 68 HG23 VAL 68 35.694 48.747 44.648 564 H SER 69 H SER 69 37.661 45.956 41.554 565 HA SER 69 HA SER 69 38.256 44.257 40.239 566 HB2 SER 69 HB2 SER 69 35.507 43.950 39.120 567 HB3 SER 69 HB3 SER 69 36.782 42.744 39.360 568 HG SER 69 HG SER 69 34.903 43.422 40.938 569 H VAL 70 H VAL 70 36.625 46.825 38.451 570 HA VAL 70 HA VAL 70 38.632 46.457 36.339 571 HB VAL 70 HB VAL 70 37.031 44.938 35.609 572 HG11 VAL 70 HG11 VAL 70 34.913 45.594 34.628 573 HG12 VAL 70 HG12 VAL 70 34.951 45.647 36.409 574 HG13 VAL 70 HG13 VAL 70 34.976 47.156 35.464 575 HG21 VAL 70 HG21 VAL 70 36.681 45.984 33.295 576 HG22 VAL 70 HG22 VAL 70 37.534 47.404 33.944 577 HG23 VAL 70 HG23 VAL 70 38.328 45.815 33.902 578 HA PRO 71 HA PRO 71 38.179 50.786 37.415 579 HB2 PRO 71 HB2 PRO 71 40.895 50.793 36.203 580 HB3 PRO 71 HB3 PRO 71 40.225 51.597 37.676 581 HG2 PRO 71 HG2 PRO 71 41.696 49.272 37.901 582 HG3 PRO 71 HG3 PRO 71 40.255 49.622 38.930 583 HD2 PRO 71 HD2 PRO 71 40.472 47.847 36.505 584 HD3 PRO 71 HD3 PRO 71 39.598 47.603 38.046 585 H TYR 72 H TYR 72 37.595 52.399 36.395 586 HA TYR 72 HA TYR 72 36.431 52.149 33.812 587 HB2 TYR 72 HB2 TYR 72 35.490 53.299 35.829 588 HB3 TYR 72 HB3 TYR 72 36.576 54.653 35.530 589 HD1 TYR 72 HD1 TYR 72 36.445 56.042 33.590 590 HD2 TYR 72 HD2 TYR 72 33.578 52.886 34.245 591 HE1 TYR 72 HE1 TYR 72 34.823 57.188 32.059 592 HE2 TYR 72 HE2 TYR 72 32.036 53.965 32.629 593 HH TYR 72 HH TYR 72 32.714 57.069 31.159 594 H ALA 73 H ALA 73 39.233 54.096 35.107 595 HA ALA 73 HA ALA 73 39.661 55.668 32.840 596 HB1 ALA 73 HB1 ALA 73 41.640 54.499 34.827 597 HB2 ALA 73 HB2 ALA 73 42.005 55.803 33.659 598 HB3 ALA 73 HB3 ALA 73 40.841 56.083 34.965 599 H MET 74 H MET 74 40.470 52.253 33.304 600 HA MET 74 HA MET 74 42.612 52.017 31.431 601 HB2 MET 74 HB2 MET 74 42.384 50.448 33.129 602 HB3 MET 74 HB3 MET 74 40.671 50.129 32.740 603 HG2 MET 74 HG2 MET 74 41.221 48.915 30.819 604 HG3 MET 74 HG3 MET 74 42.907 49.442 30.844 605 HE1 MET 74 HE1 MET 74 41.225 46.635 34.197 606 HE2 MET 74 HE2 MET 74 40.846 48.352 34.063 607 HE3 MET 74 HE3 MET 74 40.195 47.198 32.868 608 H ASN 75 H ASN 75 39.165 52.178 30.931 609 HA ASN 75 HA ASN 75 39.410 51.594 28.010 610 HB2 ASN 75 HB2 ASN 75 37.531 50.491 29.216 611 HB3 ASN 75 HB3 ASN 75 37.045 52.024 29.888 612 HD21 ASN 75 HD22 ASN 75 35.780 53.444 28.614 613 HD22 ASN 75 HD21 ASN 75 35.318 53.115 26.949 614 H LEU 76 H LEU 76 39.036 54.246 30.297 615 HA LEU 76 HA LEU 76 37.970 56.067 28.255 616 HB2 LEU 76 HB2 LEU 76 37.381 55.660 30.778 617 HB3 LEU 76 HB3 LEU 76 38.759 56.701 31.089 618 HG LEU 76 HG LEU 76 36.734 57.959 31.183 619 HD11 LEU 76 HD11 LEU 76 37.738 58.673 28.410 620 HD12 LEU 76 HD12 LEU 76 37.125 59.746 29.673 621 HD13 LEU 76 HD13 LEU 76 38.714 58.956 29.861 622 HD21 LEU 76 HD21 LEU 76 35.252 56.455 29.865 623 HD22 LEU 76 HD22 LEU 76 35.095 58.140 29.346 624 HD23 LEU 76 HD23 LEU 76 36.025 56.992 28.364 625 H LEU 77 H LEU 77 40.987 55.730 30.045 626 HA LEU 77 HA LEU 77 42.265 57.792 28.292 627 HB2 LEU 77 HB2 LEU 77 43.148 56.919 31.028 628 HB3 LEU 77 HB3 LEU 77 43.938 58.088 29.919 629 HG LEU 77 HG LEU 77 42.968 59.404 31.498 630 HD11 LEU 77 HD11 LEU 77 41.039 60.584 30.553 631 HD12 LEU 77 HD12 LEU 77 42.247 60.287 29.280 632 HD13 LEU 77 HD13 LEU 77 40.791 59.282 29.372 633 HD21 LEU 77 HD21 LEU 77 40.160 58.476 31.481 634 HD22 LEU 77 HD22 LEU 77 41.319 57.355 32.217 635 HD23 LEU 77 HD23 LEU 77 41.207 59.048 32.781 636 H ASN 78 H ASN 78 44.125 55.440 30.132 637 HA ASN 78 HA ASN 78 45.896 54.160 29.365 638 HB2 ASN 78 HB2 ASN 78 43.824 52.983 29.942 639 HB3 ASN 78 HB3 ASN 78 43.400 52.876 28.231 640 HD21 ASN 78 HD22 ASN 78 45.371 51.751 26.929 641 HD22 ASN 78 HD21 ASN 78 45.978 50.288 27.678 642 H GLY 79 H GLY 79 46.603 56.024 27.815 643 HA2 GLY 79 HA2 GLY 79 47.949 55.193 25.720 644 HA3 GLY 79 HA3 GLY 79 46.342 55.252 24.952 645 H ILE 80 H ILE 80 47.051 57.690 27.349 646 HA ILE 80 HA ILE 80 46.867 59.696 25.144 647 HB ILE 80 HB ILE 80 45.107 60.843 26.174 648 HG12 ILE 80 HG12 ILE 80 44.177 59.507 28.360 649 HG13 ILE 80 HG13 ILE 80 45.943 59.522 28.616 650 HG21 ILE 80 HG21 ILE 80 44.511 57.849 26.416 651 HG22 ILE 80 HG22 ILE 80 43.313 59.120 26.198 652 HG23 ILE 80 HG23 ILE 80 44.500 58.786 24.915 653 HD11 ILE 80 HD11 ILE 80 45.910 62.037 28.397 654 HD12 ILE 80 HD12 ILE 80 44.217 61.977 27.928 655 HD13 ILE 80 HD13 ILE 80 44.661 61.548 29.572 656 H LYS 81 H LYS 81 47.670 61.708 25.591 657 HA LYS 81 HA LYS 81 48.848 62.433 28.075 658 HB2 LYS 81 HB2 LYS 81 51.287 62.547 27.105 659 HB3 LYS 81 HB3 LYS 81 50.638 61.065 27.761 660 HG2 LYS 81 HG2 LYS 81 51.818 60.498 25.800 661 HG3 LYS 81 HG3 LYS 81 50.091 60.281 25.494 662 HD2 LYS 81 HD2 LYS 81 50.057 62.354 24.144 663 HD3 LYS 81 HD3 LYS 81 51.736 62.711 24.622 664 HE2 LYS 81 HE2 LYS 81 52.488 60.572 23.623 665 HE3 LYS 81 HE3 LYS 81 50.831 60.156 23.217 666 HZ1 LYS 81 HZ1 LYS 81 52.309 62.471 22.113 667 HZ2 LYS 81 HZ2 LYS 81 52.164 61.057 21.374 668 HZ3 LYS 81 HZ3 LYS 81 50.828 61.980 21.629 669 H LEU 82 H LEU 82 50.173 64.499 27.765 670 HA LEU 82 HA LEU 82 49.905 65.807 25.127 671 HB2 LEU 82 HB2 LEU 82 48.029 66.679 26.496 672 HB3 LEU 82 HB3 LEU 82 49.165 67.255 27.701 673 HG LEU 82 HG LEU 82 50.137 68.745 25.828 674 HD11 LEU 82 HD11 LEU 82 48.480 69.321 24.053 675 HD12 LEU 82 HD12 LEU 82 49.141 67.684 23.807 676 HD13 LEU 82 HD13 LEU 82 47.514 67.899 24.466 677 HD21 LEU 82 HD21 LEU 82 47.215 68.992 26.687 678 HD22 LEU 82 HD22 LEU 82 48.607 69.521 27.655 679 HD23 LEU 82 HD23 LEU 82 48.211 70.359 26.156 680 H TYR 83 H TYR 83 51.723 65.227 28.087 681 HA TYR 83 HA TYR 83 54.029 66.732 27.237 682 HB2 TYR 83 HB2 TYR 83 53.651 64.353 29.074 683 HB3 TYR 83 HB3 TYR 83 55.223 65.120 28.716 684 HD1 TYR 83 HD1 TYR 83 54.530 67.991 28.782 685 HD2 TYR 83 HD2 TYR 83 53.514 64.716 31.408 686 HE1 TYR 83 HE1 TYR 83 54.583 69.532 30.709 687 HE2 TYR 83 HE2 TYR 83 53.623 66.306 33.368 688 HH TYR 83 HH TYR 83 54.552 69.571 33.098 689 H GLY 84 H GLY 84 53.610 63.132 27.272 690 HA2 GLY 84 HA2 GLY 84 54.909 62.854 24.665 691 HA3 GLY 84 HA3 GLY 84 56.034 62.711 26.026 692 H ARG 85 H ARG 85 54.827 61.234 27.912 693 HA ARG 85 HA ARG 85 54.704 58.614 26.530 694 HB2 ARG 85 HB2 ARG 85 55.553 59.075 29.424 695 HB3 ARG 85 HB3 ARG 85 55.280 57.572 28.587 696 HG2 ARG 85 HG2 ARG 85 57.562 57.767 28.350 697 HG3 ARG 85 HG3 ARG 85 56.991 58.483 26.810 698 HD2 ARG 85 HD2 ARG 85 57.261 60.682 27.724 699 HD3 ARG 85 HD3 ARG 85 57.812 59.980 29.287 700 HE ARG 85 HE ARG 85 59.541 58.871 27.403 701 HH11 ARG 85 HH11 ARG 85 58.677 62.297 27.980 702 HH12 ARG 85 HH12 ARG 85 60.157 62.785 27.204 703 HH21 ARG 85 HH21 ARG 85 61.427 59.730 26.595 704 HH22 ARG 85 HH22 ARG 85 61.607 61.470 26.533 705 HA PRO 86 HA PRO 86 50.492 58.955 27.541 706 HB2 PRO 86 HB2 PRO 86 49.572 56.602 26.490 707 HB3 PRO 86 HB3 PRO 86 50.153 57.986 25.477 708 HG2 PRO 86 HG2 PRO 86 51.761 55.560 26.370 709 HG3 PRO 86 HG3 PRO 86 51.521 56.184 24.692 710 HD2 PRO 86 HD2 PRO 86 53.680 56.849 26.152 711 HD3 PRO 86 HD3 PRO 86 52.833 58.111 25.194 712 H ILE 87 H ILE 87 49.430 58.706 29.305 713 HA ILE 87 HA ILE 87 50.059 57.066 31.523 714 HB ILE 87 HB ILE 87 47.547 58.441 30.518 715 HG12 ILE 87 HG12 ILE 87 49.118 60.047 31.214 716 HG13 ILE 87 HG13 ILE 87 47.895 59.968 32.464 717 HG21 ILE 87 HG21 ILE 87 46.608 56.673 31.794 718 HG22 ILE 87 HG22 ILE 87 47.853 56.765 33.015 719 HG23 ILE 87 HG23 ILE 87 46.632 58.081 32.873 720 HD11 ILE 87 HD11 ILE 87 50.682 58.756 32.658 721 HD12 ILE 87 HD12 ILE 87 50.076 60.170 33.523 722 HD13 ILE 87 HD13 ILE 87 49.404 58.578 33.891 723 H LYS 88 H LYS 88 49.880 55.020 31.809 724 HA LYS 88 HA LYS 88 47.843 53.395 30.388 725 HB2 LYS 88 HB2 LYS 88 50.216 53.116 29.718 726 HB3 LYS 88 HB3 LYS 88 50.658 52.729 31.387 727 HG2 LYS 88 HG2 LYS 88 50.488 50.794 29.910 728 HG3 LYS 88 HG3 LYS 88 49.525 50.724 31.408 729 HD2 LYS 88 HD2 LYS 88 47.496 51.157 30.244 730 HD3 LYS 88 HD3 LYS 88 48.363 51.470 28.697 731 HE2 LYS 88 HE2 LYS 88 48.670 48.906 30.278 732 HE3 LYS 88 HE3 LYS 88 47.334 49.095 29.129 733 HZ1 LYS 88 HZ1 LYS 88 49.418 49.817 27.634 734 HZ2 LYS 88 HZ2 LYS 88 50.126 48.702 28.632 735 HZ3 LYS 88 HZ3 LYS 88 48.828 48.338 27.700 736 H ILE 89 H ILE 89 46.263 52.656 31.629 737 HA ILE 89 HA ILE 89 46.701 52.507 34.568 738 HB ILE 89 HB ILE 89 44.124 52.273 33.019 739 HG12 ILE 89 HG12 ILE 89 43.903 54.478 34.583 740 HG13 ILE 89 HG13 ILE 89 45.623 54.564 34.285 741 HG21 ILE 89 HG21 ILE 89 44.742 52.278 36.010 742 HG22 ILE 89 HG22 ILE 89 43.121 52.520 35.337 743 HG23 ILE 89 HG23 ILE 89 43.957 50.993 35.070 744 HD11 ILE 89 HD11 ILE 89 43.369 54.436 32.235 745 HD12 ILE 89 HD12 ILE 89 44.370 55.863 32.608 746 HD13 ILE 89 HD13 ILE 89 45.059 54.482 31.741 747 H GLN 90 H GLN 90 46.863 50.654 35.729 748 HA GLN 90 HA GLN 90 46.046 48.127 34.472 749 HB2 GLN 90 HB2 GLN 90 48.658 48.253 35.996 750 HB3 GLN 90 HB3 GLN 90 48.016 46.947 35.011 751 HG2 GLN 90 HG2 GLN 90 48.270 48.451 32.976 752 HG3 GLN 90 HG3 GLN 90 49.069 49.625 33.996 753 HE21 GLN 90 HE22 GLN 90 49.526 47.110 31.876 754 HE22 GLN 90 HE21 GLN 90 51.107 46.539 32.360 755 H PHE 91 H PHE 91 45.639 46.445 35.690 756 HA PHE 91 HA PHE 91 45.296 46.413 38.583 757 HB2 PHE 91 HB2 PHE 91 43.494 47.997 37.573 758 HB3 PHE 91 HB3 PHE 91 42.726 46.572 36.953 759 HD1 PHE 91 HD2 PHE 91 44.056 48.151 40.046 760 HD2 PHE 91 HD1 PHE 91 41.065 45.456 38.492 761 HE1 PHE 91 HE2 PHE 91 43.051 47.968 42.295 762 HE2 PHE 91 HE1 PHE 91 40.003 45.386 40.711 763 HZ PHE 91 HZ PHE 91 41.066 46.512 42.657 764 H ARG 92 H ARG 92 45.275 44.285 39.192 765 HA ARG 92 HA ARG 92 44.695 42.027 37.380 766 HB2 ARG 92 HB2 ARG 92 45.337 42.183 40.356 767 HB3 ARG 92 HB3 ARG 92 45.268 40.696 39.433 768 HG2 ARG 92 HG2 ARG 92 47.174 42.932 38.585 769 HG3 ARG 92 HG3 ARG 92 47.550 41.877 39.938 770 HD2 ARG 92 HD2 ARG 92 48.574 40.795 38.257 771 HD3 ARG 92 HD3 ARG 92 47.036 39.926 38.293 772 HE ARG 92 HE ARG 92 46.909 42.118 36.375 773 HH11 ARG 92 HH11 ARG 92 48.274 38.873 36.828 774 HH12 ARG 92 HH12 ARG 92 48.702 38.796 35.133 775 HH21 ARG 92 HH21 ARG 92 46.922 41.466 34.123 776 HH22 ARG 92 HH22 ARG 92 47.658 39.902 33.765 777 H SER 93 H SER 93 42.979 40.756 37.308 778 HA SER 93 HA SER 93 40.492 42.000 37.544 779 HB2 SER 93 HB2 SER 93 39.659 39.684 36.947 780 HB3 SER 93 HB3 SER 93 40.822 40.461 35.856 781 HG SER 93 HG SER 93 41.140 38.174 36.591 782 H GLY 94 H GLY 94 39.606 42.606 39.337 783 HA2 GLY 94 HA2 GLY 94 40.046 41.516 41.949 784 HA3 GLY 94 HA3 GLY 94 38.960 42.814 41.525 785 H SER 95 H SER 95 37.535 40.599 39.731 786 HA SER 95 HA SER 95 36.502 38.812 41.808 787 HB2 SER 95 HB2 SER 95 34.651 40.829 40.462 788 HB3 SER 95 HB3 SER 95 34.117 39.360 41.316 789 HG SER 95 HG SER 95 35.605 41.504 42.338 790 H SER 96 H SER 96 35.737 36.890 41.139 791 HA SER 96 HA SER 96 35.307 36.431 38.240 792 HB2 SER 96 HB2 SER 96 36.322 34.580 40.399 793 HB3 SER 96 HB3 SER 96 35.632 33.977 38.880 794 HG SER 96 HG SER 96 37.873 34.375 38.859 795 H HIS 97 H HIS 97 33.693 35.249 37.574 796 HA HIS 97 HA HIS 97 31.161 35.657 38.997 797 HB2 HIS 97 HB2 HIS 97 31.800 36.831 36.819 798 HB3 HIS 97 HB3 HIS 97 31.732 35.292 36.029 799 HD2 HIS 97 HD2 HIS 97 29.363 34.223 35.488 800 HE1 HIS 97 HE1 HIS 97 26.898 37.397 36.825 801 HE2 HIS 97 HE2 HIS 97 26.955 35.232 35.568 802 H ALA 98 H ALA 98 33.203 33.091 37.919 803 HA ALA 98 HA ALA 98 33.156 30.895 38.112 804 HB1 ALA 98 HB1 ALA 98 31.791 29.798 39.654 805 HB2 ALA 98 HB2 ALA 98 32.039 31.432 40.288 806 HB3 ALA 98 HB3 ALA 98 30.494 31.005 39.531 807 HA PRO 99 HA PRO 99 30.977 29.117 34.665 808 HB2 PRO 99 HB2 PRO 99 31.057 26.411 35.374 809 HB3 PRO 99 HB3 PRO 99 32.268 27.277 34.409 810 HG2 PRO 99 HG2 PRO 99 32.296 26.459 37.246 811 HG3 PRO 99 HG3 PRO 99 33.695 26.820 36.159 812 HD2 PRO 99 HD2 PRO 99 32.754 28.429 38.232 813 HD3 PRO 99 HD3 PRO 99 33.787 28.983 36.886 814 H GLN 100 H GLN 100 29.118 27.676 34.226 815 HA GLN 100 HA GLN 100 26.998 28.462 36.106 816 HB2 GLN 100 HB2 GLN 100 25.564 28.336 34.164 817 HB3 GLN 100 HB3 GLN 100 27.091 29.161 33.711 818 HG2 GLN 100 HG2 GLN 100 27.879 26.821 32.901 819 HG3 GLN 100 HG3 GLN 100 26.200 26.320 33.043 820 HE21 GLN 100 HE22 GLN 100 24.657 27.102 31.536 821 HE22 GLN 100 HE21 GLN 100 25.195 27.915 30.056 822 H ASP 101 H ASP 101 28.357 25.586 34.879 823 HA ASP 101 HA ASP 101 26.031 23.876 35.166 824 HB2 ASP 101 HB2 ASP 101 27.365 22.183 34.106 825 HB3 ASP 101 HB3 ASP 101 27.503 23.712 33.270 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 64.010 44.681 30.146 2 H2 GLY 1 H2 GLY 1 64.467 43.762 28.860 3 H3 GLY 1 H3 GLY 1 63.235 43.278 29.827 4 HA2 GLY 1 HA2 GLY 1 63.168 45.671 28.127 5 HA3 GLY 1 HA3 GLY 1 62.394 44.104 27.755 6 H SER 2 H SER 2 60.265 44.335 28.069 7 HA SER 2 HA SER 2 59.220 46.423 29.742 8 HB2 SER 2 HB2 SER 2 57.721 44.154 28.375 9 HB3 SER 2 HB3 SER 2 57.023 45.540 29.242 10 HG SER 2 HG SER 2 57.645 46.821 27.692 11 H GLU 3 H GLU 3 58.751 46.346 31.893 12 HA GLU 3 HA GLU 3 58.464 45.729 33.985 13 HB2 GLU 3 HB2 GLU 3 56.707 43.519 32.832 14 HB3 GLU 3 HB3 GLU 3 56.528 44.347 34.396 15 HG2 GLU 3 HG2 GLU 3 56.177 46.485 33.110 16 HG3 GLU 3 HG3 GLU 3 56.161 45.534 31.610 17 H PHE 4 H PHE 4 60.654 44.182 32.738 18 HA PHE 4 HA PHE 4 61.141 41.811 34.120 19 HB2 PHE 4 HB2 PHE 4 62.507 42.911 32.318 20 HB3 PHE 4 HB3 PHE 4 62.904 44.181 33.450 21 HD1 PHE 4 HD2 PHE 4 62.837 40.398 33.440 22 HD2 PHE 4 HD1 PHE 4 65.018 43.973 34.412 23 HE1 PHE 4 HE2 PHE 4 64.723 39.011 34.213 24 HE2 PHE 4 HE1 PHE 4 66.873 42.593 35.320 25 HZ PHE 4 HZ PHE 4 66.743 40.087 35.181 26 H GLU 5 H GLU 5 61.622 45.161 35.383 27 HA GLU 5 HA GLU 5 62.519 44.161 38.010 28 HB2 GLU 5 HB2 GLU 5 63.357 46.250 38.397 29 HB3 GLU 5 HB3 GLU 5 63.511 46.098 36.657 30 HG2 GLU 5 HG2 GLU 5 61.054 47.211 36.745 31 HG3 GLU 5 HG3 GLU 5 61.669 47.803 38.287 32 H LEU 6 H LEU 6 59.405 44.683 36.836 33 HA LEU 6 HA LEU 6 58.195 45.727 39.276 34 HB2 LEU 6 HB2 LEU 6 57.277 44.625 36.633 35 HB3 LEU 6 HB3 LEU 6 56.163 44.500 37.939 36 HG LEU 6 HG LEU 6 56.060 46.511 36.428 37 HD11 LEU 6 HD11 LEU 6 54.807 46.063 38.639 38 HD12 LEU 6 HD12 LEU 6 56.072 46.982 39.467 39 HD13 LEU 6 HD13 LEU 6 55.011 47.775 38.289 40 HD21 LEU 6 HD21 LEU 6 58.508 47.345 36.857 41 HD22 LEU 6 HD22 LEU 6 57.201 48.525 36.993 42 HD23 LEU 6 HD23 LEU 6 57.910 47.844 38.454 43 H ARG 7 H ARG 7 56.359 44.381 40.299 44 HA ARG 7 HA ARG 7 57.503 41.952 41.362 45 HB2 ARG 7 HB2 ARG 7 54.673 43.033 41.670 46 HB3 ARG 7 HB3 ARG 7 55.376 41.643 42.492 47 HG2 ARG 7 HG2 ARG 7 55.530 43.224 44.116 48 HG3 ARG 7 HG3 ARG 7 57.159 43.225 43.427 49 HD2 ARG 7 HD2 ARG 7 56.734 45.328 42.284 50 HD3 ARG 7 HD3 ARG 7 55.017 45.261 42.701 51 HE ARG 7 HE ARG 7 55.440 46.226 44.736 52 HH11 ARG 7 HH11 ARG 7 58.615 45.018 43.602 53 HH12 ARG 7 HH12 ARG 7 59.410 46.042 44.768 54 HH21 ARG 7 HH21 ARG 7 56.572 47.340 46.074 55 HH22 ARG 7 HH22 ARG 7 58.326 47.326 46.085 56 H ARG 8 H ARG 8 57.539 40.077 40.398 57 HA ARG 8 HA ARG 8 55.813 39.427 38.043 58 HB2 ARG 8 HB2 ARG 8 58.400 38.324 39.144 59 HB3 ARG 8 HB3 ARG 8 57.490 37.509 37.875 60 HG2 ARG 8 HG2 ARG 8 57.643 39.507 36.412 61 HG3 ARG 8 HG3 ARG 8 58.643 40.338 37.625 62 HD2 ARG 8 HD2 ARG 8 59.737 37.749 36.954 63 HD3 ARG 8 HD3 ARG 8 59.374 38.646 35.477 64 HE ARG 8 HE ARG 8 60.759 40.580 36.750 65 HH11 ARG 8 HH11 ARG 8 61.367 37.217 36.027 66 HH12 ARG 8 HH12 ARG 8 63.105 37.453 36.155 67 HH21 ARG 8 HH21 ARG 8 62.981 40.756 36.921 68 HH22 ARG 8 HH22 ARG 8 63.992 39.383 36.538 69 H GLN 9 H GLN 9 55.697 38.813 41.347 70 HA GLN 9 HA GLN 9 55.391 36.036 41.625 71 HB2 GLN 9 HB2 GLN 9 54.285 38.312 43.292 72 HB3 GLN 9 HB3 GLN 9 54.223 36.622 43.767 73 HG2 GLN 9 HG2 GLN 9 56.077 37.647 44.880 74 HG3 GLN 9 HG3 GLN 9 56.614 36.395 43.779 75 HE21 GLN 9 HE22 GLN 9 58.800 37.223 43.477 76 HE22 GLN 9 HE21 GLN 9 59.004 38.698 42.529 77 H GLN 10 H GLN 10 53.403 34.727 42.071 78 HA GLN 10 HA GLN 10 51.405 34.994 40.087 79 HB2 GLN 10 HB2 GLN 10 50.222 33.192 41.387 80 HB3 GLN 10 HB3 GLN 10 51.853 32.834 40.801 81 HG2 GLN 10 HG2 GLN 10 52.725 33.295 43.111 82 HG3 GLN 10 HG3 GLN 10 51.055 33.603 43.649 83 HE21 GLN 10 HE22 GLN 10 50.947 31.795 45.136 84 HE22 GLN 10 HE21 GLN 10 51.124 30.134 44.579 85 H ALA 11 H ALA 11 51.341 36.276 43.381 86 HA ALA 11 HA ALA 11 48.649 37.451 42.889 87 HB1 ALA 11 HB1 ALA 11 48.614 35.350 44.293 88 HB2 ALA 11 HB2 ALA 11 49.531 36.270 45.517 89 HB3 ALA 11 HB3 ALA 11 47.897 36.793 45.032 90 H LEU 12 H LEU 12 48.272 39.135 44.755 91 HA LEU 12 HA LEU 12 50.440 41.092 44.480 92 HB2 LEU 12 HB2 LEU 12 47.699 41.309 45.749 93 HB3 LEU 12 HB3 LEU 12 48.733 42.661 45.278 94 HG LEU 12 HG LEU 12 47.475 40.693 43.329 95 HD11 LEU 12 HD11 LEU 12 46.648 43.548 44.011 96 HD12 LEU 12 HD12 LEU 12 46.019 42.577 42.669 97 HD13 LEU 12 HD13 LEU 12 45.716 42.084 44.346 98 HD21 LEU 12 HD21 LEU 12 49.624 41.964 42.574 99 HD22 LEU 12 HD22 LEU 12 48.182 42.107 41.553 100 HD23 LEU 12 HD23 LEU 12 48.611 43.424 42.638 101 H ALA 13 H ALA 13 50.966 42.482 46.214 102 HA ALA 13 HA ALA 13 50.749 41.473 48.957 103 HB1 ALA 13 HB1 ALA 13 52.747 40.419 48.014 104 HB2 ALA 13 HB2 ALA 13 53.458 42.019 47.706 105 HB3 ALA 13 HB3 ALA 13 53.100 41.483 49.380 106 H GLU 14 H GLU 14 50.647 44.141 46.871 107 HA GLU 14 HA GLU 14 51.259 46.172 48.948 108 HB2 GLU 14 HB2 GLU 14 53.154 45.799 47.368 109 HB3 GLU 14 HB3 GLU 14 52.152 46.243 46.012 110 HG2 GLU 14 HG2 GLU 14 51.998 48.559 46.842 111 HG3 GLU 14 HG3 GLU 14 52.913 48.112 48.294 112 H ALA 15 H ALA 15 48.701 45.083 47.075 113 HA ALA 15 HA ALA 15 47.234 47.641 47.159 114 HB1 ALA 15 HB1 ALA 15 47.487 46.346 44.461 115 HB2 ALA 15 HB2 ALA 15 46.945 47.980 44.876 116 HB3 ALA 15 HB3 ALA 15 48.663 47.571 44.990 117 H ASP 16 H ASP 16 45.018 47.390 47.099 118 HA ASP 16 HA ASP 16 43.724 44.988 46.067 119 HB2 ASP 16 HB2 ASP 16 44.502 44.363 48.388 120 HB3 ASP 16 HB3 ASP 16 43.472 45.631 49.025 121 H ARG 17 H ARG 17 43.442 48.238 47.403 122 HA ARG 17 HA ARG 17 40.703 48.601 46.250 123 HB2 ARG 17 HB2 ARG 17 41.914 49.978 48.676 124 HB3 ARG 17 HB3 ARG 17 40.249 50.101 48.116 125 HG2 ARG 17 HG2 ARG 17 41.586 47.741 49.498 126 HG3 ARG 17 HG3 ARG 17 40.377 48.828 50.137 127 HD2 ARG 17 HD2 ARG 17 38.641 47.810 49.101 128 HD3 ARG 17 HD3 ARG 17 39.555 47.364 47.649 129 HE ARG 17 HE ARG 17 40.684 45.593 49.129 130 HH11 ARG 17 HH11 ARG 17 37.381 46.728 49.749 131 HH12 ARG 17 HH12 ARG 17 36.937 45.188 50.422 132 HH21 ARG 17 HH21 ARG 17 40.090 43.851 49.924 133 HH22 ARG 17 HH22 ARG 17 38.519 43.460 50.582 134 H THR 18 H THR 18 43.856 49.716 46.082 135 HA THR 18 HA THR 18 43.133 52.404 44.991 136 HB THR 18 HB THR 18 45.876 51.573 45.985 137 HG1 THR 18 HG1 THR 18 44.814 51.765 47.769 138 HG21 THR 18 HG21 THR 18 44.762 54.375 45.724 139 HG22 THR 18 HG22 THR 18 46.456 53.843 45.776 140 HG23 THR 18 HG23 THR 18 45.517 53.632 44.304 141 H LEU 19 H LEU 19 43.992 52.856 43.000 142 HA LEU 19 HA LEU 19 44.233 50.626 41.145 143 HB2 LEU 19 HB2 LEU 19 42.590 52.601 40.958 144 HB3 LEU 19 HB3 LEU 19 43.975 53.655 40.734 145 HG LEU 19 HG LEU 19 44.554 52.724 38.666 146 HD11 LEU 19 HD11 LEU 19 43.155 50.901 37.617 147 HD12 LEU 19 HD12 LEU 19 44.121 50.362 38.982 148 HD13 LEU 19 HD13 LEU 19 42.369 50.667 39.198 149 HD21 LEU 19 HD21 LEU 19 42.609 53.177 37.285 150 HD22 LEU 19 HD22 LEU 19 41.504 52.939 38.650 151 HD23 LEU 19 HD23 LEU 19 42.580 54.343 38.616 152 H PHE 20 H PHE 20 45.903 50.275 39.555 153 HA PHE 20 HA PHE 20 48.570 51.378 40.186 154 HB2 PHE 20 HB2 PHE 20 48.215 48.862 39.843 155 HB3 PHE 20 HB3 PHE 20 47.876 49.238 38.155 156 HD1 PHE 20 HD1 PHE 20 49.664 50.340 36.708 157 HD2 PHE 20 HD2 PHE 20 50.445 48.984 40.728 158 HE1 PHE 20 HE1 PHE 20 52.073 50.618 36.320 159 HE2 PHE 20 HE2 PHE 20 52.883 49.328 40.347 160 HZ PHE 20 HZ PHE 20 53.698 50.158 38.214 161 H VAL 21 H VAL 21 49.441 52.968 38.848 162 HA VAL 21 HA VAL 21 48.548 53.093 35.991 163 HB VAL 21 HB VAL 21 49.133 55.520 37.713 164 HG11 VAL 21 HG11 VAL 21 47.759 55.361 35.002 165 HG12 VAL 21 HG12 VAL 21 48.278 56.803 35.927 166 HG13 VAL 21 HG13 VAL 21 49.477 55.735 35.206 167 HG21 VAL 21 HG21 VAL 21 47.062 54.542 38.580 168 HG22 VAL 21 HG22 VAL 21 46.681 55.991 37.668 169 HG23 VAL 21 HG23 VAL 21 46.395 54.380 36.958 170 H GLY 22 H GLY 22 50.256 52.923 34.650 171 HA2 GLY 22 HA2 GLY 22 52.894 53.889 35.589 172 HA3 GLY 22 HA3 GLY 22 52.837 52.365 34.804 173 H ASN 23 H ASN 23 54.328 53.610 33.433 174 HA ASN 23 HA ASN 23 55.004 54.568 31.503 175 HB2 ASN 23 HB2 ASN 23 53.014 53.052 30.680 176 HB3 ASN 23 HB3 ASN 23 52.219 54.606 30.384 177 HD21 ASN 23 HD21 ASN 23 52.171 54.555 28.269 178 HD22 ASN 23 HD22 ASN 23 53.546 54.295 27.192 179 H LEU 24 H LEU 24 54.319 56.055 33.679 180 HA LEU 24 HA LEU 24 53.199 58.623 33.051 181 HB2 LEU 24 HB2 LEU 24 55.228 57.744 35.134 182 HB3 LEU 24 HB3 LEU 24 54.513 59.320 35.063 183 HG LEU 24 HG LEU 24 53.651 57.482 36.735 184 HD11 LEU 24 HD11 LEU 24 51.894 59.425 35.232 185 HD12 LEU 24 HD12 LEU 24 51.378 58.504 36.665 186 HD13 LEU 24 HD13 LEU 24 52.751 59.624 36.788 187 HD21 LEU 24 HD21 LEU 24 52.981 55.814 35.030 188 HD22 LEU 24 HD22 LEU 24 51.639 56.318 36.085 189 HD23 LEU 24 HD23 LEU 24 51.753 56.935 34.417 190 H GLU 25 H GLU 25 54.158 60.506 32.758 191 HA GLU 25 HA GLU 25 56.575 60.564 31.266 192 HB2 GLU 25 HB2 GLU 25 54.379 62.360 31.820 193 HB3 GLU 25 HB3 GLU 25 55.828 63.217 32.244 194 HG2 GLU 25 HG2 GLU 25 55.624 61.743 29.578 195 HG3 GLU 25 HG3 GLU 25 54.876 63.323 29.774 196 H THR 26 H THR 26 58.203 62.015 31.537 197 HA THR 26 HA THR 26 59.936 61.369 33.735 198 HB THR 26 HB THR 26 61.568 62.598 32.500 199 HG1 THR 26 HG1 THR 26 59.417 63.648 31.070 200 HG21 THR 26 HG21 THR 26 60.648 60.388 31.498 201 HG22 THR 26 HG22 THR 26 59.787 61.381 30.315 202 HG23 THR 26 HG23 THR 26 61.556 61.452 30.398 203 H LYS 27 H LYS 27 57.913 64.087 32.869 204 HA LYS 27 HA LYS 27 58.630 65.514 35.381 205 HB2 LYS 27 HB2 LYS 27 57.455 66.784 32.890 206 HB3 LYS 27 HB3 LYS 27 58.000 67.602 34.347 207 HG2 LYS 27 HG2 LYS 27 59.806 66.062 32.450 208 HG3 LYS 27 HG3 LYS 27 59.548 67.800 32.443 209 HD2 LYS 27 HD2 LYS 27 60.685 66.252 34.823 210 HD3 LYS 27 HD3 LYS 27 61.642 66.999 33.538 211 HE2 LYS 27 HE2 LYS 27 60.729 69.205 34.093 212 HE3 LYS 27 HE3 LYS 27 59.809 68.539 35.444 213 HZ1 LYS 27 HZ1 LYS 27 61.970 69.486 36.038 214 HZ2 LYS 27 HZ2 LYS 27 61.880 67.903 36.498 215 HZ3 LYS 27 HZ3 LYS 27 62.723 68.362 35.173 216 H VAL 28 H VAL 28 56.390 63.392 35.009 217 HA VAL 28 HA VAL 28 53.871 64.633 35.250 218 HB VAL 28 HB VAL 28 54.382 62.248 34.789 219 HG11 VAL 28 HG11 VAL 28 55.969 61.888 36.533 220 HG12 VAL 28 HG12 VAL 28 54.746 61.947 37.801 221 HG13 VAL 28 HG13 VAL 28 54.706 60.646 36.593 222 HG21 VAL 28 HG21 VAL 28 52.068 63.315 35.609 223 HG22 VAL 28 HG22 VAL 28 52.277 61.647 35.112 224 HG23 VAL 28 HG23 VAL 28 52.229 62.047 36.837 225 H THR 29 H THR 29 52.354 64.208 37.193 226 HA THR 29 HA THR 29 53.191 64.716 39.893 227 HB THR 29 HB THR 29 51.920 66.972 39.988 228 HG1 THR 29 HG1 THR 29 52.480 68.048 37.872 229 HG21 THR 29 HG21 THR 29 53.892 68.247 39.866 230 HG22 THR 29 HG22 THR 29 54.462 66.596 40.186 231 HG23 THR 29 HG23 THR 29 54.571 67.281 38.551 232 H GLU 30 H GLU 30 51.414 64.842 41.324 233 HA GLU 30 HA GLU 30 49.080 63.285 40.853 234 HB2 GLU 30 HB2 GLU 30 49.380 65.360 43.029 235 HB3 GLU 30 HB3 GLU 30 48.403 63.880 43.021 236 HG2 GLU 30 HG2 GLU 30 50.425 62.507 42.957 237 HG3 GLU 30 HG3 GLU 30 51.428 63.977 43.053 238 H GLU 31 H GLU 31 49.789 66.598 40.061 239 HA GLU 31 HA GLU 31 47.024 67.575 39.908 240 HB2 GLU 31 HB2 GLU 31 49.653 68.700 38.798 241 HB3 GLU 31 HB3 GLU 31 48.099 69.565 38.880 242 HG2 GLU 31 HG2 GLU 31 48.132 69.369 41.310 243 HG3 GLU 31 HG3 GLU 31 49.721 68.581 41.238 244 H LEU 32 H LEU 32 49.407 66.234 37.696 245 HA LEU 32 HA LEU 32 47.918 66.765 35.275 246 HB2 LEU 32 HB2 LEU 32 50.394 66.405 35.141 247 HB3 LEU 32 HB3 LEU 32 50.243 64.840 35.925 248 HG LEU 32 HG LEU 32 49.031 63.909 34.022 249 HD11 LEU 32 HD11 LEU 32 48.860 65.329 31.895 250 HD12 LEU 32 HD12 LEU 32 47.823 65.908 33.204 251 HD13 LEU 32 HD13 LEU 32 49.362 66.720 32.873 252 HD21 LEU 32 HD21 LEU 32 50.780 64.350 32.144 253 HD22 LEU 32 HD22 LEU 32 51.655 65.240 33.402 254 HD23 LEU 32 HD23 LEU 32 51.290 63.497 33.582 255 H LEU 33 H LEU 33 48.538 64.036 37.393 256 HA LEU 33 HA LEU 33 46.887 62.075 36.172 257 HB2 LEU 33 HB2 LEU 33 47.826 62.560 39.006 258 HB3 LEU 33 HB3 LEU 33 46.949 61.100 38.546 259 HG LEU 33 HG LEU 33 49.714 62.012 37.660 260 HD11 LEU 33 HD11 LEU 33 48.822 59.521 39.147 261 HD12 LEU 33 HD12 LEU 33 50.487 60.042 38.767 262 HD13 LEU 33 HD13 LEU 33 49.488 61.007 39.876 263 HD21 LEU 33 HD21 LEU 33 50.073 60.103 36.403 264 HD22 LEU 33 HD22 LEU 33 48.427 59.464 36.601 265 HD23 LEU 33 HD23 LEU 33 48.718 60.963 35.681 266 H PHE 34 H PHE 34 46.069 64.447 38.886 267 HA PHE 34 HA PHE 34 43.431 63.409 39.131 268 HB2 PHE 34 HB2 PHE 34 44.702 64.750 40.820 269 HB3 PHE 34 HB3 PHE 34 44.543 66.151 39.795 270 HD1 PHE 34 HD1 PHE 34 42.378 67.302 39.535 271 HD2 PHE 34 HD2 PHE 34 42.796 63.956 42.204 272 HE1 PHE 34 HE1 PHE 34 40.185 67.860 40.589 273 HE2 PHE 34 HE2 PHE 34 40.559 64.484 43.195 274 HZ PHE 34 HZ PHE 34 39.246 66.390 42.346 275 H GLU 35 H GLU 35 44.667 66.138 37.094 276 HA GLU 35 HA GLU 35 42.047 66.712 36.051 277 HB2 GLU 35 HB2 GLU 35 42.964 68.269 34.694 278 HB3 GLU 35 HB3 GLU 35 43.996 68.286 36.122 279 HG2 GLU 35 HG2 GLU 35 45.831 67.462 35.007 280 HG3 GLU 35 HG3 GLU 35 44.889 66.656 33.764 281 H LEU 36 H LEU 36 44.344 64.264 35.131 282 HA LEU 36 HA LEU 36 43.082 63.566 32.604 283 HB2 LEU 36 HB2 LEU 36 45.485 63.122 33.066 284 HB3 LEU 36 HB3 LEU 36 45.060 62.192 34.459 285 HG LEU 36 HG LEU 36 43.806 61.152 31.931 286 HD11 LEU 36 HD11 LEU 36 46.785 61.377 32.215 287 HD12 LEU 36 HD12 LEU 36 45.981 60.132 31.199 288 HD13 LEU 36 HD13 LEU 36 45.718 61.836 30.852 289 HD21 LEU 36 HD21 LEU 36 45.306 60.093 34.354 290 HD22 LEU 36 HD22 LEU 36 43.648 59.780 33.817 291 HD23 LEU 36 HD23 LEU 36 45.030 59.065 32.942 292 H PHE 37 H PHE 37 42.867 62.371 35.974 293 HA PHE 37 HA PHE 37 40.915 60.320 35.155 294 HB2 PHE 37 HB2 PHE 37 42.136 60.811 37.900 295 HB3 PHE 37 HB3 PHE 37 41.131 59.462 37.430 296 HD1 PHE 37 HD2 PHE 37 42.002 58.030 35.371 297 HD2 PHE 37 HD1 PHE 37 44.488 60.387 37.982 298 HE1 PHE 37 HE2 PHE 37 43.968 56.565 34.862 299 HE2 PHE 37 HE1 PHE 37 46.442 59.022 37.372 300 HZ PHE 37 HZ PHE 37 46.175 57.075 35.829 301 H HIS 38 H HIS 38 40.671 63.528 35.797 302 HA HIS 38 HA HIS 38 38.259 63.659 37.330 303 HB2 HIS 38 HB2 HIS 38 39.832 65.562 36.779 304 HB3 HIS 38 HB3 HIS 38 39.213 65.553 35.116 305 HD2 HIS 38 HD2 HIS 38 38.115 65.961 38.769 306 HE1 HIS 38 HE1 HIS 38 35.950 68.847 36.533 307 HE2 HIS 38 HE2 HIS 38 36.525 68.030 38.863 308 H GLN 39 H GLN 39 38.698 63.130 33.838 309 HA GLN 39 HA GLN 39 35.785 62.872 33.396 310 HB2 GLN 39 HB2 GLN 39 38.008 61.965 31.624 311 HB3 GLN 39 HB3 GLN 39 36.323 62.360 31.212 312 HG2 GLN 39 HG2 GLN 39 38.582 64.282 31.831 313 HG3 GLN 39 HG3 GLN 39 37.679 64.063 30.328 314 HE21 GLN 39 HE22 GLN 39 38.061 66.551 32.238 315 HE22 GLN 39 HE21 GLN 39 36.384 66.999 32.503 316 H ALA 40 H ALA 40 38.324 60.856 34.766 317 HA ALA 40 HA ALA 40 36.980 58.389 33.977 318 HB1 ALA 40 HB1 ALA 40 39.288 58.506 35.938 319 HB2 ALA 40 HB2 ALA 40 38.772 57.182 34.912 320 HB3 ALA 40 HB3 ALA 40 39.534 58.596 34.169 321 H GLY 41 H GLY 41 35.618 60.397 35.691 322 HA2 GLY 41 HA2 GLY 41 33.842 60.204 37.084 323 HA3 GLY 41 HA3 GLY 41 34.164 58.460 37.215 324 HA PRO 42 HA PRO 42 34.686 59.891 41.296 325 HB2 PRO 42 HB2 PRO 42 34.961 57.516 42.726 326 HB3 PRO 42 HB3 PRO 42 33.417 58.089 42.040 327 HG2 PRO 42 HG2 PRO 42 35.452 56.229 40.746 328 HG3 PRO 42 HG3 PRO 42 33.691 55.920 40.961 329 HD2 PRO 42 HD2 PRO 42 34.671 56.824 38.661 330 HD3 PRO 42 HD3 PRO 42 33.151 57.507 39.310 331 H VAL 43 H VAL 43 36.623 60.746 42.198 332 HA VAL 43 HA VAL 43 38.953 59.009 42.529 333 HB VAL 43 HB VAL 43 39.164 61.747 41.239 334 HG11 VAL 43 HG11 VAL 43 40.805 61.805 42.929 335 HG12 VAL 43 HG12 VAL 43 41.257 60.095 42.702 336 HG13 VAL 43 HG13 VAL 43 41.705 61.310 41.494 337 HG21 VAL 43 HG21 VAL 43 40.502 60.602 39.546 338 HG22 VAL 43 HG22 VAL 43 40.342 59.049 40.402 339 HG23 VAL 43 HG23 VAL 43 38.918 59.824 39.671 340 H ILE 44 H ILE 44 39.396 59.077 44.536 341 HA ILE 44 HA ILE 44 38.495 61.219 46.391 342 HB ILE 44 HB ILE 44 39.916 58.563 46.837 343 HG12 ILE 44 HG12 ILE 44 37.494 58.341 46.280 344 HG13 ILE 44 HG13 ILE 44 37.974 57.723 47.852 345 HG21 ILE 44 HG21 ILE 44 39.186 60.686 48.876 346 HG22 ILE 44 HG22 ILE 44 39.484 58.990 49.297 347 HG23 ILE 44 HG23 ILE 44 40.766 59.961 48.571 348 HD11 ILE 44 HD11 ILE 44 36.440 60.296 47.314 349 HD12 ILE 44 HD12 ILE 44 35.870 58.808 48.106 350 HD13 ILE 44 HD13 ILE 44 37.057 59.830 48.917 351 H LYS 45 H LYS 45 41.452 59.462 45.425 352 HA LYS 45 HA LYS 45 43.110 61.840 45.793 353 HB2 LYS 45 HB2 LYS 45 44.579 60.915 47.431 354 HB3 LYS 45 HB3 LYS 45 42.937 61.029 48.068 355 HG2 LYS 45 HG2 LYS 45 42.620 58.583 47.685 356 HG3 LYS 45 HG3 LYS 45 44.323 58.485 47.149 357 HD2 LYS 45 HD2 LYS 45 44.316 57.732 49.363 358 HD3 LYS 45 HD3 LYS 45 44.910 59.413 49.452 359 HE2 LYS 45 HE2 LYS 45 42.642 60.135 50.166 360 HE3 LYS 45 HE3 LYS 45 42.056 58.460 49.991 361 HZ1 LYS 45 HZ1 LYS 45 44.126 59.265 51.880 362 HZ2 LYS 45 HZ2 LYS 45 42.582 59.057 52.295 363 HZ3 LYS 45 HZ3 LYS 45 43.442 57.772 51.749 364 H VAL 46 H VAL 46 45.152 61.724 45.002 365 HA VAL 46 HA VAL 46 45.891 59.408 43.291 366 HB VAL 46 HB VAL 46 46.479 62.360 42.882 367 HG11 VAL 46 HG11 VAL 46 47.312 61.555 40.697 368 HG12 VAL 46 HG12 VAL 46 48.318 61.053 42.069 369 HG13 VAL 46 HG13 VAL 46 47.220 59.873 41.321 370 HG21 VAL 46 HG21 VAL 46 44.153 61.951 42.218 371 HG22 VAL 46 HG22 VAL 46 45.115 61.952 40.742 372 HG23 VAL 46 HG23 VAL 46 44.586 60.414 41.454 373 H LYS 47 H LYS 47 48.069 58.813 43.361 374 HA LYS 47 HA LYS 47 49.908 60.114 45.310 375 HB2 LYS 47 HB2 LYS 47 49.203 58.167 46.461 376 HB3 LYS 47 HB3 LYS 47 49.011 57.228 45.013 377 HG2 LYS 47 HG2 LYS 47 50.872 56.316 46.181 378 HG3 LYS 47 HG3 LYS 47 51.542 57.120 44.770 379 HD2 LYS 47 HD2 LYS 47 52.004 59.159 46.223 380 HD3 LYS 47 HD3 LYS 47 51.380 58.225 47.594 381 HE2 LYS 47 HE2 LYS 47 53.781 57.405 45.901 382 HE3 LYS 47 HE3 LYS 47 53.883 58.385 47.369 383 HZ1 LYS 47 HZ1 LYS 47 52.670 55.706 47.274 384 HZ2 LYS 47 HZ2 LYS 47 54.167 55.937 47.785 385 HZ3 LYS 47 HZ3 LYS 47 52.868 56.571 48.595 386 H ILE 48 H ILE 48 51.610 60.885 44.553 387 HA ILE 48 HA ILE 48 52.975 59.617 42.265 388 HB ILE 48 HB ILE 48 52.904 62.389 43.358 389 HG12 ILE 48 HG12 ILE 48 51.529 61.659 41.392 390 HG13 ILE 48 HG13 ILE 48 52.658 63.007 41.089 391 HG21 ILE 48 HG21 ILE 48 55.229 61.361 41.712 392 HG22 ILE 48 HG22 ILE 48 54.800 63.088 41.927 393 HG23 ILE 48 HG23 ILE 48 55.343 62.124 43.301 394 HD11 ILE 48 HD11 ILE 48 53.069 60.097 40.243 395 HD12 ILE 48 HD12 ILE 48 52.541 61.409 39.173 396 HD13 ILE 48 HD13 ILE 48 54.161 61.450 39.859 397 HA PRO 49 HA PRO 49 56.146 58.315 45.391 398 HB2 PRO 49 HB2 PRO 49 57.511 56.740 43.625 399 HB3 PRO 49 HB3 PRO 49 55.988 56.188 44.404 400 HG2 PRO 49 HG2 PRO 49 56.395 57.388 41.673 401 HG3 PRO 49 HG3 PRO 49 55.464 55.916 42.126 402 HD2 PRO 49 HD2 PRO 49 54.355 58.381 41.684 403 HD3 PRO 49 HD3 PRO 49 53.621 57.319 42.871 404 H LYS 50 H LYS 50 58.548 58.564 45.313 405 HA LYS 50 HA LYS 50 59.855 59.937 43.175 406 HB2 LYS 50 HB2 LYS 50 59.301 61.462 45.746 407 HB3 LYS 50 HB3 LYS 50 60.786 61.708 44.816 408 HG2 LYS 50 HG2 LYS 50 58.969 61.862 42.796 409 HG3 LYS 50 HG3 LYS 50 57.969 62.390 44.160 410 HD2 LYS 50 HD2 LYS 50 59.651 64.210 44.594 411 HD3 LYS 50 HD3 LYS 50 60.695 63.523 43.339 412 HE2 LYS 50 HE2 LYS 50 58.748 63.752 41.709 413 HE3 LYS 50 HE3 LYS 50 57.851 64.549 43.001 414 HZ1 LYS 50 HZ1 LYS 50 58.789 66.190 41.580 415 HZ2 LYS 50 HZ2 LYS 50 59.628 66.288 42.967 416 HZ3 LYS 50 HZ3 LYS 50 60.272 65.611 41.642 417 H ASP 51 H ASP 51 61.452 58.828 43.024 418 HA ASP 51 HA ASP 51 62.835 57.046 44.700 419 HB2 ASP 51 HB2 ASP 51 62.913 57.383 42.119 420 HB3 ASP 51 HB3 ASP 51 63.906 58.799 42.462 421 H LYS 52 H LYS 52 65.141 57.139 45.372 422 HA LYS 52 HA LYS 52 65.913 59.227 47.019 423 HB2 LYS 52 HB2 LYS 52 68.241 58.442 46.733 424 HB3 LYS 52 HB3 LYS 52 67.112 57.148 47.097 425 HG2 LYS 52 HG2 LYS 52 68.088 56.044 45.425 426 HG3 LYS 52 HG3 LYS 52 67.255 57.113 44.289 427 HD2 LYS 52 HD2 LYS 52 69.262 58.632 44.272 428 HD3 LYS 52 HD3 LYS 52 69.993 57.655 45.537 429 HE2 LYS 52 HE2 LYS 52 69.675 55.653 43.882 430 HE3 LYS 52 HE3 LYS 52 69.478 56.909 42.645 431 HZ1 LYS 52 HZ1 LYS 52 71.801 56.251 42.997 432 HZ2 LYS 52 HZ2 LYS 52 71.605 57.840 43.424 433 HZ3 LYS 52 HZ3 LYS 52 71.743 56.652 44.514 434 H ASP 53 H ASP 53 66.433 58.885 43.487 435 HA ASP 53 HA ASP 53 67.845 61.395 43.190 436 HB2 ASP 53 HB2 ASP 53 68.050 59.137 41.962 437 HB3 ASP 53 HB3 ASP 53 66.662 59.659 41.024 438 H GLY 54 H GLY 54 64.654 60.940 43.873 439 HA2 GLY 54 HA2 GLY 54 62.883 62.446 43.953 440 HA3 GLY 54 HA3 GLY 54 63.840 63.624 43.150 441 H LYS 55 H LYS 55 62.820 60.302 41.942 442 HA LYS 55 HA LYS 55 61.151 61.722 39.948 443 HB2 LYS 55 HB2 LYS 55 63.358 61.006 39.084 444 HB3 LYS 55 HB3 LYS 55 62.857 59.302 39.332 445 HG2 LYS 55 HG2 LYS 55 62.258 59.646 37.045 446 HG3 LYS 55 HG3 LYS 55 60.775 59.959 37.887 447 HD2 LYS 55 HD2 LYS 55 60.877 61.805 36.488 448 HD3 LYS 55 HD3 LYS 55 61.630 62.489 37.930 449 HE2 LYS 55 HE2 LYS 55 63.877 61.948 37.031 450 HE3 LYS 55 HE3 LYS 55 63.136 61.314 35.548 451 HZ1 LYS 55 HZ1 LYS 55 63.224 64.057 36.565 452 HZ2 LYS 55 HZ2 LYS 55 63.822 63.554 35.171 453 HZ3 LYS 55 HZ3 LYS 55 62.210 63.694 35.336 454 HA PRO 56 HA PRO 56 57.992 58.803 41.173 455 HB2 PRO 56 HB2 PRO 56 56.210 59.258 39.058 456 HB3 PRO 56 HB3 PRO 56 56.407 60.450 40.402 457 HG2 PRO 56 HG2 PRO 56 57.700 60.210 37.769 458 HG3 PRO 56 HG3 PRO 56 56.983 61.738 38.453 459 HD2 PRO 56 HD2 PRO 56 59.597 61.557 38.605 460 HD3 PRO 56 HD3 PRO 56 58.778 61.952 40.103 461 H LYS 57 H LYS 57 60.164 58.070 38.906 462 HA LYS 57 HA LYS 57 60.757 56.056 37.896 463 HB2 LYS 57 HB2 LYS 57 58.726 54.797 39.710 464 HB3 LYS 57 HB3 LYS 57 60.168 54.048 39.006 465 HG2 LYS 57 HG2 LYS 57 61.048 54.388 41.030 466 HG3 LYS 57 HG3 LYS 57 61.346 56.039 40.459 467 HD2 LYS 57 HD2 LYS 57 59.352 56.887 41.489 468 HD3 LYS 57 HD3 LYS 57 58.750 55.278 41.893 469 HE2 LYS 57 HE2 LYS 57 61.405 56.416 42.812 470 HE3 LYS 57 HE3 LYS 57 59.864 56.692 43.665 471 HZ1 LYS 57 HZ1 LYS 57 59.692 54.324 44.004 472 HZ2 LYS 57 HZ2 LYS 57 61.097 53.995 43.266 473 HZ3 LYS 57 HZ3 LYS 57 61.031 54.867 44.644 474 H GLN 58 H GLN 58 58.568 57.471 36.635 475 HA GLN 58 HA GLN 58 57.090 57.306 35.066 476 HB2 GLN 58 HB2 GLN 58 58.496 54.718 34.421 477 HB3 GLN 58 HB3 GLN 58 57.115 55.320 33.509 478 HG2 GLN 58 HG2 GLN 58 58.546 57.541 33.312 479 HG3 GLN 58 HG3 GLN 58 59.899 56.454 33.678 480 HE21 GLN 58 HE21 GLN 58 57.080 56.802 31.437 481 HE22 GLN 58 HE22 GLN 58 57.853 55.841 30.172 482 H PHE 59 H PHE 59 56.148 56.397 37.716 483 HA PHE 59 HA PHE 59 53.646 55.108 36.972 484 HB2 PHE 59 HB2 PHE 59 53.615 53.094 37.903 485 HB3 PHE 59 HB3 PHE 59 55.229 53.182 37.255 486 HD1 PHE 59 HD1 PHE 59 53.197 53.126 40.397 487 HD2 PHE 59 HD2 PHE 59 57.141 53.279 38.679 488 HE1 PHE 59 HE1 PHE 59 54.192 52.808 42.653 489 HE2 PHE 59 HE2 PHE 59 58.129 53.135 40.952 490 HZ PHE 59 HZ PHE 59 56.658 52.929 42.939 491 H ALA 60 H ALA 60 52.115 54.845 38.880 492 HA ALA 60 HA ALA 60 52.333 56.547 41.250 493 HB1 ALA 60 HB1 ALA 60 50.708 57.273 38.792 494 HB2 ALA 60 HB2 ALA 60 50.589 58.126 40.336 495 HB3 ALA 60 HB3 ALA 60 52.110 58.202 39.409 496 H PHE 61 H PHE 61 49.958 56.863 42.127 497 HA PHE 61 HA PHE 61 48.117 54.576 41.515 498 HB2 PHE 61 HB2 PHE 61 49.509 55.322 44.044 499 HB3 PHE 61 HB3 PHE 61 47.868 54.791 44.242 500 HD1 PHE 61 HD2 PHE 61 51.268 53.949 43.117 501 HD2 PHE 61 HD1 PHE 61 47.323 52.312 43.724 502 HE1 PHE 61 HE2 PHE 61 52.168 51.662 42.889 503 HE2 PHE 61 HE1 PHE 61 48.275 50.022 43.636 504 HZ PHE 61 HZ PHE 61 50.740 49.706 43.387 505 H VAL 62 H VAL 62 45.925 54.734 42.323 506 HA VAL 62 HA VAL 62 44.832 57.431 42.769 507 HB VAL 62 HB VAL 62 43.889 55.838 40.315 508 HG11 VAL 62 HG11 VAL 62 42.802 58.314 41.708 509 HG12 VAL 62 HG12 VAL 62 42.481 57.993 39.999 510 HG13 VAL 62 HG13 VAL 62 41.917 56.854 41.205 511 HG21 VAL 62 HG21 VAL 62 45.966 57.035 39.937 512 HG22 VAL 62 HG22 VAL 62 44.600 57.735 39.054 513 HG23 VAL 62 HG23 VAL 62 45.219 58.546 40.527 514 H ASN 63 H ASN 63 43.186 57.358 44.209 515 HA ASN 63 HA ASN 63 41.876 54.753 44.857 516 HB2 ASN 63 HB2 ASN 63 43.207 56.359 46.625 517 HB3 ASN 63 HB3 ASN 63 41.701 57.229 46.530 518 HD21 ASN 63 HD22 ASN 63 42.994 53.907 47.398 519 HD22 ASN 63 HD21 ASN 63 41.526 53.472 48.195 520 H PHE 64 H PHE 64 39.677 54.480 44.990 521 HA PHE 64 HA PHE 64 37.825 56.709 44.377 522 HB2 PHE 64 HB2 PHE 64 37.062 55.942 42.320 523 HB3 PHE 64 HB3 PHE 64 38.801 56.127 42.182 524 HD1 PHE 64 HD2 PHE 64 40.156 53.788 42.702 525 HD2 PHE 64 HD1 PHE 64 36.070 54.106 41.338 526 HE1 PHE 64 HE2 PHE 64 40.210 51.429 41.956 527 HE2 PHE 64 HE1 PHE 64 36.140 51.724 40.622 528 HZ PHE 64 HZ PHE 64 38.167 50.393 40.961 529 H LYS 65 H LYS 65 38.115 53.405 45.650 530 HA LYS 65 HA LYS 65 35.189 53.299 46.050 531 HB2 LYS 65 HB2 LYS 65 35.928 52.522 43.621 532 HB3 LYS 65 HB3 LYS 65 36.459 51.063 44.461 533 HG2 LYS 65 HG2 LYS 65 34.092 50.737 45.243 534 HG3 LYS 65 HG3 LYS 65 33.603 52.101 44.207 535 HD2 LYS 65 HD2 LYS 65 34.371 50.995 42.203 536 HD3 LYS 65 HD3 LYS 65 35.179 49.755 43.126 537 HE2 LYS 65 HE2 LYS 65 33.240 48.701 42.347 538 HE3 LYS 65 HE3 LYS 65 32.857 49.052 44.020 539 HZ1 LYS 65 HZ1 LYS 65 31.985 50.455 41.581 540 HZ2 LYS 65 HZ2 LYS 65 31.018 49.710 42.561 541 HZ3 LYS 65 HZ3 LYS 65 31.672 51.122 43.038 542 H HIS 66 H HIS 66 34.382 51.849 47.488 543 HA HIS 66 HA HIS 66 36.281 50.961 49.449 544 HB2 HIS 66 HB2 HIS 66 33.272 50.725 49.245 545 HB3 HIS 66 HB3 HIS 66 34.182 49.964 50.551 546 HD2 HIS 66 HD2 HIS 66 35.325 51.615 52.396 547 HE1 HIS 66 HE1 HIS 66 32.845 54.926 51.440 548 HE2 HIS 66 HE2 HIS 66 34.378 53.936 53.175 549 H GLU 67 H GLU 67 34.614 49.004 46.897 550 HA GLU 67 HA GLU 67 36.818 47.090 47.322 551 HB2 GLU 67 HB2 GLU 67 34.684 46.140 48.379 552 HB3 GLU 67 HB3 GLU 67 34.054 46.045 46.716 553 HG2 GLU 67 HG2 GLU 67 36.043 44.620 46.104 554 HG3 GLU 67 HG3 GLU 67 36.519 44.601 47.780 555 H VAL 68 H VAL 68 37.586 46.371 45.312 556 HA VAL 68 HA VAL 68 36.563 47.912 42.983 557 HB VAL 68 HB VAL 68 39.321 47.033 43.835 558 HG11 VAL 68 HG11 VAL 68 38.611 48.153 41.087 559 HG12 VAL 68 HG12 VAL 68 40.251 48.002 41.756 560 HG13 VAL 68 HG13 VAL 68 39.295 46.562 41.457 561 HG21 VAL 68 HG21 VAL 68 38.389 49.230 44.720 562 HG22 VAL 68 HG22 VAL 68 39.904 49.334 43.820 563 HG23 VAL 68 HG23 VAL 68 38.373 49.819 43.061 564 H SER 69 H SER 69 36.177 47.002 41.083 565 HA SER 69 HA SER 69 36.767 44.115 40.485 566 HB2 SER 69 HB2 SER 69 34.517 44.257 39.185 567 HB3 SER 69 HB3 SER 69 34.407 44.216 40.956 568 HG SER 69 HG SER 69 33.144 45.858 40.239 569 H VAL 70 H VAL 70 36.482 47.370 39.314 570 HA VAL 70 HA VAL 70 37.933 46.723 36.952 571 HB VAL 70 HB VAL 70 35.876 46.087 35.955 572 HG11 VAL 70 HG11 VAL 70 34.163 46.744 37.484 573 HG12 VAL 70 HG12 VAL 70 34.544 48.468 37.280 574 HG13 VAL 70 HG13 VAL 70 33.784 47.521 35.977 575 HG21 VAL 70 HG21 VAL 70 36.086 49.003 35.061 576 HG22 VAL 70 HG22 VAL 70 37.034 47.650 34.402 577 HG23 VAL 70 HG23 VAL 70 35.298 47.696 34.200 578 HA PRO 71 HA PRO 71 38.613 51.138 37.472 579 HB2 PRO 71 HB2 PRO 71 40.858 51.251 35.901 580 HB3 PRO 71 HB3 PRO 71 40.754 50.518 37.537 581 HG2 PRO 71 HG2 PRO 71 41.202 49.066 34.972 582 HG3 PRO 71 HG3 PRO 71 41.260 48.491 36.666 583 HD2 PRO 71 HD2 PRO 71 39.034 48.543 34.686 584 HD3 PRO 71 HD3 PRO 71 39.396 47.379 35.965 585 H TYR 72 H TYR 72 37.275 52.628 36.558 586 HA TYR 72 HA TYR 72 36.196 52.766 34.036 587 HB2 TYR 72 HB2 TYR 72 35.982 54.215 36.311 588 HB3 TYR 72 HB3 TYR 72 37.121 55.262 35.527 589 HD1 TYR 72 HD1 TYR 72 36.567 56.388 33.387 590 HD2 TYR 72 HD2 TYR 72 33.736 53.914 35.475 591 HE1 TYR 72 HE1 TYR 72 34.687 57.705 32.379 592 HE2 TYR 72 HE2 TYR 72 31.853 55.176 34.423 593 HH TYR 72 HH TYR 72 32.331 57.863 32.341 594 H ALA 73 H ALA 73 39.321 54.073 35.025 595 HA ALA 73 HA ALA 73 39.688 55.660 32.669 596 HB1 ALA 73 HB1 ALA 73 41.621 54.660 34.828 597 HB2 ALA 73 HB2 ALA 73 42.088 55.738 33.532 598 HB3 ALA 73 HB3 ALA 73 40.863 56.283 34.721 599 H MET 74 H MET 74 40.139 52.254 33.359 600 HA MET 74 HA MET 74 42.221 51.988 31.411 601 HB2 MET 74 HB2 MET 74 41.684 50.558 33.486 602 HB3 MET 74 HB3 MET 74 40.555 49.670 32.450 603 HG2 MET 74 HG2 MET 74 42.729 49.751 30.807 604 HG3 MET 74 HG3 MET 74 43.535 49.998 32.353 605 HE1 MET 74 HE1 MET 74 40.977 46.276 31.371 606 HE2 MET 74 HE2 MET 74 40.554 47.964 31.008 607 HE3 MET 74 HE3 MET 74 41.757 47.118 30.016 608 H ASN 75 H ASN 75 38.768 52.069 31.260 609 HA ASN 75 HA ASN 75 38.690 51.269 28.394 610 HB2 ASN 75 HB2 ASN 75 36.936 50.518 29.841 611 HB3 ASN 75 HB3 ASN 75 36.604 52.172 30.412 612 HD21 ASN 75 HD22 ASN 75 35.081 53.352 29.371 613 HD22 ASN 75 HD21 ASN 75 34.550 52.994 27.744 614 H LEU 76 H LEU 76 38.671 54.144 30.464 615 HA LEU 76 HA LEU 76 37.911 55.882 28.338 616 HB2 LEU 76 HB2 LEU 76 37.547 56.158 30.898 617 HB3 LEU 76 HB3 LEU 76 39.226 56.731 30.897 618 HG LEU 76 HG LEU 76 38.474 58.347 29.002 619 HD11 LEU 76 HD11 LEU 76 36.298 57.870 28.387 620 HD12 LEU 76 HD12 LEU 76 35.762 57.527 30.061 621 HD13 LEU 76 HD13 LEU 76 36.077 59.185 29.539 622 HD21 LEU 76 HD21 LEU 76 37.914 60.019 30.538 623 HD22 LEU 76 HD22 LEU 76 37.407 58.856 31.796 624 HD23 LEU 76 HD23 LEU 76 39.124 58.983 31.325 625 H LEU 77 H LEU 77 41.143 55.513 29.975 626 HA LEU 77 HA LEU 77 42.265 57.458 28.029 627 HB2 LEU 77 HB2 LEU 77 43.537 56.531 30.639 628 HB3 LEU 77 HB3 LEU 77 44.113 57.737 29.517 629 HG LEU 77 HG LEU 77 43.320 59.120 31.091 630 HD11 LEU 77 HD11 LEU 77 41.190 60.102 30.547 631 HD12 LEU 77 HD12 LEU 77 41.975 59.613 29.036 632 HD13 LEU 77 HD13 LEU 77 40.655 58.638 29.693 633 HD21 LEU 77 HD21 LEU 77 41.111 57.246 31.890 634 HD22 LEU 77 HD22 LEU 77 42.704 57.537 32.678 635 HD23 LEU 77 HD23 LEU 77 41.518 58.821 32.621 636 H ASN 78 H ASN 78 44.198 55.023 29.658 637 HA ASN 78 HA ASN 78 45.845 53.632 28.756 638 HB2 ASN 78 HB2 ASN 78 44.107 52.237 29.250 639 HB3 ASN 78 HB3 ASN 78 43.051 52.833 27.991 640 HD21 ASN 78 HD22 ASN 78 46.245 51.285 28.340 641 HD22 ASN 78 HD21 ASN 78 46.034 50.128 27.042 642 H GLY 79 H GLY 79 46.839 55.536 27.507 643 HA2 GLY 79 HA2 GLY 79 48.270 55.107 25.434 644 HA3 GLY 79 HA3 GLY 79 46.782 54.982 24.535 645 H ILE 80 H ILE 80 46.821 57.467 26.982 646 HA ILE 80 HA ILE 80 46.783 59.540 24.819 647 HB ILE 80 HB ILE 80 44.905 60.548 25.761 648 HG12 ILE 80 HG12 ILE 80 43.845 58.938 27.773 649 HG13 ILE 80 HG13 ILE 80 45.586 59.084 28.177 650 HG21 ILE 80 HG21 ILE 80 44.500 57.524 25.658 651 HG22 ILE 80 HG22 ILE 80 43.218 58.728 25.479 652 HG23 ILE 80 HG23 ILE 80 44.521 58.637 24.271 653 HD11 ILE 80 HD11 ILE 80 43.652 61.337 27.509 654 HD12 ILE 80 HD12 ILE 80 44.165 60.880 29.149 655 HD13 ILE 80 HD13 ILE 80 45.355 61.541 27.976 656 H LYS 81 H LYS 81 47.442 61.643 25.326 657 HA LYS 81 HA LYS 81 48.424 62.336 27.919 658 HB2 LYS 81 HB2 LYS 81 50.920 62.570 26.985 659 HB3 LYS 81 HB3 LYS 81 50.348 61.096 27.704 660 HG2 LYS 81 HG2 LYS 81 51.560 60.552 25.656 661 HG3 LYS 81 HG3 LYS 81 49.858 60.169 25.431 662 HD2 LYS 81 HD2 LYS 81 49.548 62.220 24.095 663 HD3 LYS 81 HD3 LYS 81 51.228 62.698 24.465 664 HE2 LYS 81 HE2 LYS 81 51.953 60.490 23.384 665 HE3 LYS 81 HE3 LYS 81 50.260 60.153 23.060 666 HZ1 LYS 81 HZ1 LYS 81 51.913 62.256 21.857 667 HZ2 LYS 81 HZ2 LYS 81 51.096 61.059 21.132 668 HZ3 LYS 81 HZ3 LYS 81 50.266 62.304 21.781 669 H LEU 82 H LEU 82 49.824 64.178 27.929 670 HA LEU 82 HA LEU 82 49.266 66.253 25.835 671 HB2 LEU 82 HB2 LEU 82 49.001 66.541 28.846 672 HB3 LEU 82 HB3 LEU 82 48.900 67.862 27.682 673 HG LEU 82 HG LEU 82 46.988 65.493 27.830 674 HD11 LEU 82 HD11 LEU 82 46.867 66.965 29.791 675 HD12 LEU 82 HD12 LEU 82 46.689 68.387 28.732 676 HD13 LEU 82 HD13 LEU 82 45.420 67.138 28.777 677 HD21 LEU 82 HD21 LEU 82 46.991 66.347 25.558 678 HD22 LEU 82 HD22 LEU 82 45.522 66.878 26.371 679 HD23 LEU 82 HD23 LEU 82 46.850 68.028 26.133 680 H TYR 83 H TYR 83 51.553 64.799 28.054 681 HA TYR 83 HA TYR 83 53.561 66.942 27.524 682 HB2 TYR 83 HB2 TYR 83 53.423 64.608 29.432 683 HB3 TYR 83 HB3 TYR 83 54.878 65.598 29.187 684 HD1 TYR 83 HD1 TYR 83 51.656 67.424 29.308 685 HD2 TYR 83 HD2 TYR 83 54.903 65.719 31.605 686 HE1 TYR 83 HE1 TYR 83 50.985 68.758 31.268 687 HE2 TYR 83 HE2 TYR 83 54.037 66.848 33.649 688 HH TYR 83 HH TYR 83 51.434 69.215 33.384 689 H GLY 84 H GLY 84 53.192 63.349 27.249 690 HA2 GLY 84 HA2 GLY 84 54.067 63.202 24.607 691 HA3 GLY 84 HA3 GLY 84 55.545 63.098 25.547 692 H ARG 85 H ARG 85 54.541 61.563 27.748 693 HA ARG 85 HA ARG 85 54.524 58.849 26.496 694 HB2 ARG 85 HB2 ARG 85 55.204 59.653 29.321 695 HB3 ARG 85 HB3 ARG 85 55.056 58.023 28.702 696 HG2 ARG 85 HG2 ARG 85 57.323 58.280 28.417 697 HG3 ARG 85 HG3 ARG 85 56.726 58.750 26.823 698 HD2 ARG 85 HD2 ARG 85 56.936 61.138 27.504 699 HD3 ARG 85 HD3 ARG 85 57.641 60.566 29.052 700 HE ARG 85 HE ARG 85 59.169 59.409 26.958 701 HH11 ARG 85 HH11 ARG 85 58.590 62.769 27.905 702 HH12 ARG 85 HH12 ARG 85 60.262 63.190 27.601 703 HH21 ARG 85 HH21 ARG 85 61.004 60.333 25.990 704 HH22 ARG 85 HH22 ARG 85 61.477 61.906 26.545 705 HA PRO 86 HA PRO 86 50.085 58.959 27.198 706 HB2 PRO 86 HB2 PRO 86 49.558 56.477 26.238 707 HB3 PRO 86 HB3 PRO 86 49.835 57.900 25.157 708 HG2 PRO 86 HG2 PRO 86 51.813 55.785 26.069 709 HG3 PRO 86 HG3 PRO 86 51.521 56.346 24.386 710 HD2 PRO 86 HD2 PRO 86 53.550 57.219 25.877 711 HD3 PRO 86 HD3 PRO 86 52.670 58.454 24.950 712 H ILE 87 H ILE 87 48.993 58.526 28.941 713 HA ILE 87 HA ILE 87 50.016 56.835 30.990 714 HB ILE 87 HB ILE 87 47.592 58.520 30.607 715 HG12 ILE 87 HG12 ILE 87 49.624 59.396 31.586 716 HG13 ILE 87 HG13 ILE 87 48.215 59.534 32.629 717 HG21 ILE 87 HG21 ILE 87 47.489 56.085 32.382 718 HG22 ILE 87 HG22 ILE 87 46.697 57.589 32.877 719 HG23 ILE 87 HG23 ILE 87 46.296 56.809 31.317 720 HD11 ILE 87 HD11 ILE 87 50.531 58.844 33.618 721 HD12 ILE 87 HD12 ILE 87 49.046 58.079 34.216 722 HD13 ILE 87 HD13 ILE 87 50.101 57.218 33.063 723 H LYS 88 H LYS 88 49.983 54.846 31.327 724 HA LYS 88 HA LYS 88 48.073 52.945 30.075 725 HB2 LYS 88 HB2 LYS 88 50.434 52.609 29.517 726 HB3 LYS 88 HB3 LYS 88 50.858 52.625 31.245 727 HG2 LYS 88 HG2 LYS 88 50.919 50.406 30.319 728 HG3 LYS 88 HG3 LYS 88 49.739 50.521 31.616 729 HD2 LYS 88 HD2 LYS 88 47.910 50.712 29.858 730 HD3 LYS 88 HD3 LYS 88 49.182 50.606 28.615 731 HE2 LYS 88 HE2 LYS 88 49.890 48.423 29.547 732 HE3 LYS 88 HE3 LYS 88 48.540 48.488 30.720 733 HZ1 LYS 88 HZ1 LYS 88 47.043 48.063 29.083 734 HZ2 LYS 88 HZ2 LYS 88 48.028 48.515 27.837 735 HZ3 LYS 88 HZ3 LYS 88 48.316 47.156 28.632 736 H ILE 89 H ILE 89 46.528 52.256 31.404 737 HA ILE 89 HA ILE 89 46.933 52.376 34.358 738 HB ILE 89 HB ILE 89 44.381 52.076 32.750 739 HG12 ILE 89 HG12 ILE 89 43.994 54.229 34.361 740 HG13 ILE 89 HG13 ILE 89 45.740 54.315 34.294 741 HG21 ILE 89 HG21 ILE 89 44.811 52.206 35.753 742 HG22 ILE 89 HG22 ILE 89 43.240 52.096 34.913 743 HG23 ILE 89 HG23 ILE 89 44.351 50.730 34.877 744 HD11 ILE 89 HD11 ILE 89 43.892 54.271 31.868 745 HD12 ILE 89 HD12 ILE 89 44.572 55.730 32.610 746 HD13 ILE 89 HD13 ILE 89 45.657 54.540 31.851 747 H GLN 90 H GLN 90 46.857 50.558 35.655 748 HA GLN 90 HA GLN 90 46.499 47.929 34.368 749 HB2 GLN 90 HB2 GLN 90 48.817 48.446 36.250 750 HB3 GLN 90 HB3 GLN 90 48.400 46.952 35.445 751 HG2 GLN 90 HG2 GLN 90 48.911 48.000 33.206 752 HG3 GLN 90 HG3 GLN 90 49.373 49.470 34.010 753 HE21 GLN 90 HE22 GLN 90 51.292 47.963 32.361 754 HE22 GLN 90 HE21 GLN 90 52.436 47.238 33.452 755 H PHE 91 H PHE 91 46.437 46.291 36.184 756 HA PHE 91 HA PHE 91 45.357 45.297 37.827 757 HB2 PHE 91 HB2 PHE 91 46.260 46.851 39.421 758 HB3 PHE 91 HB3 PHE 91 45.043 48.050 39.069 759 HD1 PHE 91 HD2 PHE 91 45.084 44.446 40.309 760 HD2 PHE 91 HD1 PHE 91 43.562 48.465 40.764 761 HE1 PHE 91 HE2 PHE 91 43.729 43.741 42.267 762 HE2 PHE 91 HE1 PHE 91 42.217 47.730 42.700 763 HZ PHE 91 HZ PHE 91 42.261 45.344 43.417 764 H ARG 92 H ARG 92 43.265 44.650 38.454 765 HA ARG 92 HA ARG 92 40.890 45.987 37.355 766 HB2 ARG 92 HB2 ARG 92 41.604 44.509 35.464 767 HB3 ARG 92 HB3 ARG 92 41.756 43.152 36.551 768 HG2 ARG 92 HG2 ARG 92 39.120 43.512 36.880 769 HG3 ARG 92 HG3 ARG 92 39.304 44.472 35.406 770 HD2 ARG 92 HD2 ARG 92 38.625 42.237 34.856 771 HD3 ARG 92 HD3 ARG 92 40.205 42.604 34.178 772 HE ARG 92 HE ARG 92 39.687 40.794 36.553 773 HH11 ARG 92 HH11 ARG 92 41.708 41.536 33.694 774 HH12 ARG 92 HH12 ARG 92 42.416 39.936 33.784 775 HH21 ARG 92 HH21 ARG 92 40.715 38.956 36.545 776 HH22 ARG 92 HH22 ARG 92 41.795 38.533 35.211 777 H SER 93 H SER 93 41.680 42.775 38.714 778 HA SER 93 HA SER 93 40.192 43.323 41.232 779 HB2 SER 93 HB2 SER 93 38.506 42.777 39.586 780 HB3 SER 93 HB3 SER 93 39.386 41.339 39.109 781 HG SER 93 HG SER 93 38.424 40.373 40.703 782 H GLY 94 H GLY 94 40.585 41.508 42.814 783 HA2 GLY 94 HA2 GLY 94 43.043 39.961 42.500 784 HA3 GLY 94 HA3 GLY 94 41.901 39.898 43.833 785 H SER 95 H SER 95 42.983 37.487 42.658 786 HA SER 95 HA SER 95 40.554 36.243 41.397 787 HB2 SER 95 HB2 SER 95 43.422 35.863 40.545 788 HB3 SER 95 HB3 SER 95 41.998 35.117 39.815 789 HG SER 95 HG SER 95 42.647 36.971 38.767 790 H SER 96 H SER 96 40.500 33.928 41.331 791 HA SER 96 HA SER 96 41.542 32.214 43.375 792 HB2 SER 96 HB2 SER 96 40.581 30.452 41.914 793 HB3 SER 96 HB3 SER 96 39.497 31.847 41.952 794 HG SER 96 HG SER 96 39.895 31.231 39.847 795 H HIS 97 H HIS 97 42.869 30.285 43.027 796 HA HIS 97 HA HIS 97 44.850 30.364 40.893 797 HB2 HIS 97 HB2 HIS 97 45.693 31.784 42.860 798 HB3 HIS 97 HB3 HIS 97 45.787 30.278 43.770 799 HD2 HIS 97 HD2 HIS 97 46.908 31.602 40.235 800 HE1 HIS 97 HE1 HIS 97 50.072 29.173 41.641 801 HE2 HIS 97 HE2 HIS 97 49.246 30.618 39.735 802 H ALA 98 H ALA 98 45.302 28.548 40.265 803 HA ALA 98 HA ALA 98 45.593 26.444 39.841 804 HB1 ALA 98 HB1 ALA 98 46.337 26.342 42.775 805 HB2 ALA 98 HB2 ALA 98 46.800 25.119 41.569 806 HB3 ALA 98 HB3 ALA 98 47.373 26.781 41.402 807 HA PRO 99 HA PRO 99 42.082 24.150 40.127 808 HB2 PRO 99 HB2 PRO 99 42.691 21.716 39.110 809 HB3 PRO 99 HB3 PRO 99 42.945 23.243 38.194 810 HG2 PRO 99 HG2 PRO 99 45.016 21.772 39.811 811 HG3 PRO 99 HG3 PRO 99 45.083 22.291 38.077 812 HD2 PRO 99 HD2 PRO 99 46.132 23.901 39.965 813 HD3 PRO 99 HD3 PRO 99 45.108 24.573 38.635 814 H GLN 100 H GLN 100 41.001 21.991 40.922 815 HA GLN 100 HA GLN 100 41.158 22.046 43.738 816 HB2 GLN 100 HB2 GLN 100 39.183 21.639 42.134 817 HB3 GLN 100 HB3 GLN 100 39.762 19.980 42.006 818 HG2 GLN 100 HG2 GLN 100 39.573 19.859 44.546 819 HG3 GLN 100 HG3 GLN 100 38.852 21.470 44.503 820 HE21 GLN 100 HE22 GLN 100 37.216 19.616 45.666 821 HE22 GLN 100 HE21 GLN 100 36.046 18.979 44.501 822 H ASP 101 H ASP 101 42.483 19.718 41.436 823 HA ASP 101 HA ASP 101 43.852 18.171 43.593 824 HB2 ASP 101 HB2 ASP 101 41.691 16.997 42.924 825 HB3 ASP 101 HB3 ASP 101 42.403 16.786 41.336 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 35.321 9.794 45.680 2 H2 GLY 1 H2 GLY 1 36.073 8.872 44.619 3 H3 GLY 1 H3 GLY 1 35.471 10.373 44.158 4 HA2 GLY 1 HA2 GLY 1 37.462 10.022 46.257 5 HA3 GLY 1 HA3 GLY 1 37.976 10.329 44.576 6 H SER 2 H SER 2 37.879 11.839 47.245 7 HA SER 2 HA SER 2 36.379 14.236 46.654 8 HB2 SER 2 HB2 SER 2 37.300 14.981 48.800 9 HB3 SER 2 HB3 SER 2 36.644 13.338 48.945 10 HG SER 2 HG SER 2 38.802 13.744 49.799 11 H GLU 3 H GLU 3 37.440 16.304 47.252 12 HA GLU 3 HA GLU 3 39.404 17.248 45.438 13 HB2 GLU 3 HB2 GLU 3 38.230 18.536 47.960 14 HB3 GLU 3 HB3 GLU 3 38.968 19.371 46.604 15 HG2 GLU 3 HG2 GLU 3 36.840 19.657 45.932 16 HG3 GLU 3 HG3 GLU 3 36.942 18.011 45.332 17 H PHE 4 H PHE 4 41.578 17.237 45.678 18 HA PHE 4 HA PHE 4 42.895 16.442 48.227 19 HB2 PHE 4 HB2 PHE 4 43.162 15.103 46.231 20 HB3 PHE 4 HB3 PHE 4 43.889 16.437 45.355 21 HD1 PHE 4 HD1 PHE 4 46.221 17.263 45.998 22 HD2 PHE 4 HD2 PHE 4 44.410 13.795 47.831 23 HE1 PHE 4 HE1 PHE 4 48.422 16.570 46.906 24 HE2 PHE 4 HE2 PHE 4 46.626 13.130 48.721 25 HZ PHE 4 HZ PHE 4 48.587 14.634 48.418 26 H GLU 5 H GLU 5 42.639 19.194 46.111 27 HA GLU 5 HA GLU 5 45.197 20.337 47.062 28 HB2 GLU 5 HB2 GLU 5 43.630 20.549 44.452 29 HB3 GLU 5 HB3 GLU 5 44.912 21.689 44.837 30 HG2 GLU 5 HG2 GLU 5 46.472 19.865 45.280 31 HG3 GLU 5 HG3 GLU 5 45.233 18.665 44.859 32 H LEU 6 H LEU 6 41.970 20.999 47.659 33 HA LEU 6 HA LEU 6 42.008 23.845 47.603 34 HB2 LEU 6 HB2 LEU 6 40.485 21.922 49.398 35 HB3 LEU 6 HB3 LEU 6 40.073 23.630 49.149 36 HG LEU 6 HG LEU 6 39.945 21.371 47.094 37 HD11 LEU 6 HD11 LEU 6 37.692 22.893 48.442 38 HD12 LEU 6 HD12 LEU 6 37.543 21.631 47.198 39 HD13 LEU 6 HD13 LEU 6 38.186 21.227 48.810 40 HD21 LEU 6 HD21 LEU 6 40.368 23.688 46.093 41 HD22 LEU 6 HD22 LEU 6 38.827 22.969 45.605 42 HD23 LEU 6 HD23 LEU 6 38.851 24.205 46.879 43 H ARG 7 H ARG 7 42.647 25.399 48.978 44 HA ARG 7 HA ARG 7 44.605 25.142 50.971 45 HB2 ARG 7 HB2 ARG 7 42.602 27.347 50.526 46 HB3 ARG 7 HB3 ARG 7 44.011 27.420 51.582 47 HG2 ARG 7 HG2 ARG 7 44.782 28.467 49.758 48 HG3 ARG 7 HG3 ARG 7 45.472 26.881 49.543 49 HD2 ARG 7 HD2 ARG 7 42.819 27.571 48.240 50 HD3 ARG 7 HD3 ARG 7 44.333 28.280 47.600 51 HE ARG 7 HE ARG 7 44.837 25.553 47.694 52 HH11 ARG 7 HH11 ARG 7 42.239 27.320 46.123 53 HH12 ARG 7 HH12 ARG 7 42.386 26.411 44.671 54 HH21 ARG 7 HH21 ARG 7 45.128 24.619 45.648 55 HH22 ARG 7 HH22 ARG 7 44.065 25.037 44.365 56 H ARG 8 H ARG 8 44.444 25.654 53.245 57 HA ARG 8 HA ARG 8 42.320 24.251 54.722 58 HB2 ARG 8 HB2 ARG 8 44.818 25.580 55.841 59 HB3 ARG 8 HB3 ARG 8 43.700 24.504 56.663 60 HG2 ARG 8 HG2 ARG 8 44.359 22.599 55.432 61 HG3 ARG 8 HG3 ARG 8 45.337 23.506 54.294 62 HD2 ARG 8 HD2 ARG 8 45.864 23.270 57.294 63 HD3 ARG 8 HD3 ARG 8 46.648 22.288 56.083 64 HE ARG 8 HE ARG 8 47.598 24.464 55.105 65 HH11 ARG 8 HH11 ARG 8 46.602 24.463 58.412 66 HH12 ARG 8 HH12 ARG 8 48.110 25.148 58.987 67 HH21 ARG 8 HH21 ARG 8 49.526 25.328 55.834 68 HH22 ARG 8 HH22 ARG 8 49.843 25.461 57.532 69 H GLN 9 H GLN 9 43.623 27.603 54.451 70 HA GLN 9 HA GLN 9 41.391 28.933 55.787 71 HB2 GLN 9 HB2 GLN 9 42.977 30.024 53.447 72 HB3 GLN 9 HB3 GLN 9 41.928 30.897 54.556 73 HG2 GLN 9 HG2 GLN 9 43.419 30.540 56.421 74 HG3 GLN 9 HG3 GLN 9 44.411 29.417 55.469 75 HE21 GLN 9 HE22 GLN 9 45.086 32.064 56.860 76 HE22 GLN 9 HE21 GLN 9 45.873 32.996 55.601 77 H GLN 10 H GLN 10 39.387 29.495 54.884 78 HA GLN 10 HA GLN 10 38.485 27.808 52.689 79 HB2 GLN 10 HB2 GLN 10 36.259 28.747 53.328 80 HB3 GLN 10 HB3 GLN 10 37.162 28.181 54.751 81 HG2 GLN 10 HG2 GLN 10 37.868 30.548 55.209 82 HG3 GLN 10 HG3 GLN 10 36.866 31.070 53.854 83 HE21 GLN 10 HE22 GLN 10 35.466 32.327 55.099 84 HE22 GLN 10 HE21 GLN 10 34.428 31.665 56.330 85 H ALA 11 H ALA 11 39.844 30.868 52.692 86 HA ALA 11 HA ALA 11 38.946 31.588 50.010 87 HB1 ALA 11 HB1 ALA 11 37.891 33.724 50.895 88 HB2 ALA 11 HB2 ALA 11 36.979 32.242 51.269 89 HB3 ALA 11 HB3 ALA 11 37.959 32.996 52.528 90 H LEU 12 H LEU 12 39.802 33.710 49.363 91 HA LEU 12 HA LEU 12 42.484 34.234 50.498 92 HB2 LEU 12 HB2 LEU 12 43.102 35.055 48.401 93 HB3 LEU 12 HB3 LEU 12 42.186 33.609 48.123 94 HG LEU 12 HG LEU 12 40.157 35.382 47.779 95 HD11 LEU 12 HD11 LEU 12 41.157 37.515 48.126 96 HD12 LEU 12 HD12 LEU 12 42.715 36.980 47.434 97 HD13 LEU 12 HD13 LEU 12 41.332 37.331 46.390 98 HD21 LEU 12 HD21 LEU 12 41.004 33.778 46.102 99 HD22 LEU 12 HD22 LEU 12 40.640 35.339 45.366 100 HD23 LEU 12 HD23 LEU 12 42.326 34.910 45.696 101 H ALA 13 H ALA 13 42.919 36.098 51.530 102 HA ALA 13 HA ALA 13 40.726 38.028 51.934 103 HB1 ALA 13 HB1 ALA 13 43.249 37.425 53.491 104 HB2 ALA 13 HB2 ALA 13 41.891 38.447 54.040 105 HB3 ALA 13 HB3 ALA 13 41.650 36.704 53.769 106 H GLU 14 H GLU 14 43.025 38.122 49.710 107 HA GLU 14 HA GLU 14 44.586 40.442 50.146 108 HB2 GLU 14 HB2 GLU 14 44.964 38.620 48.438 109 HB3 GLU 14 HB3 GLU 14 43.622 39.264 47.506 110 HG2 GLU 14 HG2 GLU 14 45.587 40.022 46.491 111 HG3 GLU 14 HG3 GLU 14 44.846 41.412 47.244 112 H ALA 15 H ALA 15 44.146 42.585 50.066 113 HA ALA 15 HA ALA 15 41.511 43.531 49.008 114 HB1 ALA 15 HB1 ALA 15 41.790 43.376 51.584 115 HB2 ALA 15 HB2 ALA 15 42.849 44.800 51.386 116 HB3 ALA 15 HB3 ALA 15 41.166 44.870 50.875 117 H ASP 16 H ASP 16 41.572 45.598 48.039 118 HA ASP 16 HA ASP 16 43.941 47.268 48.403 119 HB2 ASP 16 HB2 ASP 16 43.986 45.779 46.141 120 HB3 ASP 16 HB3 ASP 16 42.962 47.093 45.585 121 H ARG 17 H ARG 17 43.483 49.517 47.701 122 HA ARG 17 HA ARG 17 40.610 50.248 47.313 123 HB2 ARG 17 HB2 ARG 17 41.879 50.861 49.631 124 HB3 ARG 17 HB3 ARG 17 42.642 52.084 48.646 125 HG2 ARG 17 HG2 ARG 17 40.704 52.893 49.924 126 HG3 ARG 17 HG3 ARG 17 40.588 53.197 48.196 127 HD2 ARG 17 HD2 ARG 17 38.474 52.585 49.106 128 HD3 ARG 17 HD3 ARG 17 38.963 51.365 47.939 129 HE ARG 17 HE ARG 17 39.805 50.172 50.243 130 HH11 ARG 17 HH11 ARG 17 36.789 51.634 49.301 131 HH12 ARG 17 HH12 ARG 17 35.975 51.235 50.829 132 HH21 ARG 17 HH21 ARG 17 38.535 49.632 52.229 133 HH22 ARG 17 HH22 ARG 17 36.802 49.741 52.024 134 H THR 18 H THR 18 43.354 49.966 45.707 135 HA THR 18 HA THR 18 43.375 52.675 44.502 136 HB THR 18 HB THR 18 45.977 51.242 44.773 137 HG1 THR 18 HG1 THR 18 45.269 50.675 46.717 138 HG21 THR 18 HG21 THR 18 45.905 53.639 44.218 139 HG22 THR 18 HG22 THR 18 44.978 53.952 45.724 140 HG23 THR 18 HG23 THR 18 46.656 53.385 45.810 141 H LEU 19 H LEU 19 43.671 52.972 42.403 142 HA LEU 19 HA LEU 19 43.843 50.771 40.481 143 HB2 LEU 19 HB2 LEU 19 42.402 52.838 40.234 144 HB3 LEU 19 HB3 LEU 19 43.896 53.773 40.075 145 HG LEU 19 HG LEU 19 44.505 52.553 38.037 146 HD11 LEU 19 HD11 LEU 19 42.685 51.063 36.963 147 HD12 LEU 19 HD12 LEU 19 43.510 50.348 38.336 148 HD13 LEU 19 HD13 LEU 19 41.890 51.050 38.546 149 HD21 LEU 19 HD21 LEU 19 42.698 53.464 36.597 150 HD22 LEU 19 HD22 LEU 19 41.669 53.638 38.040 151 HD23 LEU 19 HD23 LEU 19 43.159 54.585 37.890 152 H PHE 20 H PHE 20 45.671 50.128 39.501 153 HA PHE 20 HA PHE 20 48.246 51.402 40.225 154 HB2 PHE 20 HB2 PHE 20 48.083 48.880 40.257 155 HB3 PHE 20 HB3 PHE 20 47.855 48.919 38.516 156 HD1 PHE 20 HD2 PHE 20 50.142 49.699 41.324 157 HD2 PHE 20 HD1 PHE 20 49.862 49.484 37.025 158 HE1 PHE 20 HE2 PHE 20 52.617 49.907 41.132 159 HE2 PHE 20 HE1 PHE 20 52.308 49.632 36.859 160 HZ PHE 20 HZ PHE 20 53.689 49.922 38.913 161 H VAL 21 H VAL 21 49.511 52.514 38.738 162 HA VAL 21 HA VAL 21 48.627 52.709 35.926 163 HB VAL 21 HB VAL 21 49.016 55.141 37.730 164 HG11 VAL 21 HG11 VAL 21 47.960 55.002 34.867 165 HG12 VAL 21 HG12 VAL 21 47.940 56.424 35.899 166 HG13 VAL 21 HG13 VAL 21 49.498 55.740 35.427 167 HG21 VAL 21 HG21 VAL 21 46.907 54.174 38.411 168 HG22 VAL 21 HG22 VAL 21 46.597 55.617 37.457 169 HG23 VAL 21 HG23 VAL 21 46.366 54.021 36.725 170 H GLY 22 H GLY 22 50.296 52.651 34.594 171 HA2 GLY 22 HA2 GLY 22 52.992 53.567 35.495 172 HA3 GLY 22 HA3 GLY 22 52.832 52.151 34.534 173 H ASN 23 H ASN 23 54.340 53.560 33.336 174 HA ASN 23 HA ASN 23 55.034 54.605 31.489 175 HB2 ASN 23 HB2 ASN 23 52.931 53.200 30.636 176 HB3 ASN 23 HB3 ASN 23 52.268 54.804 30.360 177 HD21 ASN 23 HD21 ASN 23 52.318 54.819 28.182 178 HD22 ASN 23 HD22 ASN 23 53.775 54.678 27.184 179 H LEU 24 H LEU 24 54.212 56.021 33.794 180 HA LEU 24 HA LEU 24 53.115 58.574 33.183 181 HB2 LEU 24 HB2 LEU 24 55.094 57.758 35.353 182 HB3 LEU 24 HB3 LEU 24 54.291 59.295 35.166 183 HG LEU 24 HG LEU 24 53.526 57.378 36.896 184 HD11 LEU 24 HD11 LEU 24 51.684 59.161 35.291 185 HD12 LEU 24 HD12 LEU 24 51.154 58.310 36.774 186 HD13 LEU 24 HD13 LEU 24 52.425 59.520 36.876 187 HD21 LEU 24 HD21 LEU 24 53.064 55.705 35.144 188 HD22 LEU 24 HD22 LEU 24 51.679 55.990 36.193 189 HD23 LEU 24 HD23 LEU 24 51.690 56.710 34.577 190 H GLU 25 H GLU 25 53.917 60.329 32.462 191 HA GLU 25 HA GLU 25 56.425 60.382 31.249 192 HB2 GLU 25 HB2 GLU 25 54.168 62.176 31.631 193 HB3 GLU 25 HB3 GLU 25 55.614 63.136 31.852 194 HG2 GLU 25 HG2 GLU 25 55.317 61.242 29.500 195 HG3 GLU 25 HG3 GLU 25 54.467 62.785 29.494 196 H THR 26 H THR 26 58.114 62.108 31.505 197 HA THR 26 HA THR 26 59.605 61.277 33.773 198 HB THR 26 HB THR 26 61.411 62.535 32.678 199 HG1 THR 26 HG1 THR 26 59.463 63.569 30.929 200 HG21 THR 26 HG21 THR 26 59.649 61.418 30.425 201 HG22 THR 26 HG22 THR 26 61.419 61.530 30.510 202 HG23 THR 26 HG23 THR 26 60.518 60.400 31.553 203 H LYS 27 H LYS 27 57.534 63.790 33.381 204 HA LYS 27 HA LYS 27 58.553 65.515 35.602 205 HB2 LYS 27 HB2 LYS 27 58.528 66.245 33.011 206 HB3 LYS 27 HB3 LYS 27 56.828 66.503 33.328 207 HG2 LYS 27 HG2 LYS 27 57.843 68.595 33.674 208 HG3 LYS 27 HG3 LYS 27 57.593 68.008 35.311 209 HD2 LYS 27 HD2 LYS 27 59.775 69.026 35.048 210 HD3 LYS 27 HD3 LYS 27 59.948 67.338 35.509 211 HE2 LYS 27 HE2 LYS 27 60.891 66.698 33.506 212 HE3 LYS 27 HE3 LYS 27 60.071 67.936 32.571 213 HZ1 LYS 27 HZ1 LYS 27 61.433 69.576 33.463 214 HZ2 LYS 27 HZ2 LYS 27 62.196 68.569 34.521 215 HZ3 LYS 27 HZ3 LYS 27 62.416 68.408 32.894 216 H VAL 28 H VAL 28 56.233 63.264 35.082 217 HA VAL 28 HA VAL 28 53.761 64.460 35.442 218 HB VAL 28 HB VAL 28 54.227 62.088 34.792 219 HG11 VAL 28 HG11 VAL 28 55.764 61.195 36.243 220 HG12 VAL 28 HG12 VAL 28 55.018 61.878 37.692 221 HG13 VAL 28 HG13 VAL 28 54.302 60.469 36.908 222 HG21 VAL 28 HG21 VAL 28 52.008 63.186 35.711 223 HG22 VAL 28 HG22 VAL 28 52.110 61.482 35.327 224 HG23 VAL 28 HG23 VAL 28 52.259 62.028 37.031 225 H THR 29 H THR 29 52.247 64.278 37.350 226 HA THR 29 HA THR 29 53.255 64.525 40.031 227 HB THR 29 HB THR 29 52.152 66.846 40.370 228 HG1 THR 29 HG1 THR 29 52.612 67.064 37.698 229 HG21 THR 29 HG21 THR 29 54.167 67.955 40.321 230 HG22 THR 29 HG22 THR 29 54.730 66.307 40.276 231 HG23 THR 29 HG23 THR 29 54.674 67.252 38.766 232 H GLU 30 H GLU 30 51.447 65.223 41.465 233 HA GLU 30 HA GLU 30 49.292 63.394 41.072 234 HB2 GLU 30 HB2 GLU 30 49.778 65.515 43.196 235 HB3 GLU 30 HB3 GLU 30 48.576 64.217 43.303 236 HG2 GLU 30 HG2 GLU 30 50.433 62.536 43.012 237 HG3 GLU 30 HG3 GLU 30 51.597 63.851 43.174 238 H GLU 31 H GLU 31 49.670 66.885 40.537 239 HA GLU 31 HA GLU 31 46.917 67.587 40.042 240 HB2 GLU 31 HB2 GLU 31 49.533 68.766 39.059 241 HB3 GLU 31 HB3 GLU 31 47.951 69.502 38.799 242 HG2 GLU 31 HG2 GLU 31 47.606 69.597 41.279 243 HG3 GLU 31 HG3 GLU 31 49.254 69.032 41.494 244 H LEU 32 H LEU 32 49.423 66.184 37.837 245 HA LEU 32 HA LEU 32 47.828 66.691 35.446 246 HB2 LEU 32 HB2 LEU 32 50.152 66.549 35.253 247 HB3 LEU 32 HB3 LEU 32 50.245 64.966 36.002 248 HG LEU 32 HG LEU 32 50.675 64.974 33.574 249 HD11 LEU 32 HD11 LEU 32 49.500 63.089 32.864 250 HD12 LEU 32 HD12 LEU 32 49.773 62.881 34.595 251 HD13 LEU 32 HD13 LEU 32 48.160 63.357 33.981 252 HD21 LEU 32 HD21 LEU 32 48.781 65.124 31.959 253 HD22 LEU 32 HD22 LEU 32 47.791 65.852 33.224 254 HD23 LEU 32 HD23 LEU 32 49.278 66.665 32.682 255 H LEU 33 H LEU 33 48.422 63.871 37.594 256 HA LEU 33 HA LEU 33 46.650 62.085 36.191 257 HB2 LEU 33 HB2 LEU 33 47.416 62.143 39.140 258 HB3 LEU 33 HB3 LEU 33 46.803 60.729 38.324 259 HG LEU 33 HG LEU 33 49.529 62.015 37.846 260 HD11 LEU 33 HD11 LEU 33 48.704 59.443 39.194 261 HD12 LEU 33 HD12 LEU 33 50.377 59.906 38.738 262 HD13 LEU 33 HD13 LEU 33 49.487 60.887 39.907 263 HD21 LEU 33 HD21 LEU 33 50.057 60.438 36.246 264 HD22 LEU 33 HD22 LEU 33 48.724 59.344 36.668 265 HD23 LEU 33 HD23 LEU 33 48.414 60.836 35.767 266 H PHE 34 H PHE 34 46.027 64.173 39.044 267 HA PHE 34 HA PHE 34 43.287 63.508 39.300 268 HB2 PHE 34 HB2 PHE 34 44.965 64.764 40.815 269 HB3 PHE 34 HB3 PHE 34 44.540 66.214 39.893 270 HD1 PHE 34 HD2 PHE 34 43.414 63.578 42.225 271 HD2 PHE 34 HD1 PHE 34 42.465 67.386 40.451 272 HE1 PHE 34 HE2 PHE 34 41.406 63.731 43.653 273 HE2 PHE 34 HE1 PHE 34 40.514 67.597 41.983 274 HZ PHE 34 HZ PHE 34 39.940 65.744 43.527 275 H GLU 35 H GLU 35 44.837 65.960 37.226 276 HA GLU 35 HA GLU 35 42.442 67.169 36.180 277 HB2 GLU 35 HB2 GLU 35 44.482 68.327 35.921 278 HB3 GLU 35 HB3 GLU 35 45.339 66.948 35.271 279 HG2 GLU 35 HG2 GLU 35 44.845 68.556 33.496 280 HG3 GLU 35 HG3 GLU 35 44.062 67.024 33.225 281 H LEU 36 H LEU 36 44.439 64.462 35.100 282 HA LEU 36 HA LEU 36 42.953 63.861 32.729 283 HB2 LEU 36 HB2 LEU 36 45.308 63.504 32.803 284 HB3 LEU 36 HB3 LEU 36 45.227 62.584 34.285 285 HG LEU 36 HG LEU 36 43.976 61.293 31.835 286 HD11 LEU 36 HD11 LEU 36 46.966 61.442 32.407 287 HD12 LEU 36 HD12 LEU 36 46.118 60.356 31.261 288 HD13 LEU 36 HD13 LEU 36 46.112 62.114 31.005 289 HD21 LEU 36 HD21 LEU 36 45.030 59.299 32.896 290 HD22 LEU 36 HD22 LEU 36 45.434 60.323 34.303 291 HD23 LEU 36 HD23 LEU 36 43.738 60.043 33.818 292 H PHE 37 H PHE 37 43.019 62.332 35.937 293 HA PHE 37 HA PHE 37 41.038 60.330 35.154 294 HB2 PHE 37 HB2 PHE 37 42.208 60.818 37.912 295 HB3 PHE 37 HB3 PHE 37 41.108 59.532 37.472 296 HD1 PHE 37 HD2 PHE 37 41.952 57.901 35.494 297 HD2 PHE 37 HD1 PHE 37 44.488 60.359 37.947 298 HE1 PHE 37 HE2 PHE 37 43.985 56.680 34.653 299 HE2 PHE 37 HE1 PHE 37 46.502 59.230 36.981 300 HZ PHE 37 HZ PHE 37 46.238 57.468 35.303 301 H HIS 38 H HIS 38 40.659 63.639 35.789 302 HA HIS 38 HA HIS 38 38.111 63.380 37.203 303 HB2 HIS 38 HB2 HIS 38 39.342 65.364 37.481 304 HB3 HIS 38 HB3 HIS 38 39.394 65.769 35.779 305 HD2 HIS 38 HD2 HIS 38 37.671 66.527 38.894 306 HE1 HIS 38 HE1 HIS 38 34.647 67.408 36.065 307 HE2 HIS 38 HE2 HIS 38 35.388 67.671 38.485 308 H GLN 39 H GLN 39 39.187 63.090 33.965 309 HA GLN 39 HA GLN 39 36.622 63.032 32.616 310 HB2 GLN 39 HB2 GLN 39 39.367 61.834 32.165 311 HB3 GLN 39 HB3 GLN 39 38.061 61.642 30.992 312 HG2 GLN 39 HG2 GLN 39 37.889 64.070 30.701 313 HG3 GLN 39 HG3 GLN 39 39.239 64.341 31.818 314 HE21 GLN 39 HE22 GLN 39 41.283 64.678 30.727 315 HE22 GLN 39 HE21 GLN 39 41.532 64.104 29.106 316 H ALA 40 H ALA 40 38.507 60.680 34.537 317 HA ALA 40 HA ALA 40 36.901 58.471 33.459 318 HB1 ALA 40 HB1 ALA 40 38.899 58.233 35.701 319 HB2 ALA 40 HB2 ALA 40 38.385 57.030 34.499 320 HB3 ALA 40 HB3 ALA 40 39.454 58.378 34.014 321 H GLY 41 H GLY 41 36.936 60.500 36.294 322 HA2 GLY 41 HA2 GLY 41 34.394 60.460 37.042 323 HA3 GLY 41 HA3 GLY 41 34.816 58.798 37.509 324 HA PRO 42 HA PRO 42 35.403 61.401 41.079 325 HB2 PRO 42 HB2 PRO 42 34.256 59.844 42.995 326 HB3 PRO 42 HB3 PRO 42 33.290 60.700 41.742 327 HG2 PRO 42 HG2 PRO 42 34.324 57.844 41.672 328 HG3 PRO 42 HG3 PRO 42 32.617 58.347 41.495 329 HD2 PRO 42 HD2 PRO 42 34.211 57.900 39.365 330 HD3 PRO 42 HD3 PRO 42 33.078 59.277 39.316 331 H VAL 43 H VAL 43 37.376 61.539 41.814 332 HA VAL 43 HA VAL 43 38.899 59.119 42.682 333 HB VAL 43 HB VAL 43 40.964 60.312 42.039 334 HG11 VAL 43 HG11 VAL 43 39.058 59.548 39.803 335 HG12 VAL 43 HG12 VAL 43 40.823 59.661 39.699 336 HG13 VAL 43 HG13 VAL 43 40.084 58.473 40.793 337 HG21 VAL 43 HG21 VAL 43 39.142 62.058 40.311 338 HG22 VAL 43 HG22 VAL 43 40.180 62.662 41.623 339 HG23 VAL 43 HG23 VAL 43 40.901 61.925 40.187 340 H ILE 44 H ILE 44 39.245 59.019 44.728 341 HA ILE 44 HA ILE 44 38.429 60.960 46.648 342 HB ILE 44 HB ILE 44 40.362 58.621 46.918 343 HG12 ILE 44 HG12 ILE 44 38.175 57.821 46.094 344 HG13 ILE 44 HG13 ILE 44 38.586 57.189 47.668 345 HG21 ILE 44 HG21 ILE 44 39.691 58.631 49.337 346 HG22 ILE 44 HG22 ILE 44 40.627 60.050 48.852 347 HG23 ILE 44 HG23 ILE 44 38.884 60.194 49.054 348 HD11 ILE 44 HD11 ILE 44 37.094 58.875 48.766 349 HD12 ILE 44 HD12 ILE 44 36.638 59.447 47.140 350 HD13 ILE 44 HD13 ILE 44 36.250 57.784 47.701 351 H LYS 45 H LYS 45 41.587 59.897 45.644 352 HA LYS 45 HA LYS 45 43.086 62.357 45.890 353 HB2 LYS 45 HB2 LYS 45 44.524 61.858 47.574 354 HB3 LYS 45 HB3 LYS 45 42.974 61.502 48.284 355 HG2 LYS 45 HG2 LYS 45 44.339 59.116 47.092 356 HG3 LYS 45 HG3 LYS 45 45.258 59.901 48.350 357 HD2 LYS 45 HD2 LYS 45 42.444 58.817 48.670 358 HD3 LYS 45 HD3 LYS 45 43.925 58.078 49.259 359 HE2 LYS 45 HE2 LYS 45 43.362 60.911 50.120 360 HE3 LYS 45 HE3 LYS 45 42.309 59.657 50.759 361 HZ1 LYS 45 HZ1 LYS 45 45.260 59.781 51.041 362 HZ2 LYS 45 HZ2 LYS 45 44.138 60.096 52.174 363 HZ3 LYS 45 HZ3 LYS 45 44.296 58.591 51.684 364 H VAL 46 H VAL 46 45.322 61.954 45.087 365 HA VAL 46 HA VAL 46 45.774 59.448 43.547 366 HB VAL 46 HB VAL 46 46.640 62.347 43.112 367 HG11 VAL 46 HG11 VAL 46 48.598 60.959 42.522 368 HG12 VAL 46 HG12 VAL 46 47.565 60.099 41.337 369 HG13 VAL 46 HG13 VAL 46 47.889 61.856 41.204 370 HG21 VAL 46 HG21 VAL 46 44.350 61.577 42.227 371 HG22 VAL 46 HG22 VAL 46 45.444 62.215 40.992 372 HG23 VAL 46 HG23 VAL 46 45.205 60.479 41.134 373 H LYS 47 H LYS 47 48.087 58.706 43.424 374 HA LYS 47 HA LYS 47 49.994 59.918 45.363 375 HB2 LYS 47 HB2 LYS 47 49.300 57.704 46.282 376 HB3 LYS 47 HB3 LYS 47 49.331 57.020 44.673 377 HG2 LYS 47 HG2 LYS 47 51.213 56.163 45.810 378 HG3 LYS 47 HG3 LYS 47 51.814 57.246 44.580 379 HD2 LYS 47 HD2 LYS 47 52.087 59.072 46.365 380 HD3 LYS 47 HD3 LYS 47 51.583 57.890 47.541 381 HE2 LYS 47 HE2 LYS 47 53.906 57.392 45.561 382 HE3 LYS 47 HE3 LYS 47 54.182 58.243 47.070 383 HZ1 LYS 47 HZ1 LYS 47 53.621 56.364 48.274 384 HZ2 LYS 47 HZ2 LYS 47 52.966 55.563 47.043 385 HZ3 LYS 47 HZ3 LYS 47 54.576 55.783 47.122 386 H ILE 48 H ILE 48 51.844 60.489 44.659 387 HA ILE 48 HA ILE 48 52.916 59.339 42.112 388 HB ILE 48 HB ILE 48 52.958 62.134 43.155 389 HG12 ILE 48 HG12 ILE 48 51.329 61.188 41.393 390 HG13 ILE 48 HG13 ILE 48 52.183 62.695 41.007 391 HG21 ILE 48 HG21 ILE 48 55.081 60.937 41.375 392 HG22 ILE 48 HG22 ILE 48 54.782 62.690 41.536 393 HG23 ILE 48 HG23 ILE 48 55.291 61.760 42.937 394 HD11 ILE 48 HD11 ILE 48 52.720 59.936 39.875 395 HD12 ILE 48 HD12 ILE 48 51.997 61.358 39.081 396 HD13 ILE 48 HD13 ILE 48 53.711 61.384 39.523 397 HA PRO 49 HA PRO 49 56.219 58.116 45.026 398 HB2 PRO 49 HB2 PRO 49 57.650 56.659 43.192 399 HB3 PRO 49 HB3 PRO 49 56.244 55.974 44.057 400 HG2 PRO 49 HG2 PRO 49 56.392 57.179 41.299 401 HG3 PRO 49 HG3 PRO 49 55.498 55.689 41.811 402 HD2 PRO 49 HD2 PRO 49 54.312 58.103 41.378 403 HD3 PRO 49 HD3 PRO 49 53.697 57.005 42.601 404 H LYS 50 H LYS 50 58.683 58.407 44.904 405 HA LYS 50 HA LYS 50 59.911 59.863 42.785 406 HB2 LYS 50 HB2 LYS 50 59.076 61.383 45.237 407 HB3 LYS 50 HB3 LYS 50 60.685 61.683 44.532 408 HG2 LYS 50 HG2 LYS 50 59.379 61.788 42.267 409 HG3 LYS 50 HG3 LYS 50 57.991 62.131 43.307 410 HD2 LYS 50 HD2 LYS 50 59.304 63.956 44.437 411 HD3 LYS 50 HD3 LYS 50 60.571 63.803 43.206 412 HE2 LYS 50 HE2 LYS 50 59.195 64.401 41.461 413 HE3 LYS 50 HE3 LYS 50 57.728 64.014 42.347 414 HZ1 LYS 50 HZ1 LYS 50 58.423 66.445 42.158 415 HZ2 LYS 50 HZ2 LYS 50 57.831 65.898 43.550 416 HZ3 LYS 50 HZ3 LYS 50 59.458 66.133 43.394 417 H ASP 51 H ASP 51 61.636 58.767 42.703 418 HA ASP 51 HA ASP 51 63.099 57.369 44.727 419 HB2 ASP 51 HB2 ASP 51 63.341 57.077 42.239 420 HB3 ASP 51 HB3 ASP 51 64.050 58.680 42.131 421 H LYS 52 H LYS 52 65.402 57.938 45.425 422 HA LYS 52 HA LYS 52 65.654 60.419 46.742 423 HB2 LYS 52 HB2 LYS 52 68.049 59.871 46.883 424 HB3 LYS 52 HB3 LYS 52 67.068 58.455 47.241 425 HG2 LYS 52 HG2 LYS 52 68.499 57.409 45.943 426 HG3 LYS 52 HG3 LYS 52 67.356 57.892 44.680 427 HD2 LYS 52 HD2 LYS 52 68.885 59.763 44.045 428 HD3 LYS 52 HD3 LYS 52 70.022 59.183 45.277 429 HE2 LYS 52 HE2 LYS 52 68.934 57.528 42.925 430 HE3 LYS 52 HE3 LYS 52 70.482 58.381 42.839 431 HZ1 LYS 52 HZ1 LYS 52 71.436 56.937 44.290 432 HZ2 LYS 52 HZ2 LYS 52 70.066 56.458 44.968 433 HZ3 LYS 52 HZ3 LYS 52 70.461 55.920 43.487 434 H ASP 53 H ASP 53 66.114 59.571 43.374 435 HA ASP 53 HA ASP 53 67.528 61.981 42.677 436 HB2 ASP 53 HB2 ASP 53 67.772 59.794 41.562 437 HB3 ASP 53 HB3 ASP 53 66.106 59.898 40.987 438 H GLY 54 H GLY 54 64.291 61.541 43.606 439 HA2 GLY 54 HA2 GLY 54 62.505 62.972 43.575 440 HA3 GLY 54 HA3 GLY 54 63.446 64.177 42.712 441 H LYS 55 H LYS 55 62.610 60.781 41.859 442 HA LYS 55 HA LYS 55 61.106 61.786 39.502 443 HB2 LYS 55 HB2 LYS 55 63.446 61.220 38.889 444 HB3 LYS 55 HB3 LYS 55 63.121 59.539 39.417 445 HG2 LYS 55 HG2 LYS 55 62.830 59.349 37.109 446 HG3 LYS 55 HG3 LYS 55 61.214 59.533 37.690 447 HD2 LYS 55 HD2 LYS 55 61.241 60.939 35.878 448 HD3 LYS 55 HD3 LYS 55 61.473 62.087 37.166 449 HE2 LYS 55 HE2 LYS 55 64.119 61.348 36.518 450 HE3 LYS 55 HE3 LYS 55 63.308 61.322 34.962 451 HZ1 LYS 55 HZ1 LYS 55 64.239 63.463 35.462 452 HZ2 LYS 55 HZ2 LYS 55 62.660 63.654 35.373 453 HZ3 LYS 55 HZ3 LYS 55 63.351 63.618 36.838 454 HA PRO 56 HA PRO 56 58.194 58.818 40.979 455 HB2 PRO 56 HB2 PRO 56 56.422 58.991 38.858 456 HB3 PRO 56 HB3 PRO 56 56.632 60.322 40.092 457 HG2 PRO 56 HG2 PRO 56 57.845 59.944 37.367 458 HG3 PRO 56 HG3 PRO 56 57.069 61.456 38.021 459 HD2 PRO 56 HD2 PRO 56 59.711 61.248 38.070 460 HD3 PRO 56 HD3 PRO 56 58.809 61.914 39.461 461 H LYS 57 H LYS 57 60.461 57.871 39.001 462 HA LYS 57 HA LYS 57 60.978 55.921 37.832 463 HB2 LYS 57 HB2 LYS 57 58.914 54.659 39.632 464 HB3 LYS 57 HB3 LYS 57 60.366 53.911 38.982 465 HG2 LYS 57 HG2 LYS 57 61.351 54.383 40.920 466 HG3 LYS 57 HG3 LYS 57 61.431 56.061 40.391 467 HD2 LYS 57 HD2 LYS 57 59.429 56.677 41.525 468 HD3 LYS 57 HD3 LYS 57 59.026 54.972 41.908 469 HE2 LYS 57 HE2 LYS 57 61.641 56.191 42.693 470 HE3 LYS 57 HE3 LYS 57 60.231 56.552 43.705 471 HZ1 LYS 57 HZ1 LYS 57 61.511 54.607 44.426 472 HZ2 LYS 57 HZ2 LYS 57 59.927 54.262 44.178 473 HZ3 LYS 57 HZ3 LYS 57 61.091 53.810 43.106 474 H GLN 58 H GLN 58 58.771 57.388 36.639 475 HA GLN 58 HA GLN 58 57.086 57.298 35.182 476 HB2 GLN 58 HB2 GLN 58 58.539 54.766 34.365 477 HB3 GLN 58 HB3 GLN 58 57.184 55.489 33.483 478 HG2 GLN 58 HG2 GLN 58 58.679 57.679 33.649 479 HG3 GLN 58 HG3 GLN 58 59.992 56.493 33.906 480 HE21 GLN 58 HE22 GLN 58 57.547 57.788 31.872 481 HE22 GLN 58 HE21 GLN 58 57.635 56.697 30.511 482 H PHE 59 H PHE 59 56.252 56.275 37.748 483 HA PHE 59 HA PHE 59 53.879 54.712 36.923 484 HB2 PHE 59 HB2 PHE 59 54.096 52.845 38.014 485 HB3 PHE 59 HB3 PHE 59 55.718 53.127 37.437 486 HD1 PHE 59 HD1 PHE 59 53.536 53.310 40.492 487 HD2 PHE 59 HD2 PHE 59 57.538 53.087 38.952 488 HE1 PHE 59 HE1 PHE 59 54.412 53.041 42.811 489 HE2 PHE 59 HE2 PHE 59 58.402 52.684 41.263 490 HZ PHE 59 HZ PHE 59 56.843 52.786 43.196 491 H ALA 60 H ALA 60 52.189 54.593 38.692 492 HA ALA 60 HA ALA 60 52.335 56.310 41.039 493 HB1 ALA 60 HB1 ALA 60 50.553 57.174 38.732 494 HB2 ALA 60 HB2 ALA 60 50.616 57.895 40.334 495 HB3 ALA 60 HB3 ALA 60 52.049 57.991 39.302 496 H PHE 61 H PHE 61 49.964 56.581 41.911 497 HA PHE 61 HA PHE 61 48.104 54.349 41.237 498 HB2 PHE 61 HB2 PHE 61 49.445 55.115 43.808 499 HB3 PHE 61 HB3 PHE 61 47.800 54.547 43.921 500 HD1 PHE 61 HD1 PHE 61 47.256 52.175 43.185 501 HD2 PHE 61 HD2 PHE 61 51.310 53.641 43.339 502 HE1 PHE 61 HE1 PHE 61 48.068 49.887 43.646 503 HE2 PHE 61 HE2 PHE 61 52.128 51.307 43.583 504 HZ PHE 61 HZ PHE 61 50.503 49.459 43.923 505 H VAL 62 H VAL 62 45.878 54.767 41.650 506 HA VAL 62 HA VAL 62 45.097 57.462 42.674 507 HB VAL 62 HB VAL 62 43.586 55.850 40.571 508 HG11 VAL 62 HG11 VAL 62 43.276 58.687 41.575 509 HG12 VAL 62 HG12 VAL 62 42.561 58.107 40.066 510 HG13 VAL 62 HG13 VAL 62 42.099 57.334 41.582 511 HG21 VAL 62 HG21 VAL 62 45.479 56.380 39.347 512 HG22 VAL 62 HG22 VAL 62 44.372 57.707 38.974 513 HG23 VAL 62 HG23 VAL 62 45.689 57.974 40.135 514 H ASN 63 H ASN 63 43.471 57.549 44.149 515 HA ASN 63 HA ASN 63 42.478 54.990 45.267 516 HB2 ASN 63 HB2 ASN 63 43.694 56.982 46.548 517 HB3 ASN 63 HB3 ASN 63 42.114 57.703 46.566 518 HD21 ASN 63 HD22 ASN 63 43.886 54.629 47.210 519 HD22 ASN 63 HD21 ASN 63 42.967 54.259 48.658 520 H PHE 64 H PHE 64 40.533 54.264 45.034 521 HA PHE 64 HA PHE 64 38.350 55.970 43.998 522 HB2 PHE 64 HB2 PHE 64 37.367 53.907 43.100 523 HB3 PHE 64 HB3 PHE 64 38.936 54.262 42.453 524 HD1 PHE 64 HD1 PHE 64 37.518 52.106 45.294 525 HD2 PHE 64 HD2 PHE 64 40.324 52.454 42.015 526 HE1 PHE 64 HE1 PHE 64 38.365 49.842 45.753 527 HE2 PHE 64 HE2 PHE 64 41.199 50.213 42.548 528 HZ PHE 64 HZ PHE 64 40.265 48.910 44.404 529 H LYS 65 H LYS 65 36.202 55.338 44.834 530 HA LYS 65 HA LYS 65 36.253 55.440 47.727 531 HB2 LYS 65 HB2 LYS 65 34.046 56.271 47.444 532 HB3 LYS 65 HB3 LYS 65 35.022 56.915 46.133 533 HG2 LYS 65 HG2 LYS 65 34.024 55.162 44.567 534 HG3 LYS 65 HG3 LYS 65 33.012 54.603 45.897 535 HD2 LYS 65 HD2 LYS 65 32.188 56.937 46.215 536 HD3 LYS 65 HD3 LYS 65 33.098 57.411 44.763 537 HE2 LYS 65 HE2 LYS 65 31.761 55.820 43.414 538 HE3 LYS 65 HE3 LYS 65 30.842 55.350 44.864 539 HZ1 LYS 65 HZ1 LYS 65 29.944 57.176 43.323 540 HZ2 LYS 65 HZ2 LYS 65 29.810 57.393 44.932 541 HZ3 LYS 65 HZ3 LYS 65 30.946 58.160 44.080 542 H HIS 66 H HIS 66 35.275 53.050 45.399 543 HA HIS 66 HA HIS 66 33.460 51.571 47.120 544 HB2 HIS 66 HB2 HIS 66 33.470 51.810 44.614 545 HB3 HIS 66 HB3 HIS 66 34.871 50.728 44.593 546 HD2 HIS 66 HD2 HIS 66 33.041 49.294 43.003 547 HE1 HIS 66 HE1 HIS 66 30.982 47.616 46.327 548 HE2 HIS 66 HE2 HIS 66 31.316 47.491 43.803 549 H GLU 67 H GLU 67 33.876 49.143 47.441 550 HA GLU 67 HA GLU 67 36.500 48.782 48.759 551 HB2 GLU 67 HB2 GLU 67 34.249 48.277 49.845 552 HB3 GLU 67 HB3 GLU 67 34.129 46.885 48.737 553 HG2 GLU 67 HG2 GLU 67 36.271 46.023 49.629 554 HG3 GLU 67 HG3 GLU 67 36.372 47.444 50.691 555 H VAL 68 H VAL 68 34.900 47.817 45.813 556 HA VAL 68 HA VAL 68 37.284 46.168 45.190 557 HB VAL 68 HB VAL 68 35.505 44.668 45.288 558 HG11 VAL 68 HG11 VAL 68 33.972 46.284 43.211 559 HG12 VAL 68 HG12 VAL 68 33.449 44.807 44.038 560 HG13 VAL 68 HG13 VAL 68 33.591 46.328 44.941 561 HG21 VAL 68 HG21 VAL 68 37.088 44.503 43.221 562 HG22 VAL 68 HG22 VAL 68 35.500 43.735 43.019 563 HG23 VAL 68 HG23 VAL 68 35.813 45.331 42.326 564 H SER 69 H SER 69 38.233 46.554 43.305 565 HA SER 69 HA SER 69 38.500 49.143 42.435 566 HB2 SER 69 HB2 SER 69 40.082 47.168 42.142 567 HB3 SER 69 HB3 SER 69 39.126 46.672 40.754 568 HG SER 69 HG SER 69 40.810 47.978 40.168 569 H VAL 70 H VAL 70 37.816 50.472 41.030 570 HA VAL 70 HA VAL 70 35.782 49.688 38.997 571 HB VAL 70 HB VAL 70 34.814 52.012 39.374 572 HG11 VAL 70 HG11 VAL 70 33.704 49.996 40.279 573 HG12 VAL 70 HG12 VAL 70 34.751 50.026 41.694 574 HG13 VAL 70 HG13 VAL 70 33.594 51.339 41.432 575 HG21 VAL 70 HG21 VAL 70 36.742 53.048 40.616 576 HG22 VAL 70 HG22 VAL 70 35.217 53.165 41.474 577 HG23 VAL 70 HG23 VAL 70 36.404 51.955 41.980 578 HA PRO 71 HA PRO 71 39.600 51.464 37.216 579 HB2 PRO 71 HB2 PRO 71 40.180 49.408 35.352 580 HB3 PRO 71 HB3 PRO 71 40.749 49.525 37.016 581 HG2 PRO 71 HG2 PRO 71 38.750 47.718 35.872 582 HG3 PRO 71 HG3 PRO 71 39.447 47.692 37.525 583 HD2 PRO 71 HD2 PRO 71 36.871 48.714 36.636 584 HD3 PRO 71 HD3 PRO 71 37.488 48.368 38.284 585 H TYR 72 H TYR 72 37.283 52.673 36.490 586 HA TYR 72 HA TYR 72 36.343 52.433 33.838 587 HB2 TYR 72 HB2 TYR 72 35.340 53.802 35.794 588 HB3 TYR 72 HB3 TYR 72 36.472 55.073 35.365 589 HD1 TYR 72 HD2 TYR 72 33.535 53.101 34.269 590 HD2 TYR 72 HD1 TYR 72 36.088 56.470 33.418 591 HE1 TYR 72 HE2 TYR 72 31.815 54.019 32.751 592 HE2 TYR 72 HE1 TYR 72 34.396 57.348 31.815 593 HH TYR 72 HH TYR 72 32.176 56.957 30.999 594 H ALA 73 H ALA 73 39.038 54.453 35.093 595 HA ALA 73 HA ALA 73 39.762 55.623 32.665 596 HB1 ALA 73 HB1 ALA 73 41.660 54.761 34.925 597 HB2 ALA 73 HB2 ALA 73 41.966 56.000 33.715 598 HB3 ALA 73 HB3 ALA 73 40.695 56.247 34.932 599 H MET 74 H MET 74 40.297 52.292 33.547 600 HA MET 74 HA MET 74 42.604 51.737 31.827 601 HB2 MET 74 HB2 MET 74 41.747 50.555 33.978 602 HB3 MET 74 HB3 MET 74 40.675 49.669 32.911 603 HG2 MET 74 HG2 MET 74 43.725 49.774 32.751 604 HG3 MET 74 HG3 MET 74 42.853 48.521 33.541 605 HE1 MET 74 HE1 MET 74 40.344 47.882 31.250 606 HE2 MET 74 HE2 MET 74 41.187 46.711 30.242 607 HE3 MET 74 HE3 MET 74 41.260 46.548 31.997 608 H ASN 75 H ASN 75 39.119 51.926 31.405 609 HA ASN 75 HA ASN 75 39.357 51.201 28.523 610 HB2 ASN 75 HB2 ASN 75 37.587 50.085 29.722 611 HB3 ASN 75 HB3 ASN 75 36.991 51.627 30.359 612 HD21 ASN 75 HD22 ASN 75 35.565 52.784 29.177 613 HD22 ASN 75 HD21 ASN 75 35.028 52.296 27.572 614 H LEU 76 H LEU 76 38.762 54.080 30.577 615 HA LEU 76 HA LEU 76 37.713 55.690 28.432 616 HB2 LEU 76 HB2 LEU 76 37.300 55.769 30.954 617 HB3 LEU 76 HB3 LEU 76 38.841 56.640 31.051 618 HG LEU 76 HG LEU 76 36.746 57.897 31.271 619 HD11 LEU 76 HD11 LEU 76 38.430 58.965 29.000 620 HD12 LEU 76 HD12 LEU 76 37.142 59.816 29.807 621 HD13 LEU 76 HD13 LEU 76 38.515 59.255 30.786 622 HD21 LEU 76 HD21 LEU 76 35.230 58.395 29.717 623 HD22 LEU 76 HD22 LEU 76 36.167 57.814 28.335 624 HD23 LEU 76 HD23 LEU 76 35.436 56.648 29.490 625 H LEU 77 H LEU 77 41.004 55.300 29.774 626 HA LEU 77 HA LEU 77 42.040 57.491 28.002 627 HB2 LEU 77 HB2 LEU 77 43.203 56.596 30.648 628 HB3 LEU 77 HB3 LEU 77 43.906 57.725 29.495 629 HG LEU 77 HG LEU 77 43.114 59.163 31.025 630 HD11 LEU 77 HD11 LEU 77 41.031 60.236 30.438 631 HD12 LEU 77 HD12 LEU 77 41.872 59.821 28.929 632 HD13 LEU 77 HD13 LEU 77 40.501 58.845 29.466 633 HD21 LEU 77 HD21 LEU 77 41.008 58.886 32.305 634 HD22 LEU 77 HD22 LEU 77 40.896 57.241 31.606 635 HD23 LEU 77 HD23 LEU 77 42.316 57.738 32.592 636 H ASN 78 H ASN 78 43.712 54.848 29.693 637 HA ASN 78 HA ASN 78 45.741 53.939 28.862 638 HB2 ASN 78 HB2 ASN 78 43.931 52.404 29.467 639 HB3 ASN 78 HB3 ASN 78 43.457 52.257 27.762 640 HD21 ASN 78 HD22 ASN 78 45.822 51.833 26.481 641 HD22 ASN 78 HD21 ASN 78 46.684 50.449 27.147 642 H GLY 79 H GLY 79 46.515 55.719 27.481 643 HA2 GLY 79 HA2 GLY 79 47.697 55.169 25.165 644 HA3 GLY 79 HA3 GLY 79 46.043 55.342 24.568 645 H ILE 80 H ILE 80 46.749 57.587 27.153 646 HA ILE 80 HA ILE 80 46.931 59.749 25.100 647 HB ILE 80 HB ILE 80 45.028 60.859 26.101 648 HG12 ILE 80 HG12 ILE 80 43.807 59.206 27.905 649 HG13 ILE 80 HG13 ILE 80 45.519 58.977 28.331 650 HG21 ILE 80 HG21 ILE 80 44.238 57.943 25.736 651 HG22 ILE 80 HG22 ILE 80 43.195 59.367 25.713 652 HG23 ILE 80 HG23 ILE 80 44.427 59.165 24.447 653 HD11 ILE 80 HD11 ILE 80 44.479 61.782 27.974 654 HD12 ILE 80 HD12 ILE 80 44.076 60.864 29.436 655 HD13 ILE 80 HD13 ILE 80 45.784 61.163 29.010 656 H LYS 81 H LYS 81 47.314 61.871 25.921 657 HA LYS 81 HA LYS 81 48.444 62.252 28.527 658 HB2 LYS 81 HB2 LYS 81 50.885 62.468 27.650 659 HB3 LYS 81 HB3 LYS 81 50.195 60.931 28.089 660 HG2 LYS 81 HG2 LYS 81 51.475 60.569 26.108 661 HG3 LYS 81 HG3 LYS 81 49.807 60.283 25.776 662 HD2 LYS 81 HD2 LYS 81 49.533 62.472 24.717 663 HD3 LYS 81 HD3 LYS 81 51.244 62.836 24.979 664 HE2 LYS 81 HE2 LYS 81 51.809 60.680 23.707 665 HE3 LYS 81 HE3 LYS 81 50.084 60.422 23.463 666 HZ1 LYS 81 HZ1 LYS 81 51.114 61.407 21.569 667 HZ2 LYS 81 HZ2 LYS 81 50.090 62.518 22.175 668 HZ3 LYS 81 HZ3 LYS 81 51.730 62.619 22.417 669 H LEU 82 H LEU 82 49.914 64.121 28.649 670 HA LEU 82 HA LEU 82 49.152 66.437 26.925 671 HB2 LEU 82 HB2 LEU 82 47.581 66.016 28.760 672 HB3 LEU 82 HB3 LEU 82 48.883 66.202 29.927 673 HG LEU 82 HG LEU 82 48.965 68.597 29.558 674 HD11 LEU 82 HD11 LEU 82 48.744 68.709 27.127 675 HD12 LEU 82 HD12 LEU 82 47.030 68.217 27.239 676 HD13 LEU 82 HD13 LEU 82 47.572 69.766 27.918 677 HD21 LEU 82 HD21 LEU 82 47.108 67.480 30.882 678 HD22 LEU 82 HD22 LEU 82 46.714 69.112 30.296 679 HD23 LEU 82 HD23 LEU 82 46.071 67.662 29.471 680 H TYR 83 H TYR 83 51.650 64.868 27.371 681 HA TYR 83 HA TYR 83 53.586 67.073 27.725 682 HB2 TYR 83 HB2 TYR 83 53.466 64.608 29.448 683 HB3 TYR 83 HB3 TYR 83 54.996 65.425 29.160 684 HD1 TYR 83 HD1 TYR 83 54.882 68.143 29.689 685 HD2 TYR 83 HD2 TYR 83 52.497 65.017 31.484 686 HE1 TYR 83 HE1 TYR 83 54.512 69.567 31.678 687 HE2 TYR 83 HE2 TYR 83 52.313 66.394 33.570 688 HH TYR 83 HH TYR 83 53.706 69.593 33.846 689 H GLY 84 H GLY 84 53.206 63.502 27.398 690 HA2 GLY 84 HA2 GLY 84 54.074 63.316 24.728 691 HA3 GLY 84 HA3 GLY 84 55.510 63.126 25.715 692 H ARG 85 H ARG 85 54.533 61.396 27.849 693 HA ARG 85 HA ARG 85 54.252 58.918 26.247 694 HB2 ARG 85 HB2 ARG 85 55.156 59.219 29.148 695 HB3 ARG 85 HB3 ARG 85 54.849 57.718 28.336 696 HG2 ARG 85 HG2 ARG 85 57.094 57.759 28.011 697 HG3 ARG 85 HG3 ARG 85 56.629 58.681 26.561 698 HD2 ARG 85 HD2 ARG 85 56.956 60.746 27.825 699 HD3 ARG 85 HD3 ARG 85 57.515 59.823 29.250 700 HE ARG 85 HE ARG 85 58.943 60.364 26.747 701 HH11 ARG 85 HH11 ARG 85 59.073 58.150 29.675 702 HH12 ARG 85 HH12 ARG 85 60.815 58.142 29.442 703 HH21 ARG 85 HH21 ARG 85 61.046 59.961 26.719 704 HH22 ARG 85 HH22 ARG 85 61.838 59.082 28.010 705 HA PRO 86 HA PRO 86 50.034 58.888 27.361 706 HB2 PRO 86 HB2 PRO 86 49.330 56.433 26.331 707 HB3 PRO 86 HB3 PRO 86 49.651 57.877 25.306 708 HG2 PRO 86 HG2 PRO 86 51.575 55.646 26.028 709 HG3 PRO 86 HG3 PRO 86 51.257 56.360 24.394 710 HD2 PRO 86 HD2 PRO 86 53.350 57.099 25.813 711 HD3 PRO 86 HD3 PRO 86 52.372 58.363 25.006 712 H ILE 87 H ILE 87 49.006 58.552 29.142 713 HA ILE 87 HA ILE 87 50.003 56.969 31.263 714 HB ILE 87 HB ILE 87 47.444 58.426 30.732 715 HG12 ILE 87 HG12 ILE 87 49.464 59.685 31.377 716 HG13 ILE 87 HG13 ILE 87 48.239 59.812 32.634 717 HG21 ILE 87 HG21 ILE 87 46.749 57.881 33.127 718 HG22 ILE 87 HG22 ILE 87 46.494 56.647 31.874 719 HG23 ILE 87 HG23 ILE 87 47.828 56.459 32.999 720 HD11 ILE 87 HD11 ILE 87 50.068 59.513 33.905 721 HD12 ILE 87 HD12 ILE 87 49.619 57.803 33.732 722 HD13 ILE 87 HD13 ILE 87 50.909 58.493 32.722 723 H LYS 88 H LYS 88 49.960 54.934 31.610 724 HA LYS 88 HA LYS 88 48.074 53.131 30.213 725 HB2 LYS 88 HB2 LYS 88 50.470 52.928 29.669 726 HB3 LYS 88 HB3 LYS 88 50.860 52.676 31.367 727 HG2 LYS 88 HG2 LYS 88 50.827 50.574 30.117 728 HG3 LYS 88 HG3 LYS 88 49.656 50.589 31.444 729 HD2 LYS 88 HD2 LYS 88 47.818 51.033 29.822 730 HD3 LYS 88 HD3 LYS 88 49.022 51.060 28.517 731 HE2 LYS 88 HE2 LYS 88 49.615 48.705 29.064 732 HE3 LYS 88 HE3 LYS 88 48.574 48.744 30.484 733 HZ1 LYS 88 HZ1 LYS 88 46.666 49.040 28.904 734 HZ2 LYS 88 HZ2 LYS 88 47.787 49.011 27.687 735 HZ3 LYS 88 HZ3 LYS 88 47.558 47.685 28.509 736 H ILE 89 H ILE 89 46.501 52.511 31.429 737 HA ILE 89 HA ILE 89 46.773 52.354 34.409 738 HB ILE 89 HB ILE 89 44.394 52.064 32.605 739 HG12 ILE 89 HG12 ILE 89 43.751 54.243 34.099 740 HG13 ILE 89 HG13 ILE 89 45.472 54.495 34.111 741 HG21 ILE 89 HG21 ILE 89 44.694 52.154 35.626 742 HG22 ILE 89 HG22 ILE 89 43.117 52.258 34.776 743 HG23 ILE 89 HG23 ILE 89 44.081 50.786 34.683 744 HD11 ILE 89 HD11 ILE 89 43.893 53.908 31.577 745 HD12 ILE 89 HD12 ILE 89 43.985 55.542 32.270 746 HD13 ILE 89 HD13 ILE 89 45.461 54.728 31.666 747 H GLN 90 H GLN 90 46.562 50.454 35.606 748 HA GLN 90 HA GLN 90 46.274 47.868 34.177 749 HB2 GLN 90 HB2 GLN 90 48.440 48.482 36.174 750 HB3 GLN 90 HB3 GLN 90 48.162 46.921 35.427 751 HG2 GLN 90 HG2 GLN 90 48.727 49.343 33.701 752 HG3 GLN 90 HG3 GLN 90 50.005 48.318 34.391 753 HE21 GLN 90 HE22 GLN 90 47.046 48.095 32.242 754 HE22 GLN 90 HE21 GLN 90 47.620 46.643 31.456 755 H PHE 91 H PHE 91 45.770 46.216 35.445 756 HA PHE 91 HA PHE 91 43.953 46.904 37.700 757 HB2 PHE 91 HB2 PHE 91 42.739 44.741 36.970 758 HB3 PHE 91 HB3 PHE 91 42.583 46.266 36.082 759 HD1 PHE 91 HD2 PHE 91 44.408 42.965 35.999 760 HD2 PHE 91 HD1 PHE 91 42.761 46.307 33.845 761 HE1 PHE 91 HE2 PHE 91 44.904 41.835 33.837 762 HE2 PHE 91 HE1 PHE 91 43.450 45.276 31.696 763 HZ PHE 91 HZ PHE 91 44.469 43.011 31.691 764 H ARG 92 H ARG 92 43.471 45.435 39.336 765 HA ARG 92 HA ARG 92 45.943 44.355 40.515 766 HB2 ARG 92 HB2 ARG 92 43.316 45.128 41.841 767 HB3 ARG 92 HB3 ARG 92 44.850 44.887 42.645 768 HG2 ARG 92 HG2 ARG 92 44.184 47.186 40.753 769 HG3 ARG 92 HG3 ARG 92 44.263 47.249 42.503 770 HD2 ARG 92 HD2 ARG 92 46.625 46.506 40.735 771 HD3 ARG 92 HD3 ARG 92 46.231 48.161 41.237 772 HE ARG 92 HE ARG 92 46.367 47.074 43.669 773 HH11 ARG 92 HH11 ARG 92 48.700 46.440 40.986 774 HH12 ARG 92 HH12 ARG 92 49.999 46.587 42.125 775 HH21 ARG 92 HH21 ARG 92 48.203 47.024 44.917 776 HH22 ARG 92 HH22 ARG 92 49.736 46.718 44.095 777 H SER 93 H SER 93 43.337 42.880 39.035 778 HA SER 93 HA SER 93 42.674 40.895 41.048 779 HB2 SER 93 HB2 SER 93 41.053 40.258 39.151 780 HB3 SER 93 HB3 SER 93 40.926 41.844 39.932 781 HG SER 93 HG SER 93 40.907 42.333 37.913 782 H GLY 94 H GLY 94 43.007 38.785 41.111 783 HA2 GLY 94 HA2 GLY 94 43.425 36.605 40.272 784 HA3 GLY 94 HA3 GLY 94 44.066 37.317 38.796 785 H SER 95 H SER 95 45.239 35.167 39.938 786 HA SER 95 HA SER 95 47.528 35.848 41.592 787 HB2 SER 95 HB2 SER 95 47.969 33.426 41.513 788 HB3 SER 95 HB3 SER 95 46.283 33.797 41.883 789 HG SER 95 HG SER 95 45.949 32.554 40.236 790 H SER 96 H SER 96 49.751 35.431 41.122 791 HA SER 96 HA SER 96 50.510 35.161 38.255 792 HB2 SER 96 HB2 SER 96 51.603 37.330 40.061 793 HB3 SER 96 HB3 SER 96 52.485 36.719 38.646 794 HG SER 96 HG SER 96 49.929 37.804 38.579 795 H HIS 97 H HIS 97 51.688 34.537 41.636 796 HA HIS 97 HA HIS 97 53.652 32.629 40.434 797 HB2 HIS 97 HB2 HIS 97 54.262 34.446 42.772 798 HB3 HIS 97 HB3 HIS 97 55.398 33.475 41.866 799 HD2 HIS 97 HD2 HIS 97 55.652 34.250 39.109 800 HE1 HIS 97 HE1 HIS 97 54.731 38.326 39.840 801 HE2 HIS 97 HE2 HIS 97 55.570 36.667 38.137 802 H ALA 98 H ALA 98 54.060 30.740 41.812 803 HA ALA 98 HA ALA 98 52.441 30.588 44.256 804 HB1 ALA 98 HB1 ALA 98 50.954 29.986 42.304 805 HB2 ALA 98 HB2 ALA 98 52.083 28.674 41.898 806 HB3 ALA 98 HB3 ALA 98 51.191 28.626 43.421 807 HA PRO 99 HA PRO 99 55.455 27.410 45.342 808 HB2 PRO 99 HB2 PRO 99 54.306 26.439 47.583 809 HB3 PRO 99 HB3 PRO 99 54.952 28.110 47.537 810 HG2 PRO 99 HG2 PRO 99 52.090 27.175 47.234 811 HG3 PRO 99 HG3 PRO 99 52.698 28.556 48.193 812 HD2 PRO 99 HD2 PRO 99 51.640 28.684 45.606 813 HD3 PRO 99 HD3 PRO 99 52.707 29.928 46.292 814 H GLN 100 H GLN 100 55.624 25.151 44.921 815 HA GLN 100 HA GLN 100 53.611 23.763 43.479 816 HB2 GLN 100 HB2 GLN 100 55.921 23.201 43.179 817 HB3 GLN 100 HB3 GLN 100 56.146 22.997 44.918 818 HG2 GLN 100 HG2 GLN 100 56.207 20.893 43.815 819 HG3 GLN 100 HG3 GLN 100 54.857 20.978 44.943 820 HE21 GLN 100 HE22 GLN 100 54.244 18.934 43.494 821 HE22 GLN 100 HE21 GLN 100 53.555 19.297 41.918 822 H ASP 101 H ASP 101 54.498 23.797 46.931 823 HA ASP 101 HA ASP 101 51.864 22.767 47.794 824 HB2 ASP 101 HB2 ASP 101 53.528 20.795 47.732 825 HB3 ASP 101 HB3 ASP 101 54.403 21.610 49.023 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 46.952 48.451 22.747 2 H2 GLY 1 H2 GLY 1 45.465 48.844 23.251 3 H3 GLY 1 H3 GLY 1 46.112 49.585 21.935 4 HA2 GLY 1 HA2 GLY 1 46.088 47.573 20.648 5 HA3 GLY 1 HA3 GLY 1 45.523 46.698 22.092 6 H SER 2 H SER 2 43.701 46.009 21.062 7 HA SER 2 HA SER 2 41.437 47.636 21.657 8 HB2 SER 2 HB2 SER 2 40.362 47.553 19.389 9 HB3 SER 2 HB3 SER 2 41.696 48.680 19.475 10 HG SER 2 HG SER 2 41.543 47.079 17.704 11 H GLU 3 H GLU 3 42.151 45.227 22.787 12 HA GLU 3 HA GLU 3 40.618 43.089 21.381 13 HB2 GLU 3 HB2 GLU 3 42.754 42.978 23.545 14 HB3 GLU 3 HB3 GLU 3 41.850 41.581 22.981 15 HG2 GLU 3 HG2 GLU 3 43.839 41.458 21.795 16 HG3 GLU 3 HG3 GLU 3 42.745 42.155 20.627 17 H PHE 4 H PHE 4 38.896 42.038 22.280 18 HA PHE 4 HA PHE 4 37.908 42.901 24.923 19 HB2 PHE 4 HB2 PHE 4 35.717 43.370 23.679 20 HB3 PHE 4 HB3 PHE 4 37.036 44.519 23.540 21 HD1 PHE 4 HD2 PHE 4 35.288 41.802 21.716 22 HD2 PHE 4 HD1 PHE 4 37.829 45.245 21.438 23 HE1 PHE 4 HE2 PHE 4 34.993 41.815 19.237 24 HE2 PHE 4 HE1 PHE 4 37.586 45.232 18.949 25 HZ PHE 4 HZ PHE 4 36.179 43.514 17.855 26 H GLU 5 H GLU 5 37.472 40.560 22.295 27 HA GLU 5 HA GLU 5 35.821 38.726 23.988 28 HB2 GLU 5 HB2 GLU 5 35.596 39.568 21.103 29 HB3 GLU 5 HB3 GLU 5 35.173 37.912 21.494 30 HG2 GLU 5 HG2 GLU 5 33.649 38.780 23.315 31 HG3 GLU 5 HG3 GLU 5 33.975 40.420 22.774 32 H LEU 6 H LEU 6 38.008 38.366 24.772 33 HA LEU 6 HA LEU 6 39.432 36.194 23.319 34 HB2 LEU 6 HB2 LEU 6 40.362 38.679 24.516 35 HB3 LEU 6 HB3 LEU 6 41.117 37.322 25.320 36 HG LEU 6 HG LEU 6 42.490 38.150 23.490 37 HD11 LEU 6 HD11 LEU 6 41.435 35.366 22.852 38 HD12 LEU 6 HD12 LEU 6 43.056 36.023 22.533 39 HD13 LEU 6 HD13 LEU 6 42.507 35.772 24.201 40 HD21 LEU 6 HD21 LEU 6 40.961 39.033 21.933 41 HD22 LEU 6 HD22 LEU 6 41.760 37.697 21.101 42 HD23 LEU 6 HD23 LEU 6 40.113 37.486 21.722 43 H ARG 7 H ARG 7 37.422 36.584 25.934 44 HA ARG 7 HA ARG 7 36.989 35.510 27.922 45 HB2 ARG 7 HB2 ARG 7 37.441 33.665 25.646 46 HB3 ARG 7 HB3 ARG 7 36.765 33.009 27.177 47 HG2 ARG 7 HG2 ARG 7 34.783 33.489 26.206 48 HG3 ARG 7 HG3 ARG 7 35.099 35.134 26.792 49 HD2 ARG 7 HD2 ARG 7 36.014 35.700 24.543 50 HD3 ARG 7 HD3 ARG 7 35.594 34.051 24.013 51 HE ARG 7 HE ARG 7 33.288 35.411 25.162 52 HH11 ARG 7 HH11 ARG 7 35.197 35.094 22.216 53 HH12 ARG 7 HH12 ARG 7 33.970 35.902 21.264 54 HH21 ARG 7 HH21 ARG 7 31.864 36.379 23.890 55 HH22 ARG 7 HH22 ARG 7 32.204 36.760 22.205 56 H ARG 8 H ARG 8 39.670 36.264 28.163 57 HA ARG 8 HA ARG 8 41.485 34.266 29.080 58 HB2 ARG 8 HB2 ARG 8 41.191 37.093 30.142 59 HB3 ARG 8 HB3 ARG 8 42.588 36.030 30.288 60 HG2 ARG 8 HG2 ARG 8 41.599 37.105 27.603 61 HG3 ARG 8 HG3 ARG 8 42.906 37.767 28.585 62 HD2 ARG 8 HD2 ARG 8 44.042 35.523 28.479 63 HD3 ARG 8 HD3 ARG 8 42.739 34.964 27.388 64 HE ARG 8 HE ARG 8 44.064 37.414 26.529 65 HH11 ARG 8 HH11 ARG 8 44.436 33.925 26.445 66 HH12 ARG 8 HH12 ARG 8 45.459 34.012 25.027 67 HH21 ARG 8 HH21 ARG 8 45.148 37.354 24.551 68 HH22 ARG 8 HH22 ARG 8 45.928 35.834 24.143 69 H GLN 9 H GLN 9 39.110 36.136 31.026 70 HA GLN 9 HA GLN 9 38.584 33.772 32.645 71 HB2 GLN 9 HB2 GLN 9 40.153 36.086 33.608 72 HB3 GLN 9 HB3 GLN 9 38.675 35.915 34.529 73 HG2 GLN 9 HG2 GLN 9 39.421 33.495 35.007 74 HG3 GLN 9 HG3 GLN 9 40.950 33.933 34.233 75 HE21 GLN 9 HE22 GLN 9 41.175 33.132 36.744 76 HE22 GLN 9 HE21 GLN 9 41.473 34.473 37.839 77 H GLN 10 H GLN 10 36.506 34.289 34.092 78 HA GLN 10 HA GLN 10 34.491 35.598 32.519 79 HB2 GLN 10 HB2 GLN 10 32.991 35.231 34.241 80 HB3 GLN 10 HB3 GLN 10 33.925 33.790 33.931 81 HG2 GLN 10 HG2 GLN 10 34.273 33.515 36.061 82 HG3 GLN 10 HG3 GLN 10 35.283 34.931 36.134 83 HE21 GLN 10 HE22 GLN 10 34.319 34.939 38.563 84 HE22 GLN 10 HE21 GLN 10 32.621 35.201 38.781 85 H ALA 11 H ALA 11 36.336 36.641 35.349 86 HA ALA 11 HA ALA 11 35.468 39.458 35.153 87 HB1 ALA 11 HB1 ALA 11 35.018 37.589 37.533 88 HB2 ALA 11 HB2 ALA 11 34.755 39.356 37.541 89 HB3 ALA 11 HB3 ALA 11 33.800 38.308 36.483 90 H LEU 12 H LEU 12 36.736 40.265 37.670 91 HA LEU 12 HA LEU 12 39.562 40.009 36.794 92 HB2 LEU 12 HB2 LEU 12 38.176 42.034 38.524 93 HB3 LEU 12 HB3 LEU 12 39.852 42.130 38.002 94 HG LEU 12 HG LEU 12 37.361 42.280 36.270 95 HD11 LEU 12 HD11 LEU 12 39.539 44.306 36.964 96 HD12 LEU 12 HD12 LEU 12 37.992 44.635 36.112 97 HD13 LEU 12 HD13 LEU 12 38.008 44.164 37.820 98 HD21 LEU 12 HD21 LEU 12 38.968 41.304 34.774 99 HD22 LEU 12 HD22 LEU 12 38.828 43.011 34.405 100 HD23 LEU 12 HD23 LEU 12 40.250 42.430 35.293 101 H ALA 13 H ALA 13 37.814 38.440 38.966 102 HA ALA 13 HA ALA 13 37.954 37.419 40.936 103 HB1 ALA 13 HB1 ALA 13 40.636 36.842 39.640 104 HB2 ALA 13 HB2 ALA 13 39.915 35.859 40.940 105 HB3 ALA 13 HB3 ALA 13 39.096 36.031 39.373 106 H GLU 14 H GLU 14 39.393 40.214 41.226 107 HA GLU 14 HA GLU 14 40.289 40.015 44.058 108 HB2 GLU 14 HB2 GLU 14 41.837 40.872 41.605 109 HB3 GLU 14 HB3 GLU 14 42.142 41.669 43.149 110 HG2 GLU 14 HG2 GLU 14 42.511 38.735 42.530 111 HG3 GLU 14 HG3 GLU 14 43.778 39.958 42.689 112 H ALA 15 H ALA 15 40.694 42.426 44.790 113 HA ALA 15 HA ALA 15 39.558 44.561 43.272 114 HB1 ALA 15 HB1 ALA 15 37.697 45.068 44.921 115 HB2 ALA 15 HB2 ALA 15 37.381 43.739 43.812 116 HB3 ALA 15 HB3 ALA 15 37.865 43.392 45.499 117 H ASP 16 H ASP 16 40.357 46.465 44.025 118 HA ASP 16 HA ASP 16 40.906 46.943 46.840 119 HB2 ASP 16 HB2 ASP 16 43.063 46.040 46.240 120 HB3 ASP 16 HB3 ASP 16 43.114 46.946 44.739 121 H ARG 17 H ARG 17 40.412 49.239 47.181 122 HA ARG 17 HA ARG 17 39.299 50.708 44.955 123 HB2 ARG 17 HB2 ARG 17 40.132 51.795 47.702 124 HB3 ARG 17 HB3 ARG 17 39.139 52.627 46.527 125 HG2 ARG 17 HG2 ARG 17 37.505 50.653 46.693 126 HG3 ARG 17 HG3 ARG 17 38.390 50.195 48.158 127 HD2 ARG 17 HD2 ARG 17 36.914 52.811 47.560 128 HD3 ARG 17 HD3 ARG 17 36.403 51.552 48.691 129 HE ARG 17 HE ARG 17 37.984 52.259 50.286 130 HH11 ARG 17 HH11 ARG 17 38.070 54.395 47.474 131 HH12 ARG 17 HH12 ARG 17 39.223 55.443 48.272 132 HH21 ARG 17 HH21 ARG 17 39.175 53.634 51.198 133 HH22 ARG 17 HH22 ARG 17 39.656 55.160 50.492 134 H THR 18 H THR 18 42.524 50.354 45.804 135 HA THR 18 HA THR 18 43.165 52.869 44.367 136 HB THR 18 HB THR 18 45.212 51.214 45.823 137 HG1 THR 18 HG1 THR 18 44.236 52.025 47.422 138 HG21 THR 18 HG21 THR 18 45.008 54.162 45.091 139 HG22 THR 18 HG22 THR 18 46.425 53.308 45.741 140 HG23 THR 18 HG23 THR 18 45.851 53.004 44.055 141 H LEU 19 H LEU 19 43.933 52.961 42.461 142 HA LEU 19 HA LEU 19 44.095 50.519 40.801 143 HB2 LEU 19 HB2 LEU 19 42.270 52.202 40.471 144 HB3 LEU 19 HB3 LEU 19 43.500 53.406 40.056 145 HG LEU 19 HG LEU 19 44.087 52.093 38.027 146 HD11 LEU 19 HD11 LEU 19 42.722 50.184 37.352 147 HD12 LEU 19 HD12 LEU 19 43.534 49.838 38.870 148 HD13 LEU 19 HD13 LEU 19 41.804 50.275 38.886 149 HD21 LEU 19 HD21 LEU 19 41.696 52.284 36.921 150 HD22 LEU 19 HD22 LEU 19 41.165 52.847 38.498 151 HD23 LEU 19 HD23 LEU 19 42.404 53.753 37.605 152 H PHE 20 H PHE 20 45.957 50.073 39.693 153 HA PHE 20 HA PHE 20 48.239 51.834 40.157 154 HB2 PHE 20 HB2 PHE 20 48.410 49.446 40.562 155 HB3 PHE 20 HB3 PHE 20 48.109 49.090 38.878 156 HD1 PHE 20 HD1 PHE 20 49.787 50.338 37.117 157 HD2 PHE 20 HD2 PHE 20 50.655 49.749 41.307 158 HE1 PHE 20 HE1 PHE 20 52.198 50.465 36.638 159 HE2 PHE 20 HE2 PHE 20 53.063 50.083 40.828 160 HZ PHE 20 HZ PHE 20 53.838 50.441 38.499 161 H VAL 21 H VAL 21 49.426 52.872 38.767 162 HA VAL 21 HA VAL 21 48.498 53.072 35.953 163 HB VAL 21 HB VAL 21 48.930 55.533 37.714 164 HG11 VAL 21 HG11 VAL 21 47.541 55.390 35.048 165 HG12 VAL 21 HG12 VAL 21 48.438 56.739 35.808 166 HG13 VAL 21 HG13 VAL 21 49.302 55.383 35.059 167 HG21 VAL 21 HG21 VAL 21 46.826 54.576 38.454 168 HG22 VAL 21 HG22 VAL 21 46.469 55.890 37.330 169 HG23 VAL 21 HG23 VAL 21 46.349 54.197 36.795 170 H GLY 22 H GLY 22 50.191 52.816 34.639 171 HA2 GLY 22 HA2 GLY 22 52.944 53.615 35.513 172 HA3 GLY 22 HA3 GLY 22 52.666 52.161 34.644 173 H ASN 23 H ASN 23 54.304 53.423 33.327 174 HA ASN 23 HA ASN 23 54.994 54.484 31.439 175 HB2 ASN 23 HB2 ASN 23 52.821 53.148 30.702 176 HB3 ASN 23 HB3 ASN 23 52.194 54.790 30.450 177 HD21 ASN 23 HD21 ASN 23 52.092 54.703 28.217 178 HD22 ASN 23 HD22 ASN 23 53.496 54.574 27.184 179 H LEU 24 H LEU 24 54.189 56.017 33.793 180 HA LEU 24 HA LEU 24 52.946 58.542 33.144 181 HB2 LEU 24 HB2 LEU 24 54.920 57.704 35.283 182 HB3 LEU 24 HB3 LEU 24 54.250 59.313 35.103 183 HG LEU 24 HG LEU 24 53.369 57.586 36.884 184 HD11 LEU 24 HD11 LEU 24 51.575 59.391 35.286 185 HD12 LEU 24 HD12 LEU 24 50.947 58.407 36.620 186 HD13 LEU 24 HD13 LEU 24 52.220 59.564 36.960 187 HD21 LEU 24 HD21 LEU 24 52.864 55.828 35.113 188 HD22 LEU 24 HD22 LEU 24 51.516 56.169 36.218 189 HD23 LEU 24 HD23 LEU 24 51.513 56.837 34.573 190 H GLU 25 H GLU 25 53.827 60.377 32.444 191 HA GLU 25 HA GLU 25 56.320 60.328 31.166 192 HB2 GLU 25 HB2 GLU 25 54.232 62.229 31.489 193 HB3 GLU 25 HB3 GLU 25 55.648 63.098 32.005 194 HG2 GLU 25 HG2 GLU 25 55.795 61.495 29.441 195 HG3 GLU 25 HG3 GLU 25 54.899 62.984 29.386 196 H THR 26 H THR 26 58.101 62.030 31.516 197 HA THR 26 HA THR 26 59.559 60.909 33.702 198 HB THR 26 HB THR 26 61.351 62.344 32.968 199 HG1 THR 26 HG1 THR 26 59.428 63.531 31.293 200 HG21 THR 26 HG21 THR 26 60.874 60.388 31.473 201 HG22 THR 26 HG22 THR 26 59.750 61.362 30.511 202 HG23 THR 26 HG23 THR 26 61.448 61.787 30.512 203 H LYS 27 H LYS 27 57.705 63.676 33.265 204 HA LYS 27 HA LYS 27 58.620 65.391 35.538 205 HB2 LYS 27 HB2 LYS 27 59.130 66.124 33.247 206 HB3 LYS 27 HB3 LYS 27 57.420 66.087 32.838 207 HG2 LYS 27 HG2 LYS 27 58.245 68.352 33.232 208 HG3 LYS 27 HG3 LYS 27 56.979 67.953 34.381 209 HD2 LYS 27 HD2 LYS 27 58.726 69.169 35.464 210 HD3 LYS 27 HD3 LYS 27 58.772 67.525 36.108 211 HE2 LYS 27 HE2 LYS 27 60.674 66.968 34.615 212 HE3 LYS 27 HE3 LYS 27 60.543 68.559 33.841 213 HZ1 LYS 27 HZ1 LYS 27 62.178 68.765 35.465 214 HZ2 LYS 27 HZ2 LYS 27 60.892 69.460 36.127 215 HZ3 LYS 27 HZ3 LYS 27 61.293 67.959 36.613 216 H VAL 28 H VAL 28 56.291 63.180 34.998 217 HA VAL 28 HA VAL 28 53.763 64.370 35.127 218 HB VAL 28 HB VAL 28 54.261 61.987 34.682 219 HG11 VAL 28 HG11 VAL 28 54.248 60.489 36.847 220 HG12 VAL 28 HG12 VAL 28 55.743 61.243 36.262 221 HG13 VAL 28 HG13 VAL 28 54.858 61.928 37.645 222 HG21 VAL 28 HG21 VAL 28 52.140 61.459 35.099 223 HG22 VAL 28 HG22 VAL 28 52.236 61.861 36.843 224 HG23 VAL 28 HG23 VAL 28 51.975 63.124 35.636 225 H THR 29 H THR 29 52.223 64.424 36.987 226 HA THR 29 HA THR 29 53.228 64.773 39.706 227 HB THR 29 HB THR 29 52.187 67.070 39.922 228 HG1 THR 29 HG1 THR 29 52.142 68.298 38.205 229 HG21 THR 29 HG21 THR 29 54.658 66.482 39.962 230 HG22 THR 29 HG22 THR 29 54.775 67.141 38.338 231 HG23 THR 29 HG23 THR 29 54.224 68.178 39.684 232 H GLU 30 H GLU 30 51.519 65.071 41.231 233 HA GLU 30 HA GLU 30 49.217 63.527 40.696 234 HB2 GLU 30 HB2 GLU 30 49.378 65.529 42.979 235 HB3 GLU 30 HB3 GLU 30 48.487 64.006 42.896 236 HG2 GLU 30 HG2 GLU 30 50.656 62.793 42.635 237 HG3 GLU 30 HG3 GLU 30 51.499 64.296 42.990 238 H GLU 31 H GLU 31 49.807 67.027 40.289 239 HA GLU 31 HA GLU 31 47.053 67.770 39.919 240 HB2 GLU 31 HB2 GLU 31 49.594 68.942 38.703 241 HB3 GLU 31 HB3 GLU 31 47.990 69.678 38.653 242 HG2 GLU 31 HG2 GLU 31 48.031 69.764 41.167 243 HG3 GLU 31 HG3 GLU 31 49.751 69.362 41.092 244 H LEU 32 H LEU 32 49.578 66.651 37.599 245 HA LEU 32 HA LEU 32 47.935 67.015 35.282 246 HB2 LEU 32 HB2 LEU 32 50.349 66.862 35.022 247 HB3 LEU 32 HB3 LEU 32 50.367 65.247 35.693 248 HG LEU 32 HG LEU 32 49.048 64.456 33.659 249 HD11 LEU 32 HD11 LEU 32 48.092 66.577 32.796 250 HD12 LEU 32 HD12 LEU 32 49.740 67.174 32.449 251 HD13 LEU 32 HD13 LEU 32 49.096 65.789 31.590 252 HD21 LEU 32 HD21 LEU 32 51.127 64.906 32.077 253 HD22 LEU 32 HD22 LEU 32 51.840 65.522 33.570 254 HD23 LEU 32 HD23 LEU 32 51.227 63.846 33.482 255 H LEU 33 H LEU 33 48.607 64.182 37.350 256 HA LEU 33 HA LEU 33 46.884 62.247 36.165 257 HB2 LEU 33 HB2 LEU 33 47.784 62.804 38.986 258 HB3 LEU 33 HB3 LEU 33 46.930 61.314 38.584 259 HG LEU 33 HG LEU 33 49.675 62.135 37.562 260 HD11 LEU 33 HD11 LEU 33 48.985 59.881 39.494 261 HD12 LEU 33 HD12 LEU 33 50.584 60.324 38.886 262 HD13 LEU 33 HD13 LEU 33 49.698 61.446 39.934 263 HD21 LEU 33 HD21 LEU 33 48.133 60.549 36.048 264 HD22 LEU 33 HD22 LEU 33 49.874 60.463 36.224 265 HD23 LEU 33 HD23 LEU 33 48.832 59.332 37.143 266 H PHE 34 H PHE 34 46.088 64.571 38.861 267 HA PHE 34 HA PHE 34 43.415 63.706 39.253 268 HB2 PHE 34 HB2 PHE 34 44.901 64.977 40.699 269 HB3 PHE 34 HB3 PHE 34 44.639 66.406 39.732 270 HD1 PHE 34 HD2 PHE 34 43.082 63.948 42.113 271 HD2 PHE 34 HD1 PHE 34 42.329 67.525 39.812 272 HE1 PHE 34 HE2 PHE 34 41.062 64.411 43.471 273 HE2 PHE 34 HE1 PHE 34 40.195 67.838 41.067 274 HZ PHE 34 HZ PHE 34 39.712 66.445 43.043 275 H GLU 35 H GLU 35 44.685 66.238 36.938 276 HA GLU 35 HA GLU 35 41.993 66.944 36.136 277 HB2 GLU 35 HB2 GLU 35 42.874 68.292 34.440 278 HB3 GLU 35 HB3 GLU 35 43.976 68.461 35.816 279 HG2 GLU 35 HG2 GLU 35 45.649 67.194 34.786 280 HG3 GLU 35 HG3 GLU 35 44.553 66.564 33.530 281 H LEU 36 H LEU 36 44.226 64.480 35.010 282 HA LEU 36 HA LEU 36 42.719 63.680 32.686 283 HB2 LEU 36 HB2 LEU 36 45.077 63.485 32.909 284 HB3 LEU 36 HB3 LEU 36 44.967 62.551 34.381 285 HG LEU 36 HG LEU 36 43.681 61.382 31.910 286 HD11 LEU 36 HD11 LEU 36 46.667 61.528 32.422 287 HD12 LEU 36 HD12 LEU 36 45.861 60.401 31.289 288 HD13 LEU 36 HD13 LEU 36 45.786 62.151 31.002 289 HD21 LEU 36 HD21 LEU 36 43.634 60.131 34.054 290 HD22 LEU 36 HD22 LEU 36 44.729 59.321 32.921 291 HD23 LEU 36 HD23 LEU 36 45.393 60.326 34.224 292 H PHE 37 H PHE 37 42.897 62.358 36.054 293 HA PHE 37 HA PHE 37 41.091 60.245 35.286 294 HB2 PHE 37 HB2 PHE 37 42.432 60.989 37.916 295 HB3 PHE 37 HB3 PHE 37 41.377 59.588 37.739 296 HD1 PHE 37 HD2 PHE 37 41.775 57.974 35.855 297 HD2 PHE 37 HD1 PHE 37 44.878 60.402 37.589 298 HE1 PHE 37 HE2 PHE 37 43.516 56.516 34.804 299 HE2 PHE 37 HE1 PHE 37 46.596 58.901 36.581 300 HZ PHE 37 HZ PHE 37 45.903 56.959 35.216 301 H HIS 38 H HIS 38 40.532 63.355 36.708 302 HA HIS 38 HA HIS 38 38.088 63.065 38.006 303 HB2 HIS 38 HB2 HIS 38 39.457 65.169 37.526 304 HB3 HIS 38 HB3 HIS 38 38.841 65.083 35.858 305 HD2 HIS 38 HD2 HIS 38 36.551 66.273 35.469 306 HE1 HIS 38 HE1 HIS 38 34.988 66.084 39.418 307 HE2 HIS 38 HE2 HIS 38 34.547 66.866 37.052 308 H GLN 39 H GLN 39 38.712 62.785 34.526 309 HA GLN 39 HA GLN 39 35.893 62.721 33.708 310 HB2 GLN 39 HB2 GLN 39 38.425 61.983 32.252 311 HB3 GLN 39 HB3 GLN 39 36.812 61.863 31.579 312 HG2 GLN 39 HG2 GLN 39 37.887 63.828 30.718 313 HG3 GLN 39 HG3 GLN 39 36.458 64.283 31.608 314 HE21 GLN 39 HE22 GLN 39 39.981 64.358 31.505 315 HE22 GLN 39 HE21 GLN 39 40.175 65.462 32.844 316 H ALA 40 H ALA 40 38.060 60.420 35.162 317 HA ALA 40 HA ALA 40 36.488 58.079 34.238 318 HB1 ALA 40 HB1 ALA 40 38.260 56.684 35.156 319 HB2 ALA 40 HB2 ALA 40 38.856 57.773 33.909 320 HB3 ALA 40 HB3 ALA 40 39.195 58.122 35.621 321 H GLY 41 H GLY 41 36.024 60.212 36.328 322 HA2 GLY 41 HA2 GLY 41 33.942 60.086 37.581 323 HA3 GLY 41 HA3 GLY 41 34.350 58.438 38.058 324 HA PRO 42 HA PRO 42 34.892 61.192 41.731 325 HB2 PRO 42 HB2 PRO 42 34.079 58.506 42.864 326 HB3 PRO 42 HB3 PRO 42 33.616 60.113 43.465 327 HG2 PRO 42 HG2 PRO 42 31.902 58.603 41.987 328 HG3 PRO 42 HG3 PRO 42 31.972 60.353 41.713 329 HD2 PRO 42 HD2 PRO 42 33.174 58.148 40.053 330 HD3 PRO 42 HD3 PRO 42 32.522 59.719 39.546 331 H VAL 43 H VAL 43 37.052 61.422 41.715 332 HA VAL 43 HA VAL 43 38.925 59.195 42.397 333 HB VAL 43 HB VAL 43 39.278 61.944 41.160 334 HG11 VAL 43 HG11 VAL 43 41.392 60.153 42.358 335 HG12 VAL 43 HG12 VAL 43 41.717 61.416 41.131 336 HG13 VAL 43 HG13 VAL 43 41.069 61.879 42.705 337 HG21 VAL 43 HG21 VAL 43 38.778 59.923 39.682 338 HG22 VAL 43 HG22 VAL 43 40.350 60.703 39.402 339 HG23 VAL 43 HG23 VAL 43 40.238 59.174 40.334 340 H ILE 44 H ILE 44 39.146 58.974 44.507 341 HA ILE 44 HA ILE 44 38.470 61.012 46.441 342 HB ILE 44 HB ILE 44 40.078 58.450 46.606 343 HG12 ILE 44 HG12 ILE 44 37.701 58.075 45.986 344 HG13 ILE 44 HG13 ILE 44 38.114 57.364 47.532 345 HG21 ILE 44 HG21 ILE 44 39.147 60.186 48.938 346 HG22 ILE 44 HG22 ILE 44 39.483 58.475 49.114 347 HG23 ILE 44 HG23 ILE 44 40.776 59.561 48.611 348 HD11 ILE 44 HD11 ILE 44 35.926 58.490 47.631 349 HD12 ILE 44 HD12 ILE 44 37.086 59.284 48.718 350 HD13 ILE 44 HD13 ILE 44 36.689 60.036 47.166 351 H LYS 45 H LYS 45 41.612 59.663 45.397 352 HA LYS 45 HA LYS 45 43.129 62.110 45.833 353 HB2 LYS 45 HB2 LYS 45 44.406 61.332 47.695 354 HB3 LYS 45 HB3 LYS 45 42.691 61.175 48.118 355 HG2 LYS 45 HG2 LYS 45 42.678 58.816 47.668 356 HG3 LYS 45 HG3 LYS 45 44.418 58.812 47.319 357 HD2 LYS 45 HD2 LYS 45 44.878 59.493 49.662 358 HD3 LYS 45 HD3 LYS 45 43.120 59.592 49.966 359 HE2 LYS 45 HE2 LYS 45 42.756 57.379 49.403 360 HE3 LYS 45 HE3 LYS 45 44.415 57.066 48.882 361 HZ1 LYS 45 HZ1 LYS 45 43.632 57.680 51.663 362 HZ2 LYS 45 HZ2 LYS 45 44.036 56.225 51.115 363 HZ3 LYS 45 HZ3 LYS 45 45.165 57.405 51.186 364 H VAL 46 H VAL 46 45.257 61.887 45.149 365 HA VAL 46 HA VAL 46 46.006 59.545 43.460 366 HB VAL 46 HB VAL 46 46.774 62.493 43.189 367 HG11 VAL 46 HG11 VAL 46 47.538 60.151 41.422 368 HG12 VAL 46 HG12 VAL 46 47.706 61.852 40.950 369 HG13 VAL 46 HG13 VAL 46 48.614 61.261 42.327 370 HG21 VAL 46 HG21 VAL 46 44.477 62.238 42.364 371 HG22 VAL 46 HG22 VAL 46 45.583 62.496 41.024 372 HG23 VAL 46 HG23 VAL 46 44.974 60.864 41.334 373 H LYS 47 H LYS 47 48.159 58.868 43.453 374 HA LYS 47 HA LYS 47 50.098 60.077 45.353 375 HB2 LYS 47 HB2 LYS 47 49.536 58.143 46.519 376 HB3 LYS 47 HB3 LYS 47 49.177 57.212 45.069 377 HG2 LYS 47 HG2 LYS 47 51.042 56.274 46.114 378 HG3 LYS 47 HG3 LYS 47 51.578 56.986 44.596 379 HD2 LYS 47 HD2 LYS 47 52.405 59.025 45.940 380 HD3 LYS 47 HD3 LYS 47 51.953 58.160 47.410 381 HE2 LYS 47 HE2 LYS 47 53.630 56.831 45.288 382 HE3 LYS 47 HE3 LYS 47 54.396 58.007 46.369 383 HZ1 LYS 47 HZ1 LYS 47 53.525 56.631 48.229 384 HZ2 LYS 47 HZ2 LYS 47 53.111 55.464 47.122 385 HZ3 LYS 47 HZ3 LYS 47 54.660 55.946 47.333 386 H ILE 48 H ILE 48 51.796 60.794 44.498 387 HA ILE 48 HA ILE 48 52.991 59.563 42.074 388 HB ILE 48 HB ILE 48 53.006 62.355 43.171 389 HG12 ILE 48 HG12 ILE 48 51.559 61.329 41.236 390 HG13 ILE 48 HG13 ILE 48 52.378 62.873 40.937 391 HG21 ILE 48 HG21 ILE 48 55.215 61.068 41.620 392 HG22 ILE 48 HG22 ILE 48 54.875 62.834 41.513 393 HG23 ILE 48 HG23 ILE 48 55.376 62.114 43.047 394 HD11 ILE 48 HD11 ILE 48 53.501 60.193 40.059 395 HD12 ILE 48 HD12 ILE 48 52.495 61.266 39.038 396 HD13 ILE 48 HD13 ILE 48 54.073 61.819 39.623 397 HA PRO 49 HA PRO 49 56.135 58.063 45.084 398 HB2 PRO 49 HB2 PRO 49 57.494 56.514 43.286 399 HB3 PRO 49 HB3 PRO 49 56.007 55.976 44.120 400 HG2 PRO 49 HG2 PRO 49 56.272 57.166 41.356 401 HG3 PRO 49 HG3 PRO 49 55.340 55.702 41.848 402 HD2 PRO 49 HD2 PRO 49 54.176 58.101 41.472 403 HD3 PRO 49 HD3 PRO 49 53.615 57.055 42.797 404 H LYS 50 H LYS 50 58.489 58.366 45.021 405 HA LYS 50 HA LYS 50 59.740 59.833 42.945 406 HB2 LYS 50 HB2 LYS 50 59.209 61.287 45.559 407 HB3 LYS 50 HB3 LYS 50 60.606 61.652 44.562 408 HG2 LYS 50 HG2 LYS 50 58.736 61.735 42.606 409 HG3 LYS 50 HG3 LYS 50 57.714 62.200 43.960 410 HD2 LYS 50 HD2 LYS 50 59.128 64.095 44.452 411 HD3 LYS 50 HD3 LYS 50 60.380 63.553 43.349 412 HE2 LYS 50 HE2 LYS 50 58.843 63.690 41.408 413 HE3 LYS 50 HE3 LYS 50 57.546 64.288 42.432 414 HZ1 LYS 50 HZ1 LYS 50 59.078 66.238 42.878 415 HZ2 LYS 50 HZ2 LYS 50 60.068 65.642 41.760 416 HZ3 LYS 50 HZ3 LYS 50 58.576 66.100 41.318 417 H ASP 51 H ASP 51 61.420 58.639 42.797 418 HA ASP 51 HA ASP 51 62.874 57.004 44.631 419 HB2 ASP 51 HB2 ASP 51 62.969 57.496 41.871 420 HB3 ASP 51 HB3 ASP 51 64.488 58.139 42.444 421 H LYS 52 H LYS 52 65.297 57.257 44.960 422 HA LYS 52 HA LYS 52 65.905 59.253 46.867 423 HB2 LYS 52 HB2 LYS 52 68.210 58.585 46.646 424 HB3 LYS 52 HB3 LYS 52 67.160 57.195 46.737 425 HG2 LYS 52 HG2 LYS 52 68.216 56.373 44.902 426 HG3 LYS 52 HG3 LYS 52 67.399 57.607 43.968 427 HD2 LYS 52 HD2 LYS 52 69.338 58.959 43.828 428 HD3 LYS 52 HD3 LYS 52 69.961 58.385 45.365 429 HE2 LYS 52 HE2 LYS 52 71.428 57.671 43.724 430 HE3 LYS 52 HE3 LYS 52 70.576 56.218 44.333 431 HZ1 LYS 52 HZ1 LYS 52 69.931 57.624 41.817 432 HZ2 LYS 52 HZ2 LYS 52 70.902 56.333 41.895 433 HZ3 LYS 52 HZ3 LYS 52 69.370 56.159 42.306 434 H ASP 53 H ASP 53 66.178 59.464 43.361 435 HA ASP 53 HA ASP 53 67.591 62.038 43.579 436 HB2 ASP 53 HB2 ASP 53 68.222 60.331 41.944 437 HB3 ASP 53 HB3 ASP 53 66.651 60.508 41.147 438 H GLY 54 H GLY 54 64.363 61.099 43.656 439 HA2 GLY 54 HA2 GLY 54 62.470 62.498 43.866 440 HA3 GLY 54 HA3 GLY 54 63.319 63.795 43.026 441 H LYS 55 H LYS 55 62.136 60.420 42.283 442 HA LYS 55 HA LYS 55 61.005 61.511 39.756 443 HB2 LYS 55 HB2 LYS 55 63.314 60.759 39.430 444 HB3 LYS 55 HB3 LYS 55 62.847 59.118 39.974 445 HG2 LYS 55 HG2 LYS 55 62.757 58.920 37.591 446 HG3 LYS 55 HG3 LYS 55 61.110 59.174 38.047 447 HD2 LYS 55 HD2 LYS 55 61.379 60.698 36.280 448 HD3 LYS 55 HD3 LYS 55 61.621 61.753 37.687 449 HE2 LYS 55 HE2 LYS 55 64.061 61.529 37.434 450 HE3 LYS 55 HE3 LYS 55 63.795 60.408 36.096 451 HZ1 LYS 55 HZ1 LYS 55 62.569 63.116 36.016 452 HZ2 LYS 55 HZ2 LYS 55 64.113 62.905 35.542 453 HZ3 LYS 55 HZ3 LYS 55 62.966 62.131 34.780 454 HA PRO 56 HA PRO 56 57.828 58.614 40.977 455 HB2 PRO 56 HB2 PRO 56 56.184 58.776 38.762 456 HB3 PRO 56 HB3 PRO 56 56.311 60.114 39.973 457 HG2 PRO 56 HG2 PRO 56 57.752 59.759 37.365 458 HG3 PRO 56 HG3 PRO 56 56.921 61.257 37.989 459 HD2 PRO 56 HD2 PRO 56 59.628 60.971 38.218 460 HD3 PRO 56 HD3 PRO 56 58.672 61.719 39.511 461 H LYS 57 H LYS 57 60.209 57.755 38.976 462 HA LYS 57 HA LYS 57 60.850 55.762 37.918 463 HB2 LYS 57 HB2 LYS 57 58.697 54.520 39.647 464 HB3 LYS 57 HB3 LYS 57 60.039 53.700 38.889 465 HG2 LYS 57 HG2 LYS 57 61.059 54.006 40.888 466 HG3 LYS 57 HG3 LYS 57 61.405 55.628 40.338 467 HD2 LYS 57 HD2 LYS 57 59.494 56.587 41.506 468 HD3 LYS 57 HD3 LYS 57 58.777 55.035 41.797 469 HE2 LYS 57 HE2 LYS 57 61.516 55.844 42.859 470 HE3 LYS 57 HE3 LYS 57 60.011 56.109 43.753 471 HZ1 LYS 57 HZ1 LYS 57 61.009 53.448 42.859 472 HZ2 LYS 57 HZ2 LYS 57 61.111 54.030 44.362 473 HZ3 LYS 57 HZ3 LYS 57 59.655 53.738 43.748 474 H GLN 58 H GLN 58 58.611 57.285 36.671 475 HA GLN 58 HA GLN 58 56.965 57.216 35.180 476 HB2 GLN 58 HB2 GLN 58 58.619 54.824 34.265 477 HB3 GLN 58 HB3 GLN 58 57.175 55.323 33.465 478 HG2 GLN 58 HG2 GLN 58 58.518 57.754 33.545 479 HG3 GLN 58 HG3 GLN 58 59.896 56.672 33.770 480 HE21 GLN 58 HE22 GLN 58 57.365 57.770 31.761 481 HE22 GLN 58 HE21 GLN 58 57.533 56.719 30.369 482 H PHE 59 H PHE 59 56.074 56.179 37.689 483 HA PHE 59 HA PHE 59 53.579 54.944 36.781 484 HB2 PHE 59 HB2 PHE 59 53.571 53.016 37.835 485 HB3 PHE 59 HB3 PHE 59 55.240 53.104 37.374 486 HD1 PHE 59 HD2 PHE 59 56.984 53.419 39.163 487 HD2 PHE 59 HD1 PHE 59 52.806 53.119 40.127 488 HE1 PHE 59 HE2 PHE 59 57.549 53.155 41.595 489 HE2 PHE 59 HE1 PHE 59 53.388 52.557 42.473 490 HZ PHE 59 HZ PHE 59 55.752 52.571 43.202 491 H ALA 60 H ALA 60 51.940 54.945 38.690 492 HA ALA 60 HA ALA 60 52.283 56.575 41.064 493 HB1 ALA 60 HB1 ALA 60 50.718 57.661 38.673 494 HB2 ALA 60 HB2 ALA 60 50.750 58.423 40.268 495 HB3 ALA 60 HB3 ALA 60 52.243 58.303 39.347 496 H PHE 61 H PHE 61 49.964 56.882 42.129 497 HA PHE 61 HA PHE 61 48.180 54.617 41.404 498 HB2 PHE 61 HB2 PHE 61 49.426 55.145 44.122 499 HB3 PHE 61 HB3 PHE 61 47.787 54.594 44.026 500 HD1 PHE 61 HD1 PHE 61 47.242 52.432 42.822 501 HD2 PHE 61 HD2 PHE 61 51.273 53.479 43.924 502 HE1 PHE 61 HE1 PHE 61 47.813 50.025 43.032 503 HE2 PHE 61 HE2 PHE 61 51.856 51.069 44.024 504 HZ PHE 61 HZ PHE 61 50.104 49.344 43.656 505 H VAL 62 H VAL 62 46.030 54.859 41.755 506 HA VAL 62 HA VAL 62 45.022 57.582 42.488 507 HB VAL 62 HB VAL 62 43.999 55.953 40.128 508 HG11 VAL 62 HG11 VAL 62 43.484 58.812 40.978 509 HG12 VAL 62 HG12 VAL 62 42.849 57.974 39.540 510 HG13 VAL 62 HG13 VAL 62 42.350 57.437 41.152 511 HG21 VAL 62 HG21 VAL 62 46.138 56.740 39.375 512 HG22 VAL 62 HG22 VAL 62 45.009 58.012 38.864 513 HG23 VAL 62 HG23 VAL 62 46.009 58.239 40.310 514 H ASN 63 H ASN 63 43.147 57.581 43.716 515 HA ASN 63 HA ASN 63 42.197 54.940 44.733 516 HB2 ASN 63 HB2 ASN 63 43.455 56.599 46.310 517 HB3 ASN 63 HB3 ASN 63 42.054 57.629 46.095 518 HD21 ASN 63 HD22 ASN 63 42.974 54.287 47.318 519 HD22 ASN 63 HD21 ASN 63 41.539 54.150 48.284 520 H PHE 64 H PHE 64 39.956 54.544 44.604 521 HA PHE 64 HA PHE 64 38.162 56.637 43.432 522 HB2 PHE 64 HB2 PHE 64 38.539 53.693 42.893 523 HB3 PHE 64 HB3 PHE 64 37.047 54.480 42.472 524 HD1 PHE 64 HD2 PHE 64 37.061 56.379 40.758 525 HD2 PHE 64 HD1 PHE 64 40.633 54.176 41.701 526 HE1 PHE 64 HE2 PHE 64 38.145 57.260 38.707 527 HE2 PHE 64 HE1 PHE 64 41.779 55.232 39.731 528 HZ PHE 64 HZ PHE 64 40.531 56.753 38.248 529 H LYS 65 H LYS 65 36.182 57.000 44.393 530 HA LYS 65 HA LYS 65 35.426 56.040 46.935 531 HB2 LYS 65 HB2 LYS 65 34.482 58.006 45.496 532 HB3 LYS 65 HB3 LYS 65 33.420 56.790 44.778 533 HG2 LYS 65 HG2 LYS 65 32.503 56.363 47.134 534 HG3 LYS 65 HG3 LYS 65 33.425 57.784 47.651 535 HD2 LYS 65 HD2 LYS 65 32.072 58.990 45.708 536 HD3 LYS 65 HD3 LYS 65 31.058 57.532 45.812 537 HE2 LYS 65 HE2 LYS 65 31.101 57.995 48.387 538 HE3 LYS 65 HE3 LYS 65 31.597 59.623 47.947 539 HZ1 LYS 65 HZ1 LYS 65 29.538 59.795 46.621 540 HZ2 LYS 65 HZ2 LYS 65 29.128 58.278 47.037 541 HZ3 LYS 65 HZ3 LYS 65 29.167 59.366 48.183 542 H HIS 66 H HIS 66 34.040 54.447 47.705 543 HA HIS 66 HA HIS 66 34.192 51.857 46.630 544 HB2 HIS 66 HB2 HIS 66 33.937 52.758 48.998 545 HB3 HIS 66 HB3 HIS 66 32.214 52.913 48.669 546 HD2 HIS 66 HD2 HIS 66 31.600 51.242 50.518 547 HE1 HIS 66 HE1 HIS 66 33.533 47.775 48.996 548 HE2 HIS 66 HE2 HIS 66 31.748 48.611 50.598 549 H GLU 67 H GLU 67 31.668 54.292 46.034 550 HA GLU 67 HA GLU 67 29.600 52.381 45.194 551 HB2 GLU 67 HB2 GLU 67 29.780 55.345 44.570 552 HB3 GLU 67 HB3 GLU 67 28.360 54.300 44.452 553 HG2 GLU 67 HG2 GLU 67 28.476 53.915 46.908 554 HG3 GLU 67 HG3 GLU 67 29.739 55.171 46.982 555 H VAL 68 H VAL 68 32.230 53.885 43.662 556 HA VAL 68 HA VAL 68 31.413 53.021 40.929 557 HB VAL 68 HB VAL 68 32.619 54.745 39.949 558 HG11 VAL 68 HG11 VAL 68 30.995 55.938 42.231 559 HG12 VAL 68 HG12 VAL 68 31.368 56.741 40.692 560 HG13 VAL 68 HG13 VAL 68 30.357 55.294 40.705 561 HG21 VAL 68 HG21 VAL 68 34.520 54.916 41.754 562 HG22 VAL 68 HG22 VAL 68 34.059 56.329 40.844 563 HG23 VAL 68 HG23 VAL 68 33.481 56.135 42.510 564 H SER 69 H SER 69 32.798 51.346 42.976 565 HA SER 69 HA SER 69 35.530 51.302 42.072 566 HB2 SER 69 HB2 SER 69 34.710 50.696 44.350 567 HB3 SER 69 HB3 SER 69 34.270 49.111 43.640 568 HG SER 69 HG SER 69 36.387 49.151 44.276 569 H VAL 70 H VAL 70 35.123 51.221 39.925 570 HA VAL 70 HA VAL 70 35.932 48.541 39.050 571 HB VAL 70 HB VAL 70 34.846 49.085 36.772 572 HG11 VAL 70 HG11 VAL 70 32.685 48.134 37.277 573 HG12 VAL 70 HG12 VAL 70 33.882 47.288 38.256 574 HG13 VAL 70 HG13 VAL 70 32.861 48.533 39.003 575 HG21 VAL 70 HG21 VAL 70 34.255 51.521 37.545 576 HG22 VAL 70 HG22 VAL 70 32.969 50.622 36.692 577 HG23 VAL 70 HG23 VAL 70 32.932 50.791 38.444 578 HA PRO 71 HA PRO 71 39.252 50.918 37.458 579 HB2 PRO 71 HB2 PRO 71 40.536 49.206 35.823 580 HB3 PRO 71 HB3 PRO 71 40.283 48.851 37.556 581 HG2 PRO 71 HG2 PRO 71 38.505 47.910 35.268 582 HG3 PRO 71 HG3 PRO 71 39.336 46.893 36.497 583 HD2 PRO 71 HD2 PRO 71 36.781 47.700 36.866 584 HD3 PRO 71 HD3 PRO 71 37.933 47.630 38.206 585 H TYR 72 H TYR 72 37.052 52.047 36.368 586 HA TYR 72 HA TYR 72 36.540 52.007 33.681 587 HB2 TYR 72 HB2 TYR 72 35.371 53.369 35.519 588 HB3 TYR 72 HB3 TYR 72 36.559 54.640 35.274 589 HD1 TYR 72 HD2 TYR 72 35.095 52.616 32.463 590 HD2 TYR 72 HD1 TYR 72 35.161 56.378 34.627 591 HE1 TYR 72 HE2 TYR 72 33.750 53.676 30.700 592 HE2 TYR 72 HE1 TYR 72 33.739 57.394 32.871 593 HH TYR 72 HH TYR 72 32.580 56.882 30.783 594 H ALA 73 H ALA 73 39.124 54.053 35.130 595 HA ALA 73 HA ALA 73 39.751 55.428 32.790 596 HB1 ALA 73 HB1 ALA 73 41.698 54.737 35.024 597 HB2 ALA 73 HB2 ALA 73 41.809 56.015 33.779 598 HB3 ALA 73 HB3 ALA 73 40.538 56.074 35.021 599 H MET 74 H MET 74 40.489 52.089 33.465 600 HA MET 74 HA MET 74 42.736 51.769 31.634 601 HB2 MET 74 HB2 MET 74 42.137 50.314 33.660 602 HB3 MET 74 HB3 MET 74 40.879 49.580 32.670 603 HG2 MET 74 HG2 MET 74 42.446 48.668 31.138 604 HG3 MET 74 HG3 MET 74 43.755 49.662 31.748 605 HE1 MET 74 HE1 MET 74 41.241 46.641 33.033 606 HE2 MET 74 HE2 MET 74 42.046 46.379 34.592 607 HE3 MET 74 HE3 MET 74 41.189 47.899 34.280 608 H ASN 75 H ASN 75 39.248 51.782 31.369 609 HA ASN 75 HA ASN 75 39.257 50.843 28.571 610 HB2 ASN 75 HB2 ASN 75 37.300 50.237 29.951 611 HB3 ASN 75 HB3 ASN 75 37.140 51.890 30.506 612 HD21 ASN 75 HD22 ASN 75 35.208 52.330 29.916 613 HD22 ASN 75 HD21 ASN 75 34.687 52.494 28.231 614 H LEU 76 H LEU 76 39.059 53.873 30.429 615 HA LEU 76 HA LEU 76 37.983 55.319 28.184 616 HB2 LEU 76 HB2 LEU 76 37.309 55.618 30.530 617 HB3 LEU 76 HB3 LEU 76 38.954 56.103 30.948 618 HG LEU 76 HG LEU 76 38.695 58.170 29.539 619 HD11 LEU 76 HD11 LEU 76 35.893 57.061 29.153 620 HD12 LEU 76 HD12 LEU 76 36.316 58.781 28.949 621 HD13 LEU 76 HD13 LEU 76 37.060 57.557 27.906 622 HD21 LEU 76 HD21 LEU 76 37.275 59.361 31.080 623 HD22 LEU 76 HD22 LEU 76 36.482 57.864 31.588 624 HD23 LEU 76 HD23 LEU 76 38.212 58.161 31.972 625 H LEU 77 H LEU 77 41.152 55.199 29.707 626 HA LEU 77 HA LEU 77 42.182 57.427 27.993 627 HB2 LEU 77 HB2 LEU 77 43.235 56.636 30.717 628 HB3 LEU 77 HB3 LEU 77 43.622 58.039 29.730 629 HG LEU 77 HG LEU 77 40.861 57.442 30.904 630 HD11 LEU 77 HD11 LEU 77 42.777 59.508 31.865 631 HD12 LEU 77 HD12 LEU 77 41.333 58.879 32.694 632 HD13 LEU 77 HD13 LEU 77 42.750 57.850 32.562 633 HD21 LEU 77 HD21 LEU 77 40.755 58.997 28.951 634 HD22 LEU 77 HD22 LEU 77 40.438 59.826 30.492 635 HD23 LEU 77 HD23 LEU 77 42.001 60.021 29.694 636 H ASN 78 H ASN 78 43.980 55.093 29.857 637 HA ASN 78 HA ASN 78 45.936 53.988 29.205 638 HB2 ASN 78 HB2 ASN 78 44.079 52.653 29.980 639 HB3 ASN 78 HB3 ASN 78 43.486 52.377 28.361 640 HD21 ASN 78 HD22 ASN 78 45.802 51.489 26.993 641 HD22 ASN 78 HD21 ASN 78 46.375 50.055 27.826 642 H GLY 79 H GLY 79 46.544 55.738 27.661 643 HA2 GLY 79 HA2 GLY 79 47.784 55.005 25.380 644 HA3 GLY 79 HA3 GLY 79 46.113 55.080 24.826 645 H ILE 80 H ILE 80 46.806 57.530 27.238 646 HA ILE 80 HA ILE 80 46.851 59.579 25.094 647 HB ILE 80 HB ILE 80 44.942 60.794 26.093 648 HG12 ILE 80 HG12 ILE 80 43.745 59.065 27.885 649 HG13 ILE 80 HG13 ILE 80 45.479 59.096 28.348 650 HG21 ILE 80 HG21 ILE 80 44.044 57.911 25.881 651 HG22 ILE 80 HG22 ILE 80 43.172 59.395 25.434 652 HG23 ILE 80 HG23 ILE 80 44.552 58.844 24.457 653 HD11 ILE 80 HD11 ILE 80 43.745 61.565 27.926 654 HD12 ILE 80 HD12 ILE 80 43.987 60.802 29.501 655 HD13 ILE 80 HD13 ILE 80 45.370 61.511 28.658 656 H LYS 81 H LYS 81 47.319 61.719 25.782 657 HA LYS 81 HA LYS 81 48.492 62.360 28.293 658 HB2 LYS 81 HB2 LYS 81 50.933 62.433 27.339 659 HB3 LYS 81 HB3 LYS 81 50.253 60.920 27.897 660 HG2 LYS 81 HG2 LYS 81 51.493 60.548 25.933 661 HG3 LYS 81 HG3 LYS 81 49.768 60.268 25.587 662 HD2 LYS 81 HD2 LYS 81 49.684 62.500 24.455 663 HD3 LYS 81 HD3 LYS 81 51.401 62.738 24.866 664 HE2 LYS 81 HE2 LYS 81 51.963 60.698 23.572 665 HE3 LYS 81 HE3 LYS 81 50.239 60.487 23.170 666 HZ1 LYS 81 HZ1 LYS 81 51.472 61.652 21.426 667 HZ2 LYS 81 HZ2 LYS 81 50.254 62.539 22.049 668 HZ3 LYS 81 HZ3 LYS 81 51.779 62.885 22.491 669 H LEU 82 H LEU 82 50.024 64.314 27.976 670 HA LEU 82 HA LEU 82 49.668 66.019 25.559 671 HB2 LEU 82 HB2 LEU 82 47.930 66.646 26.978 672 HB3 LEU 82 HB3 LEU 82 48.933 66.717 28.406 673 HG LEU 82 HG LEU 82 47.977 68.819 27.542 674 HD11 LEU 82 HD11 LEU 82 49.802 68.843 29.132 675 HD12 LEU 82 HD12 LEU 82 50.987 68.962 27.802 676 HD13 LEU 82 HD13 LEU 82 49.794 70.250 28.081 677 HD21 LEU 82 HD21 LEU 82 50.092 68.938 25.381 678 HD22 LEU 82 HD22 LEU 82 48.421 68.374 25.104 679 HD23 LEU 82 HD23 LEU 82 48.710 70.009 25.676 680 H TYR 83 H TYR 83 51.645 64.960 28.275 681 HA TYR 83 HA TYR 83 53.760 66.943 27.900 682 HB2 TYR 83 HB2 TYR 83 53.308 64.523 29.646 683 HB3 TYR 83 HB3 TYR 83 54.884 65.309 29.558 684 HD1 TYR 83 HD1 TYR 83 51.700 67.256 29.589 685 HD2 TYR 83 HD2 TYR 83 55.005 65.753 31.929 686 HE1 TYR 83 HE1 TYR 83 51.155 68.853 31.393 687 HE2 TYR 83 HE2 TYR 83 54.434 67.368 33.746 688 HH TYR 83 HH TYR 83 51.821 69.611 33.504 689 H GLY 84 H GLY 84 53.317 63.433 27.297 690 HA2 GLY 84 HA2 GLY 84 54.741 63.200 24.877 691 HA3 GLY 84 HA3 GLY 84 55.933 62.978 26.148 692 H ARG 85 H ARG 85 54.591 61.377 28.040 693 HA ARG 85 HA ARG 85 54.519 58.839 26.492 694 HB2 ARG 85 HB2 ARG 85 55.257 59.350 29.395 695 HB3 ARG 85 HB3 ARG 85 54.982 57.763 28.685 696 HG2 ARG 85 HG2 ARG 85 57.295 58.061 28.632 697 HG3 ARG 85 HG3 ARG 85 56.732 58.268 26.966 698 HD2 ARG 85 HD2 ARG 85 56.849 60.813 27.424 699 HD3 ARG 85 HD3 ARG 85 57.624 60.370 28.974 700 HE ARG 85 HE ARG 85 59.099 58.974 27.185 701 HH11 ARG 85 HH11 ARG 85 58.288 62.414 27.259 702 HH12 ARG 85 HH12 ARG 85 59.541 62.751 26.072 703 HH21 ARG 85 HH21 ARG 85 60.687 59.549 25.866 704 HH22 ARG 85 HH22 ARG 85 60.899 61.222 25.444 705 HA PRO 86 HA PRO 86 50.071 58.928 27.402 706 HB2 PRO 86 HB2 PRO 86 49.436 56.497 26.292 707 HB3 PRO 86 HB3 PRO 86 49.734 58.009 25.354 708 HG2 PRO 86 HG2 PRO 86 51.668 55.796 26.029 709 HG3 PRO 86 HG3 PRO 86 51.345 56.538 24.395 710 HD2 PRO 86 HD2 PRO 86 53.440 57.278 25.795 711 HD3 PRO 86 HD3 PRO 86 52.418 58.547 25.041 712 H ILE 87 H ILE 87 48.972 58.465 29.141 713 HA ILE 87 HA ILE 87 50.087 56.973 31.312 714 HB ILE 87 HB ILE 87 47.438 58.290 30.719 715 HG12 ILE 87 HG12 ILE 87 49.224 59.814 31.192 716 HG13 ILE 87 HG13 ILE 87 48.050 59.814 32.512 717 HG21 ILE 87 HG21 ILE 87 46.834 56.374 32.064 718 HG22 ILE 87 HG22 ILE 87 47.983 56.881 33.336 719 HG23 ILE 87 HG23 ILE 87 46.569 57.895 32.879 720 HD11 ILE 87 HD11 ILE 87 49.703 58.336 33.804 721 HD12 ILE 87 HD12 ILE 87 50.882 58.792 32.535 722 HD13 ILE 87 HD13 ILE 87 50.102 60.037 33.527 723 H LYS 88 H LYS 88 50.008 54.870 31.753 724 HA LYS 88 HA LYS 88 48.132 53.110 30.245 725 HB2 LYS 88 HB2 LYS 88 50.510 52.796 29.678 726 HB3 LYS 88 HB3 LYS 88 50.899 52.564 31.398 727 HG2 LYS 88 HG2 LYS 88 50.822 50.485 30.049 728 HG3 LYS 88 HG3 LYS 88 49.769 50.479 31.475 729 HD2 LYS 88 HD2 LYS 88 47.816 50.883 30.087 730 HD3 LYS 88 HD3 LYS 88 48.830 51.134 28.649 731 HE2 LYS 88 HE2 LYS 88 48.957 48.575 30.288 732 HE3 LYS 88 HE3 LYS 88 47.692 48.788 29.074 733 HZ1 LYS 88 HZ1 LYS 88 49.660 47.640 28.212 734 HZ2 LYS 88 HZ2 LYS 88 49.384 49.011 27.399 735 HZ3 LYS 88 HZ3 LYS 88 50.587 48.957 28.463 736 H ILE 89 H ILE 89 46.416 52.837 31.579 737 HA ILE 89 HA ILE 89 46.864 52.514 34.468 738 HB ILE 89 HB ILE 89 44.343 52.284 32.845 739 HG12 ILE 89 HG12 ILE 89 43.990 54.514 34.339 740 HG13 ILE 89 HG13 ILE 89 45.746 54.580 34.245 741 HG21 ILE 89 HG21 ILE 89 44.844 52.436 35.859 742 HG22 ILE 89 HG22 ILE 89 43.247 52.595 35.124 743 HG23 ILE 89 HG23 ILE 89 44.126 51.065 34.978 744 HD11 ILE 89 HD11 ILE 89 43.950 54.319 31.802 745 HD12 ILE 89 HD12 ILE 89 44.469 55.872 32.525 746 HD13 ILE 89 HD13 ILE 89 45.665 54.736 31.832 747 H GLN 90 H GLN 90 46.648 50.594 35.592 748 HA GLN 90 HA GLN 90 46.357 47.968 34.252 749 HB2 GLN 90 HB2 GLN 90 48.545 48.590 36.300 750 HB3 GLN 90 HB3 GLN 90 48.276 47.081 35.450 751 HG2 GLN 90 HG2 GLN 90 49.030 48.117 33.335 752 HG3 GLN 90 HG3 GLN 90 49.106 49.699 34.132 753 HE21 GLN 90 HE22 GLN 90 51.218 49.398 32.990 754 HE22 GLN 90 HE21 GLN 90 52.522 48.827 34.047 755 H PHE 91 H PHE 91 46.036 46.267 35.894 756 HA PHE 91 HA PHE 91 44.697 47.368 38.333 757 HB2 PHE 91 HB2 PHE 91 42.919 46.757 36.876 758 HB3 PHE 91 HB3 PHE 91 43.642 45.160 36.598 759 HD1 PHE 91 HD1 PHE 91 43.603 43.426 38.267 760 HD2 PHE 91 HD2 PHE 91 41.812 47.251 39.139 761 HE1 PHE 91 HE1 PHE 91 42.811 42.553 40.424 762 HE2 PHE 91 HE2 PHE 91 41.051 46.375 41.334 763 HZ PHE 91 HZ PHE 91 41.580 44.035 41.999 764 H ARG 92 H ARG 92 45.342 46.601 40.124 765 HA ARG 92 HA ARG 92 46.422 43.898 40.451 766 HB2 ARG 92 HB2 ARG 92 48.328 45.654 39.911 767 HB3 ARG 92 HB3 ARG 92 48.079 46.189 41.549 768 HG2 ARG 92 HG2 ARG 92 49.809 44.566 41.747 769 HG3 ARG 92 HG3 ARG 92 48.386 43.614 42.166 770 HD2 ARG 92 HD2 ARG 92 48.216 42.765 39.875 771 HD3 ARG 92 HD3 ARG 92 49.607 43.734 39.376 772 HE ARG 92 HE ARG 92 50.556 42.100 41.473 773 HH11 ARG 92 HH11 ARG 92 49.071 41.496 38.299 774 HH12 ARG 92 HH12 ARG 92 49.911 39.947 38.211 775 HH21 ARG 92 HH21 ARG 92 51.239 40.010 41.268 776 HH22 ARG 92 HH22 ARG 92 51.028 39.147 39.768 777 H SER 93 H SER 93 46.448 43.285 42.697 778 HA SER 93 HA SER 93 44.663 44.860 44.497 779 HB2 SER 93 HB2 SER 93 43.773 42.860 43.381 780 HB3 SER 93 HB3 SER 93 44.954 41.874 44.276 781 HG SER 93 HG SER 93 43.261 41.985 45.542 782 H GLY 94 H GLY 94 44.929 44.429 46.849 783 HA2 GLY 94 HA2 GLY 94 46.492 42.714 48.148 784 HA3 GLY 94 HA3 GLY 94 47.676 43.985 47.875 785 H SER 95 H SER 95 45.855 42.833 50.180 786 HA SER 95 HA SER 95 45.407 45.335 51.643 787 HB2 SER 95 HB2 SER 95 43.170 43.277 51.210 788 HB3 SER 95 HB3 SER 95 43.061 44.757 52.175 789 HG SER 95 HG SER 95 43.161 45.897 50.264 790 H SER 96 H SER 96 45.587 44.949 53.910 791 HA SER 96 HA SER 96 45.297 42.397 55.137 792 HB2 SER 96 HB2 SER 96 48.171 43.419 54.775 793 HB3 SER 96 HB3 SER 96 47.728 42.347 56.097 794 HG SER 96 HG SER 96 47.196 41.662 53.464 795 H HIS 97 H HIS 97 45.088 42.538 57.277 796 HA HIS 97 HA HIS 97 46.402 44.391 58.982 797 HB2 HIS 97 HB2 HIS 97 44.650 45.945 58.397 798 HB3 HIS 97 HB3 HIS 97 43.379 44.766 58.738 799 HD2 HIS 97 HD2 HIS 97 46.472 45.997 60.782 800 HE1 HIS 97 HE1 HIS 97 43.068 46.363 63.289 801 HE2 HIS 97 HE2 HIS 97 45.531 46.737 63.124 802 H ALA 98 H ALA 98 46.995 43.046 60.571 803 HA ALA 98 HA ALA 98 45.244 40.904 61.690 804 HB1 ALA 98 HB1 ALA 98 48.198 41.583 61.874 805 HB2 ALA 98 HB2 ALA 98 47.402 40.320 62.839 806 HB3 ALA 98 HB3 ALA 98 47.453 40.190 61.064 807 HA PRO 99 HA PRO 99 44.864 43.737 65.245 808 HB2 PRO 99 HB2 PRO 99 44.551 42.044 67.359 809 HB3 PRO 99 HB3 PRO 99 43.238 42.308 66.175 810 HG2 PRO 99 HG2 PRO 99 45.215 40.009 66.275 811 HG3 PRO 99 HG3 PRO 99 43.454 39.934 65.990 812 HD2 PRO 99 HD2 PRO 99 45.280 39.866 63.964 813 HD3 PRO 99 HD3 PRO 99 43.658 40.570 63.782 814 H GLN 100 H GLN 100 46.430 44.493 66.938 815 HA GLN 100 HA GLN 100 49.054 43.112 66.743 816 HB2 GLN 100 HB2 GLN 100 50.021 45.061 66.637 817 HB3 GLN 100 HB3 GLN 100 48.431 45.561 66.044 818 HG2 GLN 100 HG2 GLN 100 49.494 45.956 68.825 819 HG3 GLN 100 HG3 GLN 100 49.478 47.144 67.499 820 HE21 GLN 100 HE22 GLN 100 48.149 47.050 70.241 821 HE22 GLN 100 HE21 GLN 100 46.488 47.506 69.847 822 H ASP 101 H ASP 101 46.796 44.221 69.184 823 HA ASP 101 HA ASP 101 48.377 42.796 71.301 824 HB2 ASP 101 HB2 ASP 101 46.842 45.361 71.551 825 HB3 ASP 101 HB3 ASP 101 47.060 44.315 72.933 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 54.346 34.301 19.396 2 H2 GLY 1 H2 GLY 1 53.959 35.722 18.699 3 H3 GLY 1 H3 GLY 1 53.215 35.247 20.082 4 HA2 GLY 1 HA2 GLY 1 55.182 35.442 21.372 5 HA3 GLY 1 HA3 GLY 1 56.086 35.838 19.908 6 H SER 2 H SER 2 54.417 37.078 22.566 7 HA SER 2 HA SER 2 53.766 39.733 21.408 8 HB2 SER 2 HB2 SER 2 52.694 38.126 23.757 9 HB3 SER 2 HB3 SER 2 52.329 39.839 23.550 10 HG SER 2 HG SER 2 50.884 38.789 22.285 11 H GLU 3 H GLU 3 55.279 38.232 24.262 12 HA GLU 3 HA GLU 3 57.124 40.526 24.587 13 HB2 GLU 3 HB2 GLU 3 55.609 39.406 26.969 14 HB3 GLU 3 HB3 GLU 3 56.873 40.628 26.953 15 HG2 GLU 3 HG2 GLU 3 55.513 42.248 25.894 16 HG3 GLU 3 HG3 GLU 3 54.259 41.078 25.460 17 H PHE 4 H PHE 4 59.161 39.852 25.483 18 HA PHE 4 HA PHE 4 59.602 36.933 25.788 19 HB2 PHE 4 HB2 PHE 4 60.737 37.968 23.833 20 HB3 PHE 4 HB3 PHE 4 61.576 39.109 24.879 21 HD1 PHE 4 HD2 PHE 4 61.208 35.608 23.837 22 HD2 PHE 4 HD1 PHE 4 63.638 38.409 26.036 23 HE1 PHE 4 HE2 PHE 4 62.836 33.816 24.327 24 HE2 PHE 4 HE1 PHE 4 65.327 36.648 26.410 25 HZ PHE 4 HZ PHE 4 65.014 34.392 25.402 26 H GLU 5 H GLU 5 60.055 40.005 27.393 27 HA GLU 5 HA GLU 5 61.760 38.744 29.444 28 HB2 GLU 5 HB2 GLU 5 61.704 41.604 28.436 29 HB3 GLU 5 HB3 GLU 5 62.804 40.934 29.690 30 HG2 GLU 5 HG2 GLU 5 63.570 39.261 28.020 31 HG3 GLU 5 HG3 GLU 5 62.599 40.102 26.789 32 H LEU 6 H LEU 6 58.821 38.768 29.651 33 HA LEU 6 HA LEU 6 58.347 40.533 32.009 34 HB2 LEU 6 HB2 LEU 6 56.757 39.703 29.586 35 HB3 LEU 6 HB3 LEU 6 55.859 39.813 31.068 36 HG LEU 6 HG LEU 6 55.567 41.838 30.019 37 HD11 LEU 6 HD11 LEU 6 57.547 42.318 32.262 38 HD12 LEU 6 HD12 LEU 6 56.102 43.261 31.863 39 HD13 LEU 6 HD13 LEU 6 55.931 41.608 32.484 40 HD21 LEU 6 HD21 LEU 6 58.541 42.522 30.083 41 HD22 LEU 6 HD22 LEU 6 57.751 41.793 28.653 42 HD23 LEU 6 HD23 LEU 6 57.221 43.363 29.266 43 H ARG 7 H ARG 7 57.189 39.999 33.809 44 HA ARG 7 HA ARG 7 57.357 37.430 34.852 45 HB2 ARG 7 HB2 ARG 7 55.625 39.842 35.544 46 HB3 ARG 7 HB3 ARG 7 55.561 38.333 36.456 47 HG2 ARG 7 HG2 ARG 7 56.922 39.845 37.612 48 HG3 ARG 7 HG3 ARG 7 57.844 38.428 37.046 49 HD2 ARG 7 HD2 ARG 7 57.954 41.076 35.576 50 HD3 ARG 7 HD3 ARG 7 58.876 40.777 37.051 51 HE ARG 7 HE ARG 7 59.446 38.542 35.494 52 HH11 ARG 7 HH11 ARG 7 59.995 42.027 35.158 53 HH12 ARG 7 HH12 ARG 7 61.237 41.747 33.962 54 HH21 ARG 7 HH21 ARG 7 61.093 38.370 33.910 55 HH22 ARG 7 HH22 ARG 7 61.830 39.821 33.331 56 H ARG 8 H ARG 8 56.163 35.685 34.878 57 HA ARG 8 HA ARG 8 53.766 35.501 33.160 58 HB2 ARG 8 HB2 ARG 8 54.107 33.133 33.129 59 HB3 ARG 8 HB3 ARG 8 55.486 34.074 32.548 60 HG2 ARG 8 HG2 ARG 8 56.596 33.596 34.810 61 HG3 ARG 8 HG3 ARG 8 55.234 32.569 35.205 62 HD2 ARG 8 HD2 ARG 8 57.043 31.184 34.430 63 HD3 ARG 8 HD3 ARG 8 55.734 31.075 33.268 64 HE ARG 8 HE ARG 8 57.276 33.100 32.193 65 HH11 ARG 8 HH11 ARG 8 58.164 29.691 33.049 66 HH12 ARG 8 HH12 ARG 8 59.653 29.956 32.151 67 HH21 ARG 8 HH21 ARG 8 59.131 33.000 30.999 68 HH22 ARG 8 HH22 ARG 8 60.226 31.692 31.278 69 H GLN 9 H GLN 9 52.903 36.835 35.139 70 HA GLN 9 HA GLN 9 50.993 34.969 36.448 71 HB2 GLN 9 HB2 GLN 9 52.210 37.395 37.784 72 HB3 GLN 9 HB3 GLN 9 50.853 36.445 38.404 73 HG2 GLN 9 HG2 GLN 9 53.632 35.296 37.983 74 HG3 GLN 9 HG3 GLN 9 53.001 35.987 39.492 75 HE21 GLN 9 HE22 GLN 9 52.480 33.285 37.201 76 HE22 GLN 9 HE21 GLN 9 51.729 32.242 38.411 77 H GLN 10 H GLN 10 48.888 35.876 36.593 78 HA GLN 10 HA GLN 10 48.288 36.780 34.065 79 HB2 GLN 10 HB2 GLN 10 45.974 36.963 34.730 80 HB3 GLN 10 HB3 GLN 10 46.744 35.440 35.233 81 HG2 GLN 10 HG2 GLN 10 46.927 36.441 37.565 82 HG3 GLN 10 HG3 GLN 10 45.888 37.767 36.959 83 HE21 GLN 10 HE22 GLN 10 43.681 37.139 36.238 84 HE22 GLN 10 HE21 GLN 10 42.961 35.651 36.840 85 H ALA 11 H ALA 11 48.174 38.973 36.934 86 HA ALA 11 HA ALA 11 48.672 41.224 35.126 87 HB1 ALA 11 HB1 ALA 11 46.751 42.521 35.771 88 HB2 ALA 11 HB2 ALA 11 46.154 40.958 35.151 89 HB3 ALA 11 HB3 ALA 11 46.209 41.271 36.909 90 H LEU 12 H LEU 12 48.563 43.359 36.206 91 HA LEU 12 HA LEU 12 50.163 43.428 38.690 92 HB2 LEU 12 HB2 LEU 12 49.647 45.680 36.688 93 HB3 LEU 12 HB3 LEU 12 50.853 45.672 37.962 94 HG LEU 12 HG LEU 12 50.796 43.956 35.477 95 HD11 LEU 12 HD11 LEU 12 51.569 46.364 35.113 96 HD12 LEU 12 HD12 LEU 12 52.849 46.065 36.304 97 HD13 LEU 12 HD13 LEU 12 52.798 45.137 34.790 98 HD21 LEU 12 HD21 LEU 12 52.955 44.101 37.643 99 HD22 LEU 12 HD22 LEU 12 51.875 42.721 37.382 100 HD23 LEU 12 HD23 LEU 12 53.041 43.186 36.121 101 H ALA 13 H ALA 13 49.583 44.451 40.482 102 HA ALA 13 HA ALA 13 47.475 46.447 40.647 103 HB1 ALA 13 HB1 ALA 13 46.968 43.646 41.766 104 HB2 ALA 13 HB2 ALA 13 46.077 45.086 42.274 105 HB3 ALA 13 HB3 ALA 13 46.001 44.555 40.581 106 H GLU 14 H GLU 14 49.093 44.035 42.774 107 HA GLU 14 HA GLU 14 49.579 44.180 44.960 108 HB2 GLU 14 HB2 GLU 14 51.104 46.336 43.619 109 HB3 GLU 14 HB3 GLU 14 50.957 46.575 45.357 110 HG2 GLU 14 HG2 GLU 14 51.635 44.076 45.551 111 HG3 GLU 14 HG3 GLU 14 51.946 44.150 43.806 112 H ALA 15 H ALA 15 46.938 45.762 44.101 113 HA ALA 15 HA ALA 15 46.258 46.386 46.874 114 HB1 ALA 15 HB1 ALA 15 45.456 48.648 46.372 115 HB2 ALA 15 HB2 ALA 15 47.189 48.562 46.031 116 HB3 ALA 15 HB3 ALA 15 46.007 48.474 44.689 117 H ASP 16 H ASP 16 44.139 46.994 47.174 118 HA ASP 16 HA ASP 16 42.193 45.523 45.503 119 HB2 ASP 16 HB2 ASP 16 42.684 45.468 48.507 120 HB3 ASP 16 HB3 ASP 16 41.092 45.171 47.870 121 H ARG 17 H ARG 17 42.859 48.481 47.388 122 HA ARG 17 HA ARG 17 40.187 49.622 46.646 123 HB2 ARG 17 HB2 ARG 17 41.953 50.336 49.014 124 HB3 ARG 17 HB3 ARG 17 40.487 51.191 48.491 125 HG2 ARG 17 HG2 ARG 17 39.349 48.838 48.728 126 HG3 ARG 17 HG3 ARG 17 40.768 48.486 49.738 127 HD2 ARG 17 HD2 ARG 17 40.253 50.501 51.124 128 HD3 ARG 17 HD3 ARG 17 38.918 50.920 50.097 129 HE ARG 17 HE ARG 17 38.932 48.834 52.188 130 HH11 ARG 17 HH11 ARG 17 37.133 49.895 49.282 131 HH12 ARG 17 HH12 ARG 17 35.724 49.030 49.821 132 HH21 ARG 17 HH21 ARG 17 37.145 47.970 52.763 133 HH22 ARG 17 HH22 ARG 17 35.746 47.887 51.715 134 H THR 18 H THR 18 43.396 49.616 45.796 135 HA THR 18 HA THR 18 43.359 52.493 44.949 136 HB THR 18 HB THR 18 45.942 51.129 45.584 137 HG1 THR 18 HG1 THR 18 45.651 52.203 47.581 138 HG21 THR 18 HG21 THR 18 45.031 54.043 45.865 139 HG22 THR 18 HG22 THR 18 46.692 53.442 45.747 140 HG23 THR 18 HG23 THR 18 45.638 53.442 44.328 141 H LEU 19 H LEU 19 43.899 52.960 42.861 142 HA LEU 19 HA LEU 19 44.081 50.718 40.947 143 HB2 LEU 19 HB2 LEU 19 42.373 52.628 40.781 144 HB3 LEU 19 HB3 LEU 19 43.727 53.695 40.478 145 HG LEU 19 HG LEU 19 44.295 52.595 38.411 146 HD11 LEU 19 HD11 LEU 19 42.961 50.787 37.408 147 HD12 LEU 19 HD12 LEU 19 43.786 50.230 38.849 148 HD13 LEU 19 HD13 LEU 19 42.041 50.588 38.912 149 HD21 LEU 19 HD21 LEU 19 42.610 54.286 38.316 150 HD22 LEU 19 HD22 LEU 19 42.240 53.011 37.126 151 HD23 LEU 19 HD23 LEU 19 41.317 53.110 38.645 152 H PHE 20 H PHE 20 45.860 50.214 39.832 153 HA PHE 20 HA PHE 20 48.300 51.737 40.377 154 HB2 PHE 20 HB2 PHE 20 48.306 49.258 40.477 155 HB3 PHE 20 HB3 PHE 20 47.975 49.169 38.769 156 HD1 PHE 20 HD1 PHE 20 49.629 50.118 37.085 157 HD2 PHE 20 HD2 PHE 20 50.576 49.816 41.274 158 HE1 PHE 20 HE1 PHE 20 52.016 50.548 36.577 159 HE2 PHE 20 HE2 PHE 20 52.993 50.162 40.733 160 HZ PHE 20 HZ PHE 20 53.696 50.539 38.390 161 H VAL 21 H VAL 21 49.201 53.219 39.000 162 HA VAL 21 HA VAL 21 48.368 53.205 36.129 163 HB VAL 21 HB VAL 21 49.134 55.714 37.648 164 HG11 VAL 21 HG11 VAL 21 47.477 55.365 35.136 165 HG12 VAL 21 HG12 VAL 21 48.252 56.849 35.765 166 HG13 VAL 21 HG13 VAL 21 49.230 55.558 35.052 167 HG21 VAL 21 HG21 VAL 21 47.005 54.884 38.674 168 HG22 VAL 21 HG22 VAL 21 46.703 56.298 37.670 169 HG23 VAL 21 HG23 VAL 21 46.314 54.674 37.060 170 H GLY 22 H GLY 22 50.087 52.994 34.738 171 HA2 GLY 22 HA2 GLY 22 52.880 53.591 35.623 172 HA3 GLY 22 HA3 GLY 22 52.524 52.096 34.843 173 H ASN 23 H ASN 23 54.206 53.241 33.566 174 HA ASN 23 HA ASN 23 55.006 54.061 31.614 175 HB2 ASN 23 HB2 ASN 23 52.791 52.904 30.805 176 HB3 ASN 23 HB3 ASN 23 52.190 54.536 30.646 177 HD21 ASN 23 HD21 ASN 23 51.952 54.372 28.485 178 HD22 ASN 23 HD22 ASN 23 53.248 54.072 27.329 179 H LEU 24 H LEU 24 54.286 55.793 33.912 180 HA LEU 24 HA LEU 24 53.078 58.294 33.087 181 HB2 LEU 24 HB2 LEU 24 54.842 57.591 35.441 182 HB3 LEU 24 HB3 LEU 24 54.159 59.171 35.137 183 HG LEU 24 HG LEU 24 53.156 57.419 36.855 184 HD11 LEU 24 HD11 LEU 24 51.679 59.459 35.252 185 HD12 LEU 24 HD12 LEU 24 50.799 58.418 36.413 186 HD13 LEU 24 HD13 LEU 24 52.106 59.424 36.984 187 HD21 LEU 24 HD21 LEU 24 52.755 55.718 35.165 188 HD22 LEU 24 HD22 LEU 24 51.280 56.144 36.067 189 HD23 LEU 24 HD23 LEU 24 51.498 56.723 34.404 190 H GLU 25 H GLU 25 53.852 60.163 32.572 191 HA GLU 25 HA GLU 25 56.274 60.338 31.290 192 HB2 GLU 25 HB2 GLU 25 54.078 62.082 32.304 193 HB3 GLU 25 HB3 GLU 25 55.535 62.998 31.805 194 HG2 GLU 25 HG2 GLU 25 55.305 62.405 29.620 195 HG3 GLU 25 HG3 GLU 25 54.475 60.892 29.925 196 H THR 26 H THR 26 57.985 61.975 31.592 197 HA THR 26 HA THR 26 59.373 61.377 34.038 198 HB THR 26 HB THR 26 61.292 62.114 33.007 199 HG1 THR 26 HG1 THR 26 59.809 63.696 31.226 200 HG21 THR 26 HG21 THR 26 61.352 61.230 30.853 201 HG22 THR 26 HG22 THR 26 60.086 60.321 31.707 202 HG23 THR 26 HG23 THR 26 59.623 61.577 30.540 203 H LYS 27 H LYS 27 57.746 64.264 32.824 204 HA LYS 27 HA LYS 27 58.283 65.725 35.347 205 HB2 LYS 27 HB2 LYS 27 58.780 66.797 33.111 206 HB3 LYS 27 HB3 LYS 27 57.028 66.802 32.794 207 HG2 LYS 27 HG2 LYS 27 58.068 68.946 33.560 208 HG3 LYS 27 HG3 LYS 27 56.615 68.388 34.411 209 HD2 LYS 27 HD2 LYS 27 58.231 69.367 35.896 210 HD3 LYS 27 HD3 LYS 27 57.989 67.640 36.282 211 HE2 LYS 27 HE2 LYS 27 60.139 67.055 35.380 212 HE3 LYS 27 HE3 LYS 27 60.224 68.564 34.458 213 HZ1 LYS 27 HZ1 LYS 27 61.661 68.692 36.338 214 HZ2 LYS 27 HZ2 LYS 27 60.474 69.755 36.527 215 HZ3 LYS 27 HZ3 LYS 27 60.449 68.372 37.395 216 H VAL 28 H VAL 28 56.179 63.386 34.850 217 HA VAL 28 HA VAL 28 53.713 64.634 35.275 218 HB VAL 28 HB VAL 28 54.143 62.229 34.618 219 HG11 VAL 28 HG11 VAL 28 54.418 61.904 37.651 220 HG12 VAL 28 HG12 VAL 28 53.753 60.637 36.628 221 HG13 VAL 28 HG13 VAL 28 55.426 61.225 36.361 222 HG21 VAL 28 HG21 VAL 28 51.877 63.335 35.209 223 HG22 VAL 28 HG22 VAL 28 51.951 61.580 35.272 224 HG23 VAL 28 HG23 VAL 28 52.022 62.515 36.776 225 H THR 29 H THR 29 52.256 64.438 37.151 226 HA THR 29 HA THR 29 53.282 64.697 39.842 227 HB THR 29 HB THR 29 52.309 66.915 40.242 228 HG1 THR 29 HG1 THR 29 52.383 67.206 37.496 229 HG21 THR 29 HG21 THR 29 54.551 67.126 38.191 230 HG22 THR 29 HG22 THR 29 54.246 68.144 39.633 231 HG23 THR 29 HG23 THR 29 54.783 66.441 39.806 232 H GLU 30 H GLU 30 51.537 65.094 41.366 233 HA GLU 30 HA GLU 30 49.265 63.514 40.958 234 HB2 GLU 30 HB2 GLU 30 49.764 65.800 42.911 235 HB3 GLU 30 HB3 GLU 30 48.498 64.586 43.111 236 HG2 GLU 30 HG2 GLU 30 50.453 62.829 42.997 237 HG3 GLU 30 HG3 GLU 30 51.518 64.216 43.248 238 H GLU 31 H GLU 31 49.689 66.979 40.392 239 HA GLU 31 HA GLU 31 46.957 67.703 39.962 240 HB2 GLU 31 HB2 GLU 31 49.646 68.704 38.975 241 HB3 GLU 31 HB3 GLU 31 48.122 69.633 38.823 242 HG2 GLU 31 HG2 GLU 31 47.850 69.368 41.319 243 HG3 GLU 31 HG3 GLU 31 49.498 68.709 41.379 244 H LEU 32 H LEU 32 49.410 66.257 37.827 245 HA LEU 32 HA LEU 32 47.872 66.781 35.416 246 HB2 LEU 32 HB2 LEU 32 50.354 66.590 35.297 247 HB3 LEU 32 HB3 LEU 32 50.272 64.936 35.880 248 HG LEU 32 HG LEU 32 49.161 64.178 33.866 249 HD11 LEU 32 HD11 LEU 32 48.730 65.916 31.966 250 HD12 LEU 32 HD12 LEU 32 47.639 66.029 33.344 251 HD13 LEU 32 HD13 LEU 32 48.994 67.161 33.194 252 HD21 LEU 32 HD21 LEU 32 51.728 64.767 33.632 253 HD22 LEU 32 HD22 LEU 32 50.736 64.460 32.204 254 HD23 LEU 32 HD23 LEU 32 51.128 66.128 32.648 255 H LEU 33 H LEU 33 48.428 64.134 37.644 256 HA LEU 33 HA LEU 33 46.691 62.175 36.440 257 HB2 LEU 33 HB2 LEU 33 47.611 62.622 39.284 258 HB3 LEU 33 HB3 LEU 33 46.833 61.143 38.748 259 HG LEU 33 HG LEU 33 49.543 62.237 37.852 260 HD11 LEU 33 HD11 LEU 33 48.880 59.685 39.320 261 HD12 LEU 33 HD12 LEU 33 50.501 60.373 38.975 262 HD13 LEU 33 HD13 LEU 33 49.414 61.208 40.083 263 HD21 LEU 33 HD21 LEU 33 48.305 61.032 35.934 264 HD22 LEU 33 HD22 LEU 33 49.914 60.536 36.339 265 HD23 LEU 33 HD23 LEU 33 48.538 59.546 36.884 266 H PHE 34 H PHE 34 45.961 64.467 39.213 267 HA PHE 34 HA PHE 34 43.372 63.472 39.547 268 HB2 PHE 34 HB2 PHE 34 44.712 65.048 41.101 269 HB3 PHE 34 HB3 PHE 34 44.289 66.359 40.034 270 HD1 PHE 34 HD2 PHE 34 43.019 64.026 42.628 271 HD2 PHE 34 HD1 PHE 34 42.146 67.455 40.211 272 HE1 PHE 34 HE2 PHE 34 40.773 64.162 43.655 273 HE2 PHE 34 HE1 PHE 34 39.934 67.679 41.358 274 HZ PHE 34 HZ PHE 34 39.131 65.853 42.843 275 H GLU 35 H GLU 35 44.561 65.922 37.316 276 HA GLU 35 HA GLU 35 41.937 66.553 36.269 277 HB2 GLU 35 HB2 GLU 35 42.843 67.969 34.816 278 HB3 GLU 35 HB3 GLU 35 43.862 68.135 36.255 279 HG2 GLU 35 HG2 GLU 35 45.711 67.044 35.146 280 HG3 GLU 35 HG3 GLU 35 44.705 66.653 33.741 281 H LEU 36 H LEU 36 44.418 64.233 35.045 282 HA LEU 36 HA LEU 36 42.926 63.520 32.688 283 HB2 LEU 36 HB2 LEU 36 45.198 63.240 32.791 284 HB3 LEU 36 HB3 LEU 36 45.192 62.397 34.328 285 HG LEU 36 HG LEU 36 43.773 61.126 31.984 286 HD11 LEU 36 HD11 LEU 36 46.758 61.314 32.459 287 HD12 LEU 36 HD12 LEU 36 45.964 60.051 31.440 288 HD13 LEU 36 HD13 LEU 36 45.899 61.781 30.994 289 HD21 LEU 36 HD21 LEU 36 43.804 60.031 34.264 290 HD22 LEU 36 HD22 LEU 36 44.734 59.068 33.096 291 HD23 LEU 36 HD23 LEU 36 45.577 60.109 34.251 292 H PHE 37 H PHE 37 42.970 62.165 36.038 293 HA PHE 37 HA PHE 37 40.938 60.231 35.282 294 HB2 PHE 37 HB2 PHE 37 42.217 60.716 37.966 295 HB3 PHE 37 HB3 PHE 37 41.147 59.371 37.512 296 HD1 PHE 37 HD2 PHE 37 41.758 58.051 35.370 297 HD2 PHE 37 HD1 PHE 37 44.542 60.276 37.777 298 HE1 PHE 37 HE2 PHE 37 43.619 56.556 34.605 299 HE2 PHE 37 HE1 PHE 37 46.380 58.769 37.050 300 HZ PHE 37 HZ PHE 37 45.888 56.860 35.521 301 H HIS 38 H HIS 38 40.638 63.479 36.362 302 HA HIS 38 HA HIS 38 38.089 63.705 37.555 303 HB2 HIS 38 HB2 HIS 38 39.691 65.571 36.769 304 HB3 HIS 38 HB3 HIS 38 39.186 65.179 35.123 305 HD2 HIS 38 HD2 HIS 38 37.793 66.727 38.361 306 HE1 HIS 38 HE1 HIS 38 35.104 67.628 35.175 307 HE2 HIS 38 HE2 HIS 38 35.638 68.059 37.623 308 H GLN 39 H GLN 39 38.891 62.861 34.236 309 HA GLN 39 HA GLN 39 36.172 62.782 33.205 310 HB2 GLN 39 HB2 GLN 39 38.715 61.464 32.258 311 HB3 GLN 39 HB3 GLN 39 37.276 61.760 31.281 312 HG2 GLN 39 HG2 GLN 39 37.728 64.168 31.191 313 HG3 GLN 39 HG3 GLN 39 38.915 64.054 32.483 314 HE21 GLN 39 HE22 GLN 39 40.945 64.312 31.751 315 HE22 GLN 39 HE21 GLN 39 41.546 63.680 30.212 316 H ALA 40 H ALA 40 38.225 60.503 35.001 317 HA ALA 40 HA ALA 40 36.874 58.187 33.822 318 HB1 ALA 40 HB1 ALA 40 39.346 58.209 34.044 319 HB2 ALA 40 HB2 ALA 40 39.184 58.278 35.809 320 HB3 ALA 40 HB3 ALA 40 38.565 56.868 34.915 321 H GLY 41 H GLY 41 36.190 60.142 36.308 322 HA2 GLY 41 HA2 GLY 41 33.996 59.788 37.368 323 HA3 GLY 41 HA3 GLY 41 34.472 58.128 37.702 324 HA PRO 42 HA PRO 42 35.064 60.738 41.605 325 HB2 PRO 42 HB2 PRO 42 34.442 57.923 42.555 326 HB3 PRO 42 HB3 PRO 42 34.039 59.503 43.299 327 HG2 PRO 42 HG2 PRO 42 32.160 58.286 41.786 328 HG3 PRO 42 HG3 PRO 42 32.546 60.039 41.546 329 HD2 PRO 42 HD2 PRO 42 33.634 57.624 40.025 330 HD3 PRO 42 HD3 PRO 42 32.800 59.048 39.330 331 H VAL 43 H VAL 43 37.034 61.126 42.212 332 HA VAL 43 HA VAL 43 39.009 58.927 42.525 333 HB VAL 43 HB VAL 43 39.477 61.687 41.368 334 HG11 VAL 43 HG11 VAL 43 41.115 61.587 43.073 335 HG12 VAL 43 HG12 VAL 43 41.395 59.859 42.839 336 HG13 VAL 43 HG13 VAL 43 41.927 61.033 41.595 337 HG21 VAL 43 HG21 VAL 43 40.587 60.423 39.626 338 HG22 VAL 43 HG22 VAL 43 40.387 58.891 40.522 339 HG23 VAL 43 HG23 VAL 43 38.983 59.711 39.855 340 H ILE 44 H ILE 44 39.942 58.918 44.558 341 HA ILE 44 HA ILE 44 38.530 60.617 46.552 342 HB ILE 44 HB ILE 44 39.933 57.935 46.781 343 HG12 ILE 44 HG12 ILE 44 37.001 58.689 47.132 344 HG13 ILE 44 HG13 ILE 44 37.649 57.948 45.696 345 HG21 ILE 44 HG21 ILE 44 38.579 59.557 49.002 346 HG22 ILE 44 HG22 ILE 44 39.375 57.962 49.172 347 HG23 ILE 44 HG23 ILE 44 40.311 59.396 48.843 348 HD11 ILE 44 HD11 ILE 44 37.846 56.518 48.373 349 HD12 ILE 44 HD12 ILE 44 36.597 56.257 47.142 350 HD13 ILE 44 HD13 ILE 44 38.301 55.948 46.759 351 H LYS 45 H LYS 45 41.713 59.417 45.670 352 HA LYS 45 HA LYS 45 43.060 61.885 46.202 353 HB2 LYS 45 HB2 LYS 45 44.700 61.242 47.706 354 HB3 LYS 45 HB3 LYS 45 43.138 61.024 48.486 355 HG2 LYS 45 HG2 LYS 45 44.529 58.610 47.229 356 HG3 LYS 45 HG3 LYS 45 45.233 59.338 48.661 357 HD2 LYS 45 HD2 LYS 45 42.345 58.413 48.606 358 HD3 LYS 45 HD3 LYS 45 43.715 57.429 49.147 359 HE2 LYS 45 HE2 LYS 45 43.711 60.181 50.244 360 HE3 LYS 45 HE3 LYS 45 42.289 59.241 50.724 361 HZ1 LYS 45 HZ1 LYS 45 45.138 58.741 51.254 362 HZ2 LYS 45 HZ2 LYS 45 43.897 58.861 52.288 363 HZ3 LYS 45 HZ3 LYS 45 44.051 57.517 51.383 364 H VAL 46 H VAL 46 45.150 61.904 45.280 365 HA VAL 46 HA VAL 46 45.884 59.623 43.530 366 HB VAL 46 HB VAL 46 46.707 62.574 43.574 367 HG11 VAL 46 HG11 VAL 46 47.282 60.534 41.438 368 HG12 VAL 46 HG12 VAL 46 47.596 62.311 41.420 369 HG13 VAL 46 HG13 VAL 46 48.490 61.284 42.526 370 HG21 VAL 46 HG21 VAL 46 44.838 61.043 41.679 371 HG22 VAL 46 HG22 VAL 46 44.322 62.186 42.927 372 HG23 VAL 46 HG23 VAL 46 45.279 62.764 41.560 373 H LYS 47 H LYS 47 48.080 59.056 43.355 374 HA LYS 47 HA LYS 47 49.977 59.984 45.414 375 HB2 LYS 47 HB2 LYS 47 49.164 57.855 46.283 376 HB3 LYS 47 HB3 LYS 47 49.197 57.119 44.697 377 HG2 LYS 47 HG2 LYS 47 50.960 56.218 46.089 378 HG3 LYS 47 HG3 LYS 47 51.611 57.008 44.667 379 HD2 LYS 47 HD2 LYS 47 52.154 59.041 46.113 380 HD3 LYS 47 HD3 LYS 47 51.579 58.101 47.504 381 HE2 LYS 47 HE2 LYS 47 53.234 56.275 46.681 382 HE3 LYS 47 HE3 LYS 47 53.920 57.494 45.605 383 HZ1 LYS 47 HZ1 LYS 47 53.793 57.807 48.509 384 HZ2 LYS 47 HZ2 LYS 47 55.044 57.198 47.723 385 HZ3 LYS 47 HZ3 LYS 47 54.589 58.781 47.473 386 H ILE 48 H ILE 48 51.673 60.839 44.593 387 HA ILE 48 HA ILE 48 52.964 59.687 42.172 388 HB ILE 48 HB ILE 48 52.958 62.419 43.398 389 HG12 ILE 48 HG12 ILE 48 51.493 61.626 41.468 390 HG13 ILE 48 HG13 ILE 48 52.477 63.090 41.178 391 HG21 ILE 48 HG21 ILE 48 55.240 61.236 41.824 392 HG22 ILE 48 HG22 ILE 48 54.861 62.968 41.686 393 HG23 ILE 48 HG23 ILE 48 55.335 62.301 43.243 394 HD11 ILE 48 HD11 ILE 48 53.217 60.316 40.151 395 HD12 ILE 48 HD12 ILE 48 52.380 61.592 39.235 396 HD13 ILE 48 HD13 ILE 48 54.034 61.859 39.821 397 HA PRO 49 HA PRO 49 56.238 58.397 45.111 398 HB2 PRO 49 HB2 PRO 49 57.563 56.852 43.234 399 HB3 PRO 49 HB3 PRO 49 56.201 56.240 44.232 400 HG2 PRO 49 HG2 PRO 49 56.219 57.255 41.394 401 HG3 PRO 49 HG3 PRO 49 55.322 55.851 42.070 402 HD2 PRO 49 HD2 PRO 49 54.155 58.240 41.579 403 HD3 PRO 49 HD3 PRO 49 53.662 57.270 43.002 404 H LYS 50 H LYS 50 58.573 58.455 44.908 405 HA LYS 50 HA LYS 50 59.827 60.138 42.906 406 HB2 LYS 50 HB2 LYS 50 58.891 61.144 45.569 407 HB3 LYS 50 HB3 LYS 50 60.441 61.743 45.019 408 HG2 LYS 50 HG2 LYS 50 58.683 61.870 42.743 409 HG3 LYS 50 HG3 LYS 50 57.745 62.495 44.102 410 HD2 LYS 50 HD2 LYS 50 59.285 64.280 44.431 411 HD3 LYS 50 HD3 LYS 50 60.493 63.527 43.355 412 HE2 LYS 50 HE2 LYS 50 58.734 63.636 41.501 413 HE3 LYS 50 HE3 LYS 50 57.763 64.633 42.574 414 HZ1 LYS 50 HZ1 LYS 50 60.533 65.265 41.717 415 HZ2 LYS 50 HZ2 LYS 50 59.158 65.948 41.150 416 HZ3 LYS 50 HZ3 LYS 50 59.551 66.195 42.672 417 H ASP 51 H ASP 51 61.419 58.839 42.623 418 HA ASP 51 HA ASP 51 63.169 57.209 44.139 419 HB2 ASP 51 HB2 ASP 51 62.926 57.409 41.627 420 HB3 ASP 51 HB3 ASP 51 63.739 58.985 41.756 421 H LYS 52 H LYS 52 65.604 57.556 44.419 422 HA LYS 52 HA LYS 52 66.278 59.702 46.073 423 HB2 LYS 52 HB2 LYS 52 68.605 59.118 45.641 424 HB3 LYS 52 HB3 LYS 52 67.604 57.702 45.964 425 HG2 LYS 52 HG2 LYS 52 68.613 56.788 44.156 426 HG3 LYS 52 HG3 LYS 52 67.570 57.823 43.174 427 HD2 LYS 52 HD2 LYS 52 69.304 59.491 42.971 428 HD3 LYS 52 HD3 LYS 52 70.318 58.667 44.174 429 HE2 LYS 52 HE2 LYS 52 70.406 56.646 42.695 430 HE3 LYS 52 HE3 LYS 52 69.394 57.473 41.512 431 HZ1 LYS 52 HZ1 LYS 52 71.519 57.727 40.731 432 HZ2 LYS 52 HZ2 LYS 52 71.351 59.157 41.481 433 HZ3 LYS 52 HZ3 LYS 52 72.222 57.905 42.116 434 H ASP 53 H ASP 53 66.154 59.645 42.555 435 HA ASP 53 HA ASP 53 67.365 62.267 42.295 436 HB2 ASP 53 HB2 ASP 53 67.377 60.104 40.733 437 HB3 ASP 53 HB3 ASP 53 65.810 60.720 40.209 438 H GLY 54 H GLY 54 64.336 61.409 43.355 439 HA2 GLY 54 HA2 GLY 54 62.383 62.486 43.603 440 HA3 GLY 54 HA3 GLY 54 63.046 63.925 42.806 441 H LYS 55 H LYS 55 62.651 60.591 41.517 442 HA LYS 55 HA LYS 55 60.816 61.659 39.419 443 HB2 LYS 55 HB2 LYS 55 63.114 60.838 38.765 444 HB3 LYS 55 HB3 LYS 55 62.510 59.182 39.124 445 HG2 LYS 55 HG2 LYS 55 62.275 59.406 36.796 446 HG3 LYS 55 HG3 LYS 55 60.663 59.603 37.449 447 HD2 LYS 55 HD2 LYS 55 60.902 61.209 35.794 448 HD3 LYS 55 HD3 LYS 55 61.078 62.148 37.285 449 HE2 LYS 55 HE2 LYS 55 63.565 61.948 37.109 450 HE3 LYS 55 HE3 LYS 55 63.417 61.181 35.546 451 HZ1 LYS 55 HZ1 LYS 55 62.176 63.309 34.873 452 HZ2 LYS 55 HZ2 LYS 55 62.723 63.947 36.257 453 HZ3 LYS 55 HZ3 LYS 55 63.765 63.437 35.144 454 HA PRO 56 HA PRO 56 57.947 58.738 41.010 455 HB2 PRO 56 HB2 PRO 56 56.014 58.844 39.013 456 HB3 PRO 56 HB3 PRO 56 56.181 60.084 40.309 457 HG2 PRO 56 HG2 PRO 56 57.158 60.124 37.486 458 HG3 PRO 56 HG3 PRO 56 56.527 61.512 38.466 459 HD2 PRO 56 HD2 PRO 56 59.251 61.131 38.060 460 HD3 PRO 56 HD3 PRO 56 58.572 61.873 39.507 461 H LYS 57 H LYS 57 60.099 57.852 39.019 462 HA LYS 57 HA LYS 57 60.726 55.824 37.912 463 HB2 LYS 57 HB2 LYS 57 58.695 54.690 39.862 464 HB3 LYS 57 HB3 LYS 57 60.053 53.829 39.140 465 HG2 LYS 57 HG2 LYS 57 61.089 54.233 41.062 466 HG3 LYS 57 HG3 LYS 57 61.346 55.894 40.463 467 HD2 LYS 57 HD2 LYS 57 59.271 56.613 41.577 468 HD3 LYS 57 HD3 LYS 57 58.993 54.942 42.130 469 HE2 LYS 57 HE2 LYS 57 61.620 56.255 42.781 470 HE3 LYS 57 HE3 LYS 57 60.159 56.781 43.659 471 HZ1 LYS 57 HZ1 LYS 57 59.758 54.602 44.359 472 HZ2 LYS 57 HZ2 LYS 57 60.958 53.974 43.468 473 HZ3 LYS 57 HZ3 LYS 57 61.349 54.880 44.712 474 H GLN 58 H GLN 58 58.333 57.295 36.722 475 HA GLN 58 HA GLN 58 56.876 57.111 35.135 476 HB2 GLN 58 HB2 GLN 58 58.344 54.598 34.375 477 HB3 GLN 58 HB3 GLN 58 57.007 55.356 33.482 478 HG2 GLN 58 HG2 GLN 58 58.656 57.495 33.634 479 HG3 GLN 58 HG3 GLN 58 59.879 56.251 33.887 480 HE21 GLN 58 HE22 GLN 58 57.559 57.706 31.840 481 HE22 GLN 58 HE21 GLN 58 57.575 56.637 30.512 482 H PHE 59 H PHE 59 55.942 56.337 37.672 483 HA PHE 59 HA PHE 59 53.551 54.893 36.944 484 HB2 PHE 59 HB2 PHE 59 53.625 52.976 37.934 485 HB3 PHE 59 HB3 PHE 59 55.301 53.089 37.431 486 HD1 PHE 59 HD1 PHE 59 52.893 52.956 40.164 487 HD2 PHE 59 HD2 PHE 59 57.062 53.434 39.200 488 HE1 PHE 59 HE1 PHE 59 53.457 52.754 42.563 489 HE2 PHE 59 HE2 PHE 59 57.617 53.336 41.613 490 HZ PHE 59 HZ PHE 59 55.839 52.912 43.291 491 H ALA 60 H ALA 60 52.053 54.809 38.778 492 HA ALA 60 HA ALA 60 52.363 56.640 41.039 493 HB1 ALA 60 HB1 ALA 60 50.586 57.233 38.660 494 HB2 ALA 60 HB2 ALA 60 50.437 58.031 40.263 495 HB3 ALA 60 HB3 ALA 60 51.901 58.252 39.319 496 H PHE 61 H PHE 61 49.994 56.803 42.104 497 HA PHE 61 HA PHE 61 48.192 54.547 41.413 498 HB2 PHE 61 HB2 PHE 61 49.422 55.137 44.129 499 HB3 PHE 61 HB3 PHE 61 47.788 54.517 44.015 500 HD1 PHE 61 HD1 PHE 61 47.444 52.112 43.130 501 HD2 PHE 61 HD2 PHE 61 51.332 53.751 44.075 502 HE1 PHE 61 HE1 PHE 61 48.365 49.827 43.429 503 HE2 PHE 61 HE2 PHE 61 52.237 51.465 44.278 504 HZ PHE 61 HZ PHE 61 50.745 49.494 43.921 505 H VAL 62 H VAL 62 45.998 54.861 42.017 506 HA VAL 62 HA VAL 62 45.239 57.569 42.976 507 HB VAL 62 HB VAL 62 44.066 56.238 40.491 508 HG11 VAL 62 HG11 VAL 62 43.045 58.658 40.355 509 HG12 VAL 62 HG12 VAL 62 42.325 57.509 41.482 510 HG13 VAL 62 HG13 VAL 62 43.482 58.751 42.069 511 HG21 VAL 62 HG21 VAL 62 44.954 58.343 39.359 512 HG22 VAL 62 HG22 VAL 62 45.833 58.686 40.862 513 HG23 VAL 62 HG23 VAL 62 46.218 57.232 39.882 514 H ASN 63 H ASN 63 43.612 57.448 44.508 515 HA ASN 63 HA ASN 63 42.435 54.829 45.178 516 HB2 ASN 63 HB2 ASN 63 43.487 56.605 46.787 517 HB3 ASN 63 HB3 ASN 63 41.922 57.408 46.622 518 HD21 ASN 63 HD22 ASN 63 43.664 54.522 47.731 519 HD22 ASN 63 HD21 ASN 63 42.376 53.868 48.681 520 H PHE 64 H PHE 64 40.071 54.462 45.167 521 HA PHE 64 HA PHE 64 38.458 56.249 43.480 522 HB2 PHE 64 HB2 PHE 64 38.320 54.878 41.612 523 HB3 PHE 64 HB3 PHE 64 39.987 55.224 41.843 524 HD1 PHE 64 HD1 PHE 64 41.357 53.171 43.226 525 HD2 PHE 64 HD2 PHE 64 37.645 52.847 41.075 526 HE1 PHE 64 HE1 PHE 64 41.809 50.747 42.755 527 HE2 PHE 64 HE2 PHE 64 38.303 50.572 40.300 528 HZ PHE 64 HZ PHE 64 40.453 49.590 41.048 529 H LYS 65 H LYS 65 36.292 54.928 42.848 530 HA LYS 65 HA LYS 65 35.445 54.407 45.612 531 HB2 LYS 65 HB2 LYS 65 34.804 56.396 44.482 532 HB3 LYS 65 HB3 LYS 65 33.924 55.528 43.238 533 HG2 LYS 65 HG2 LYS 65 32.446 54.644 45.192 534 HG3 LYS 65 HG3 LYS 65 33.324 55.817 46.204 535 HD2 LYS 65 HD2 LYS 65 32.698 57.596 44.477 536 HD3 LYS 65 HD3 LYS 65 31.653 56.392 43.724 537 HE2 LYS 65 HE2 LYS 65 30.409 56.165 45.917 538 HE3 LYS 65 HE3 LYS 65 31.402 57.477 46.567 539 HZ1 LYS 65 HZ1 LYS 65 29.227 58.184 45.703 540 HZ2 LYS 65 HZ2 LYS 65 30.420 58.949 44.989 541 HZ3 LYS 65 HZ3 LYS 65 29.663 57.735 44.184 542 H HIS 66 H HIS 66 36.454 52.213 45.124 543 HA HIS 66 HA HIS 66 36.213 49.962 44.870 544 HB2 HIS 66 HB2 HIS 66 34.778 50.581 46.814 545 HB3 HIS 66 HB3 HIS 66 33.356 50.500 45.758 546 HD2 HIS 66 HD2 HIS 66 36.463 48.484 46.790 547 HE1 HIS 66 HE1 HIS 66 33.539 45.594 45.706 548 HE2 HIS 66 HE2 HIS 66 35.950 45.942 46.458 549 H GLU 67 H GLU 67 36.301 51.147 42.466 550 HA GLU 67 HA GLU 67 33.977 50.380 40.879 551 HB2 GLU 67 HB2 GLU 67 35.147 52.611 40.570 552 HB3 GLU 67 HB3 GLU 67 36.472 51.745 39.777 553 HG2 GLU 67 HG2 GLU 67 34.921 50.880 38.103 554 HG3 GLU 67 HG3 GLU 67 33.585 51.711 38.926 555 H VAL 68 H VAL 68 34.609 48.014 41.602 556 HA VAL 68 HA VAL 68 36.991 46.896 40.408 557 HB VAL 68 HB VAL 68 36.444 44.798 41.491 558 HG11 VAL 68 HG11 VAL 68 36.107 47.267 43.226 559 HG12 VAL 68 HG12 VAL 68 36.606 45.653 43.788 560 HG13 VAL 68 HG13 VAL 68 37.632 46.542 42.651 561 HG21 VAL 68 HG21 VAL 68 34.050 44.696 41.293 562 HG22 VAL 68 HG22 VAL 68 34.558 44.596 42.986 563 HG23 VAL 68 HG23 VAL 68 33.839 46.110 42.340 564 H SER 69 H SER 69 33.680 46.541 39.218 565 HA SER 69 HA SER 69 34.506 44.432 37.346 566 HB2 SER 69 HB2 SER 69 31.961 46.077 37.208 567 HB3 SER 69 HB3 SER 69 32.292 44.487 36.492 568 HG SER 69 HG SER 69 31.187 44.451 38.475 569 H VAL 70 H VAL 70 36.378 45.700 36.811 570 HA VAL 70 HA VAL 70 37.703 46.695 35.245 571 HB VAL 70 HB VAL 70 35.181 47.506 33.762 572 HG11 VAL 70 HG11 VAL 70 37.014 48.771 32.930 573 HG12 VAL 70 HG12 VAL 70 38.061 47.323 32.861 574 HG13 VAL 70 HG13 VAL 70 36.646 47.489 31.784 575 HG21 VAL 70 HG21 VAL 70 35.403 44.956 34.054 576 HG22 VAL 70 HG22 VAL 70 35.270 45.626 32.432 577 HG23 VAL 70 HG23 VAL 70 36.859 45.089 33.039 578 HA PRO 71 HA PRO 71 37.454 50.884 37.098 579 HB2 PRO 71 HB2 PRO 71 39.980 51.764 36.508 580 HB3 PRO 71 HB3 PRO 71 39.624 50.701 37.901 581 HG2 PRO 71 HG2 PRO 71 40.713 50.013 35.169 582 HG3 PRO 71 HG3 PRO 71 41.198 49.324 36.739 583 HD2 PRO 71 HD2 PRO 71 39.516 48.056 35.002 584 HD3 PRO 71 HD3 PRO 71 39.344 47.871 36.791 585 H TYR 72 H TYR 72 36.674 52.710 35.981 586 HA TYR 72 HA TYR 72 36.223 52.379 33.243 587 HB2 TYR 72 HB2 TYR 72 34.861 53.638 34.899 588 HB3 TYR 72 HB3 TYR 72 36.043 54.942 34.819 589 HD1 TYR 72 HD2 TYR 72 34.137 52.753 32.349 590 HD2 TYR 72 HD1 TYR 72 35.590 56.674 33.377 591 HE1 TYR 72 HE2 TYR 72 33.470 53.598 30.092 592 HE2 TYR 72 HE1 TYR 72 34.670 57.570 31.260 593 HH TYR 72 HH TYR 72 33.651 57.009 29.321 594 H ALA 73 H ALA 73 38.787 54.290 34.804 595 HA ALA 73 HA ALA 73 39.825 55.751 32.642 596 HB1 ALA 73 HB1 ALA 73 41.432 54.351 34.774 597 HB2 ALA 73 HB2 ALA 73 41.807 55.830 33.817 598 HB3 ALA 73 HB3 ALA 73 40.564 55.869 35.084 599 H MET 74 H MET 74 40.288 52.203 33.329 600 HA MET 74 HA MET 74 42.546 51.840 31.601 601 HB2 MET 74 HB2 MET 74 42.042 49.537 31.432 602 HB3 MET 74 HB3 MET 74 41.833 50.014 33.115 603 HG2 MET 74 HG2 MET 74 39.967 48.687 32.869 604 HG3 MET 74 HG3 MET 74 39.221 50.101 32.138 605 HE1 MET 74 HE1 MET 74 40.731 46.455 29.675 606 HE2 MET 74 HE2 MET 74 41.759 47.286 30.837 607 HE3 MET 74 HE3 MET 74 40.334 46.350 31.396 608 H ASN 75 H ASN 75 39.275 52.326 30.999 609 HA ASN 75 HA ASN 75 39.342 51.587 28.124 610 HB2 ASN 75 HB2 ASN 75 37.682 50.599 29.544 611 HB3 ASN 75 HB3 ASN 75 37.183 52.123 30.238 612 HD21 ASN 75 HD22 ASN 75 36.041 53.759 28.960 613 HD22 ASN 75 HD21 ASN 75 35.223 53.188 27.502 614 H LEU 76 H LEU 76 38.583 54.340 30.273 615 HA LEU 76 HA LEU 76 37.848 56.086 28.240 616 HB2 LEU 76 HB2 LEU 76 37.560 56.122 30.835 617 HB3 LEU 76 HB3 LEU 76 39.120 56.952 30.830 618 HG LEU 76 HG LEU 76 36.426 57.685 29.632 619 HD11 LEU 76 HD11 LEU 76 36.832 58.223 31.884 620 HD12 LEU 76 HD12 LEU 76 38.333 59.119 31.491 621 HD13 LEU 76 HD13 LEU 76 36.746 59.695 30.879 622 HD21 LEU 76 HD21 LEU 76 37.965 58.305 27.802 623 HD22 LEU 76 HD22 LEU 76 37.299 59.702 28.613 624 HD23 LEU 76 HD23 LEU 76 38.980 59.194 28.969 625 H LEU 77 H LEU 77 40.984 55.990 30.057 626 HA LEU 77 HA LEU 77 42.235 57.830 28.088 627 HB2 LEU 77 HB2 LEU 77 43.491 56.848 30.667 628 HB3 LEU 77 HB3 LEU 77 44.003 58.159 29.605 629 HG LEU 77 HG LEU 77 43.322 59.132 31.462 630 HD11 LEU 77 HD11 LEU 77 42.230 60.501 29.732 631 HD12 LEU 77 HD12 LEU 77 40.965 59.304 29.499 632 HD13 LEU 77 HD13 LEU 77 41.030 60.293 30.980 633 HD21 LEU 77 HD21 LEU 77 41.028 57.237 31.685 634 HD22 LEU 77 HD22 LEU 77 42.447 57.522 32.721 635 HD23 LEU 77 HD23 LEU 77 41.187 58.749 32.650 636 H ASN 78 H ASN 78 43.638 55.033 29.792 637 HA ASN 78 HA ASN 78 45.606 53.925 28.930 638 HB2 ASN 78 HB2 ASN 78 43.814 52.481 29.412 639 HB3 ASN 78 HB3 ASN 78 42.875 52.977 28.041 640 HD21 ASN 78 HD22 ASN 78 45.719 51.075 28.952 641 HD22 ASN 78 HD21 ASN 78 45.831 50.166 27.436 642 H GLY 79 H GLY 79 46.696 55.633 27.716 643 HA2 GLY 79 HA2 GLY 79 48.112 55.215 25.651 644 HA3 GLY 79 HA3 GLY 79 46.645 55.096 24.738 645 H ILE 80 H ILE 80 46.889 57.600 27.143 646 HA ILE 80 HA ILE 80 47.149 59.809 25.118 647 HB ILE 80 HB ILE 80 45.307 60.992 26.042 648 HG12 ILE 80 HG12 ILE 80 43.977 59.355 27.859 649 HG13 ILE 80 HG13 ILE 80 45.665 59.258 28.361 650 HG21 ILE 80 HG21 ILE 80 44.367 58.114 25.934 651 HG22 ILE 80 HG22 ILE 80 43.500 59.563 25.321 652 HG23 ILE 80 HG23 ILE 80 44.903 58.917 24.467 653 HD11 ILE 80 HD11 ILE 80 44.186 61.892 27.844 654 HD12 ILE 80 HD12 ILE 80 44.269 61.133 29.434 655 HD13 ILE 80 HD13 ILE 80 45.752 61.703 28.658 656 H LYS 81 H LYS 81 47.674 61.913 26.019 657 HA LYS 81 HA LYS 81 48.836 62.184 28.584 658 HB2 LYS 81 HB2 LYS 81 51.268 62.183 27.666 659 HB3 LYS 81 HB3 LYS 81 50.483 60.683 28.141 660 HG2 LYS 81 HG2 LYS 81 51.759 60.340 26.136 661 HG3 LYS 81 HG3 LYS 81 50.039 60.143 25.761 662 HD2 LYS 81 HD2 LYS 81 49.949 62.262 24.659 663 HD3 LYS 81 HD3 LYS 81 51.629 62.647 25.144 664 HE2 LYS 81 HE2 LYS 81 52.434 60.671 23.882 665 HE3 LYS 81 HE3 LYS 81 50.780 60.180 23.553 666 HZ1 LYS 81 HZ1 LYS 81 50.485 62.330 22.399 667 HZ2 LYS 81 HZ2 LYS 81 52.062 62.611 22.500 668 HZ3 LYS 81 HZ3 LYS 81 51.522 61.352 21.613 669 H LEU 82 H LEU 82 50.800 63.985 28.248 670 HA LEU 82 HA LEU 82 50.089 66.084 26.255 671 HB2 LEU 82 HB2 LEU 82 49.997 66.406 29.282 672 HB3 LEU 82 HB3 LEU 82 49.976 67.785 28.185 673 HG LEU 82 HG LEU 82 47.844 65.657 28.412 674 HD11 LEU 82 HD11 LEU 82 47.695 68.622 29.123 675 HD12 LEU 82 HD12 LEU 82 46.544 67.318 29.490 676 HD13 LEU 82 HD13 LEU 82 48.127 67.366 30.289 677 HD21 LEU 82 HD21 LEU 82 47.819 66.460 26.103 678 HD22 LEU 82 HD22 LEU 82 46.495 67.214 26.991 679 HD23 LEU 82 HD23 LEU 82 47.964 68.149 26.635 680 H TYR 83 H TYR 83 52.613 64.584 28.042 681 HA TYR 83 HA TYR 83 54.612 66.701 27.347 682 HB2 TYR 83 HB2 TYR 83 54.188 64.659 29.526 683 HB3 TYR 83 HB3 TYR 83 55.804 64.959 29.112 684 HD1 TYR 83 HD1 TYR 83 56.180 67.856 29.033 685 HD2 TYR 83 HD2 TYR 83 53.260 65.584 31.229 686 HE1 TYR 83 HE1 TYR 83 56.271 69.523 30.902 687 HE2 TYR 83 HE2 TYR 83 53.291 67.315 33.058 688 HH TYR 83 HH TYR 83 55.346 70.119 32.908 689 H GLY 84 H GLY 84 54.114 63.171 27.354 690 HA2 GLY 84 HA2 GLY 84 54.799 62.802 24.665 691 HA3 GLY 84 HA3 GLY 84 56.251 62.483 25.578 692 H ARG 85 H ARG 85 54.755 61.185 27.965 693 HA ARG 85 HA ARG 85 54.630 58.517 26.642 694 HB2 ARG 85 HB2 ARG 85 55.092 59.038 29.570 695 HB3 ARG 85 HB3 ARG 85 55.057 57.534 28.669 696 HG2 ARG 85 HG2 ARG 85 57.311 57.836 28.817 697 HG3 ARG 85 HG3 ARG 85 56.932 58.424 27.205 698 HD2 ARG 85 HD2 ARG 85 56.918 60.771 28.148 699 HD3 ARG 85 HD3 ARG 85 57.589 60.167 29.649 700 HE ARG 85 HE ARG 85 58.963 60.722 27.197 701 HH11 ARG 85 HH11 ARG 85 59.217 58.073 29.610 702 HH12 ARG 85 HH12 ARG 85 60.955 58.310 29.622 703 HH21 ARG 85 HH21 ARG 85 61.254 60.766 27.425 704 HH22 ARG 85 HH22 ARG 85 61.972 59.504 28.374 705 HA PRO 86 HA PRO 86 50.206 58.748 27.365 706 HB2 PRO 86 HB2 PRO 86 49.561 56.347 26.341 707 HB3 PRO 86 HB3 PRO 86 50.055 57.800 25.331 708 HG2 PRO 86 HG2 PRO 86 51.815 55.518 26.197 709 HG3 PRO 86 HG3 PRO 86 51.546 56.113 24.517 710 HD2 PRO 86 HD2 PRO 86 53.607 57.048 25.852 711 HD3 PRO 86 HD3 PRO 86 52.552 58.257 25.062 712 H ILE 87 H ILE 87 49.079 58.364 29.138 713 HA ILE 87 HA ILE 87 50.138 56.783 31.257 714 HB ILE 87 HB ILE 87 47.518 58.203 30.725 715 HG12 ILE 87 HG12 ILE 87 49.312 59.631 31.260 716 HG13 ILE 87 HG13 ILE 87 48.162 59.642 32.601 717 HG21 ILE 87 HG21 ILE 87 47.933 56.597 33.257 718 HG22 ILE 87 HG22 ILE 87 46.691 57.831 32.953 719 HG23 ILE 87 HG23 ILE 87 46.719 56.363 31.963 720 HD11 ILE 87 HD11 ILE 87 50.713 58.025 32.726 721 HD12 ILE 87 HD12 ILE 87 50.577 59.738 33.171 722 HD13 ILE 87 HD13 ILE 87 49.614 58.518 34.044 723 H LYS 88 H LYS 88 50.087 54.768 31.691 724 HA LYS 88 HA LYS 88 48.098 53.031 30.371 725 HB2 LYS 88 HB2 LYS 88 50.438 52.533 29.704 726 HB3 LYS 88 HB3 LYS 88 50.895 52.279 31.387 727 HG2 LYS 88 HG2 LYS 88 50.537 50.179 30.164 728 HG3 LYS 88 HG3 LYS 88 49.500 50.373 31.588 729 HD2 LYS 88 HD2 LYS 88 47.600 50.911 30.293 730 HD3 LYS 88 HD3 LYS 88 48.513 51.004 28.772 731 HE2 LYS 88 HE2 LYS 88 48.681 48.512 30.463 732 HE3 LYS 88 HE3 LYS 88 47.147 48.815 29.631 733 HZ1 LYS 88 HZ1 LYS 88 48.926 47.406 28.490 734 HZ2 LYS 88 HZ2 LYS 88 48.195 48.522 27.583 735 HZ3 LYS 88 HZ3 LYS 88 49.683 48.793 28.101 736 H ILE 89 H ILE 89 46.420 52.620 31.716 737 HA ILE 89 HA ILE 89 46.771 52.454 34.665 738 HB ILE 89 HB ILE 89 44.250 52.146 32.994 739 HG12 ILE 89 HG12 ILE 89 43.762 54.454 34.208 740 HG13 ILE 89 HG13 ILE 89 45.507 54.641 34.238 741 HG21 ILE 89 HG21 ILE 89 44.589 52.756 35.933 742 HG22 ILE 89 HG22 ILE 89 43.084 52.273 35.071 743 HG23 ILE 89 HG23 ILE 89 44.342 51.102 35.353 744 HD11 ILE 89 HD11 ILE 89 43.738 54.374 31.786 745 HD12 ILE 89 HD12 ILE 89 44.569 55.820 32.386 746 HD13 ILE 89 HD13 ILE 89 45.523 54.481 31.734 747 H GLN 90 H GLN 90 46.750 50.582 35.846 748 HA GLN 90 HA GLN 90 46.167 48.007 34.508 749 HB2 GLN 90 HB2 GLN 90 48.684 48.743 36.009 750 HB3 GLN 90 HB3 GLN 90 48.146 47.069 35.766 751 HG2 GLN 90 HG2 GLN 90 48.730 49.100 33.573 752 HG3 GLN 90 HG3 GLN 90 49.938 47.955 34.275 753 HE21 GLN 90 HE22 GLN 90 46.810 48.081 32.528 754 HE22 GLN 90 HE21 GLN 90 47.070 46.505 31.776 755 H PHE 91 H PHE 91 45.515 46.475 35.716 756 HA PHE 91 HA PHE 91 45.020 46.617 38.592 757 HB2 PHE 91 HB2 PHE 91 42.735 47.166 38.650 758 HB3 PHE 91 HB3 PHE 91 43.279 48.203 37.352 759 HD1 PHE 91 HD1 PHE 91 42.935 47.544 34.935 760 HD2 PHE 91 HD2 PHE 91 41.118 45.470 38.247 761 HE1 PHE 91 HE1 PHE 91 41.476 46.333 33.364 762 HE2 PHE 91 HE2 PHE 91 39.508 44.396 36.684 763 HZ PHE 91 HZ PHE 91 39.682 44.796 34.257 764 H ARG 92 H ARG 92 43.566 44.795 39.404 765 HA ARG 92 HA ARG 92 43.603 42.341 37.721 766 HB2 ARG 92 HB2 ARG 92 45.553 42.485 39.354 767 HB3 ARG 92 HB3 ARG 92 44.387 42.452 40.679 768 HG2 ARG 92 HG2 ARG 92 44.404 40.297 38.565 769 HG3 ARG 92 HG3 ARG 92 45.623 40.273 39.849 770 HD2 ARG 92 HD2 ARG 92 44.146 39.870 41.556 771 HD3 ARG 92 HD3 ARG 92 42.734 40.417 40.677 772 HE ARG 92 HE ARG 92 44.012 37.734 40.636 773 HH11 ARG 92 HH11 ARG 92 41.767 39.834 38.877 774 HH12 ARG 92 HH12 ARG 92 41.035 38.463 38.129 775 HH21 ARG 92 HH21 ARG 92 42.961 36.116 39.726 776 HH22 ARG 92 HH22 ARG 92 41.517 36.394 38.777 777 H SER 93 H SER 93 42.133 43.722 40.673 778 HA SER 93 HA SER 93 40.216 43.297 41.755 779 HB2 SER 93 HB2 SER 93 39.390 42.973 38.881 780 HB3 SER 93 HB3 SER 93 38.209 42.696 40.174 781 HG SER 93 HG SER 93 38.317 44.809 39.499 782 H GLY 94 H GLY 94 41.360 41.635 42.766 783 HA2 GLY 94 HA2 GLY 94 39.688 39.568 43.591 784 HA3 GLY 94 HA3 GLY 94 40.766 38.831 42.411 785 H SER 95 H SER 95 40.387 39.501 45.632 786 HA SER 95 HA SER 95 42.968 38.151 46.163 787 HB2 SER 95 HB2 SER 95 42.140 40.403 47.994 788 HB3 SER 95 HB3 SER 95 43.515 39.295 48.157 789 HG SER 95 HG SER 95 43.259 41.488 46.754 790 H SER 96 H SER 96 40.597 36.870 45.802 791 HA SER 96 HA SER 96 39.755 35.995 48.490 792 HB2 SER 96 HB2 SER 96 37.373 36.235 47.898 793 HB3 SER 96 HB3 SER 96 38.234 37.766 48.131 794 HG SER 96 HG SER 96 36.966 37.779 46.394 795 H HIS 97 H HIS 97 39.242 33.870 48.474 796 HA HIS 97 HA HIS 97 39.657 32.160 46.211 797 HB2 HIS 97 HB2 HIS 97 38.460 31.690 48.970 798 HB3 HIS 97 HB3 HIS 97 38.434 30.456 47.728 799 HD2 HIS 97 HD2 HIS 97 41.285 30.458 46.488 800 HE1 HIS 97 HE1 HIS 97 42.836 30.330 50.437 801 HE2 HIS 97 HE2 HIS 97 43.367 30.099 47.956 802 H ALA 98 H ALA 98 36.727 33.606 47.597 803 HA ALA 98 HA ALA 98 35.430 33.415 45.019 804 HB1 ALA 98 HB1 ALA 98 33.443 32.226 45.723 805 HB2 ALA 98 HB2 ALA 98 34.855 31.189 45.968 806 HB3 ALA 98 HB3 ALA 98 34.089 31.978 47.358 807 HA PRO 99 HA PRO 99 33.524 37.148 46.530 808 HB2 PRO 99 HB2 PRO 99 31.064 36.246 45.026 809 HB3 PRO 99 HB3 PRO 99 31.854 37.847 45.050 810 HG2 PRO 99 HG2 PRO 99 32.326 36.188 42.955 811 HG3 PRO 99 HG3 PRO 99 33.668 37.094 43.713 812 HD2 PRO 99 HD2 PRO 99 32.862 34.204 44.175 813 HD3 PRO 99 HD3 PRO 99 34.468 34.901 43.843 814 H GLN 100 H GLN 100 31.671 37.956 47.654 815 HA GLN 100 HA GLN 100 31.013 36.258 49.996 816 HB2 GLN 100 HB2 GLN 100 30.218 39.127 49.341 817 HB3 GLN 100 HB3 GLN 100 29.881 38.257 50.837 818 HG2 GLN 100 HG2 GLN 100 32.523 38.185 51.009 819 HG3 GLN 100 HG3 GLN 100 32.394 39.484 49.805 820 HE21 GLN 100 HE22 GLN 100 31.783 38.736 53.239 821 HE22 GLN 100 HE21 GLN 100 31.121 40.336 53.583 822 H ASP 101 H ASP 101 29.141 38.318 47.810 823 HA ASP 101 HA ASP 101 26.684 36.690 48.135 824 HB2 ASP 101 HB2 ASP 101 27.231 38.677 49.860 825 HB3 ASP 101 HB3 ASP 101 26.734 39.700 48.573 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 25.716 20.014 34.877 2 H2 GLY 1 H2 GLY 1 26.200 20.106 33.303 3 H3 GLY 1 H3 GLY 1 26.368 18.711 34.121 4 HA2 GLY 1 HA2 GLY 1 24.174 18.185 34.122 5 HA3 GLY 1 HA3 GLY 1 23.746 19.876 33.776 6 H SER 2 H SER 2 23.662 20.533 31.599 7 HA SER 2 HA SER 2 25.074 19.014 29.501 8 HB2 SER 2 HB2 SER 2 22.174 19.711 28.919 9 HB3 SER 2 HB3 SER 2 23.378 18.940 27.887 10 HG SER 2 HG SER 2 23.081 17.591 30.204 11 H GLU 3 H GLU 3 25.817 21.343 30.727 12 HA GLU 3 HA GLU 3 24.603 23.656 29.405 13 HB2 GLU 3 HB2 GLU 3 26.703 23.659 31.568 14 HB3 GLU 3 HB3 GLU 3 25.863 25.044 30.863 15 HG2 GLU 3 HG2 GLU 3 24.644 24.718 32.801 16 HG3 GLU 3 HG3 GLU 3 23.672 23.885 31.594 17 H PHE 4 H PHE 4 25.266 24.056 27.444 18 HA PHE 4 HA PHE 4 28.153 24.621 26.866 19 HB2 PHE 4 HB2 PHE 4 27.136 22.448 26.022 20 HB3 PHE 4 HB3 PHE 4 26.071 23.422 25.024 21 HD1 PHE 4 HD2 PHE 4 29.741 23.015 25.872 22 HD2 PHE 4 HD1 PHE 4 26.793 23.905 22.849 23 HE1 PHE 4 HE2 PHE 4 31.487 22.904 24.152 24 HE2 PHE 4 HE1 PHE 4 28.553 23.742 21.099 25 HZ PHE 4 HZ PHE 4 30.893 23.205 21.741 26 H GLU 5 H GLU 5 24.768 25.430 26.009 27 HA GLU 5 HA GLU 5 25.555 27.890 24.613 28 HB2 GLU 5 HB2 GLU 5 22.835 26.693 25.268 29 HB3 GLU 5 HB3 GLU 5 23.090 28.151 24.301 30 HG2 GLU 5 HG2 GLU 5 24.078 26.971 22.514 31 HG3 GLU 5 HG3 GLU 5 24.239 25.480 23.463 32 H LEU 6 H LEU 6 25.647 27.395 27.798 33 HA LEU 6 HA LEU 6 24.095 29.671 28.771 34 HB2 LEU 6 HB2 LEU 6 25.936 27.632 29.964 35 HB3 LEU 6 HB3 LEU 6 25.587 29.113 30.844 36 HG LEU 6 HG LEU 6 24.198 27.212 31.465 37 HD11 LEU 6 HD11 LEU 6 22.055 28.431 31.575 38 HD12 LEU 6 HD12 LEU 6 23.407 29.538 31.848 39 HD13 LEU 6 HD13 LEU 6 22.565 29.546 30.300 40 HD21 LEU 6 HD21 LEU 6 22.409 26.364 30.120 41 HD22 LEU 6 HD22 LEU 6 22.831 27.428 28.759 42 HD23 LEU 6 HD23 LEU 6 23.953 26.153 29.267 43 H ARG 7 H ARG 7 24.662 31.628 29.037 44 HA ARG 7 HA ARG 7 27.230 32.800 28.368 45 HB2 ARG 7 HB2 ARG 7 24.620 33.934 29.494 46 HB3 ARG 7 HB3 ARG 7 26.012 34.918 29.096 47 HG2 ARG 7 HG2 ARG 7 25.057 35.115 27.061 48 HG3 ARG 7 HG3 ARG 7 25.762 33.526 26.761 49 HD2 ARG 7 HD2 ARG 7 23.502 33.403 26.043 50 HD3 ARG 7 HD3 ARG 7 23.571 32.507 27.555 51 HE ARG 7 HE ARG 7 22.753 34.866 28.538 52 HH11 ARG 7 HH11 ARG 7 21.574 33.170 25.550 53 HH12 ARG 7 HH12 ARG 7 20.036 33.969 25.765 54 HH21 ARG 7 HH21 ARG 7 20.705 35.705 28.493 55 HH22 ARG 7 HH22 ARG 7 19.612 35.349 27.139 56 H ARG 8 H ARG 8 28.639 33.746 29.683 57 HA ARG 8 HA ARG 8 28.730 33.301 32.598 58 HB2 ARG 8 HB2 ARG 8 30.738 32.111 32.646 59 HB3 ARG 8 HB3 ARG 8 29.713 31.228 31.535 60 HG2 ARG 8 HG2 ARG 8 30.987 32.148 29.628 61 HG3 ARG 8 HG3 ARG 8 32.020 33.052 30.711 62 HD2 ARG 8 HD2 ARG 8 32.372 30.710 31.956 63 HD3 ARG 8 HD3 ARG 8 31.770 30.031 30.466 64 HE ARG 8 HE ARG 8 33.684 31.507 29.399 65 HH11 ARG 8 HH11 ARG 8 34.032 29.766 32.447 66 HH12 ARG 8 HH12 ARG 8 35.741 30.167 32.540 67 HH21 ARG 8 HH21 ARG 8 35.885 31.907 29.678 68 HH22 ARG 8 HH22 ARG 8 36.671 31.487 31.177 69 H GLN 9 H GLN 9 31.131 34.305 33.216 70 HA GLN 9 HA GLN 9 31.698 36.596 31.387 71 HB2 GLN 9 HB2 GLN 9 32.572 36.310 34.246 72 HB3 GLN 9 HB3 GLN 9 32.825 37.686 33.162 73 HG2 GLN 9 HG2 GLN 9 30.314 38.039 33.078 74 HG3 GLN 9 HG3 GLN 9 30.156 36.752 34.280 75 HE21 GLN 9 HE22 GLN 9 30.962 37.224 36.498 76 HE22 GLN 9 HE21 GLN 9 31.396 38.857 36.931 77 H GLN 10 H GLN 10 34.135 37.129 31.314 78 HA GLN 10 HA GLN 10 35.598 34.806 30.524 79 HB2 GLN 10 HB2 GLN 10 37.315 36.345 29.843 80 HB3 GLN 10 HB3 GLN 10 35.760 36.980 29.359 81 HG2 GLN 10 HG2 GLN 10 35.921 38.486 31.516 82 HG3 GLN 10 HG3 GLN 10 37.564 37.923 31.653 83 HE21 GLN 10 HE22 GLN 10 35.333 39.886 29.783 84 HE22 GLN 10 HE21 GLN 10 36.504 40.542 28.647 85 H ALA 11 H ALA 11 35.329 36.140 33.645 86 HA ALA 11 HA ALA 11 37.626 34.858 34.806 87 HB1 ALA 11 HB1 ALA 11 38.785 37.052 35.372 88 HB2 ALA 11 HB2 ALA 11 38.779 36.776 33.622 89 HB3 ALA 11 HB3 ALA 11 37.597 37.883 34.344 90 H LEU 12 H LEU 12 37.946 35.833 37.081 91 HA LEU 12 HA LEU 12 35.478 37.014 38.244 92 HB2 LEU 12 HB2 LEU 12 35.870 35.583 40.227 93 HB3 LEU 12 HB3 LEU 12 35.424 34.756 38.757 94 HG LEU 12 HG LEU 12 37.994 34.328 38.390 95 HD11 LEU 12 HD11 LEU 12 38.138 34.632 41.396 96 HD12 LEU 12 HD12 LEU 12 39.413 34.176 40.233 97 HD13 LEU 12 HD13 LEU 12 38.810 35.818 40.266 98 HD21 LEU 12 HD21 LEU 12 36.567 32.795 40.569 99 HD22 LEU 12 HD22 LEU 12 36.335 32.605 38.820 100 HD23 LEU 12 HD23 LEU 12 37.922 32.276 39.533 101 H ALA 13 H ALA 13 35.614 38.505 39.754 102 HA ALA 13 HA ALA 13 38.227 39.784 40.216 103 HB1 ALA 13 HB1 ALA 13 35.960 40.760 39.205 104 HB2 ALA 13 HB2 ALA 13 35.524 40.894 40.915 105 HB3 ALA 13 HB3 ALA 13 36.960 41.750 40.308 106 H GLU 14 H GLU 14 38.493 40.943 42.290 107 HA GLU 14 HA GLU 14 36.551 40.467 44.343 108 HB2 GLU 14 HB2 GLU 14 38.288 38.658 44.654 109 HB3 GLU 14 HB3 GLU 14 39.440 39.902 45.164 110 HG2 GLU 14 HG2 GLU 14 37.854 40.551 46.998 111 HG3 GLU 14 HG3 GLU 14 36.790 39.258 46.478 112 H ALA 15 H ALA 15 36.838 42.019 46.134 113 HA ALA 15 HA ALA 15 36.812 44.618 45.127 114 HB1 ALA 15 HB1 ALA 15 36.704 43.341 47.847 115 HB2 ALA 15 HB2 ALA 15 36.684 45.113 47.705 116 HB3 ALA 15 HB3 ALA 15 35.424 44.168 46.923 117 H ASP 16 H ASP 16 38.066 46.357 45.302 118 HA ASP 16 HA ASP 16 40.319 46.607 46.970 119 HB2 ASP 16 HB2 ASP 16 41.252 45.264 44.948 120 HB3 ASP 16 HB3 ASP 16 41.046 46.740 44.033 121 H ARG 17 H ARG 17 40.719 48.834 47.228 122 HA ARG 17 HA ARG 17 38.838 50.794 46.043 123 HB2 ARG 17 HB2 ARG 17 40.558 50.458 48.503 124 HB3 ARG 17 HB3 ARG 17 40.206 52.092 48.049 125 HG2 ARG 17 HG2 ARG 17 38.021 49.997 48.387 126 HG3 ARG 17 HG3 ARG 17 38.650 50.928 49.737 127 HD2 ARG 17 HD2 ARG 17 37.264 52.050 47.251 128 HD3 ARG 17 HD3 ARG 17 36.567 52.044 48.849 129 HE ARG 17 HE ARG 17 38.416 53.954 47.749 130 HH11 ARG 17 HH11 ARG 17 37.140 52.673 50.780 131 HH12 ARG 17 HH12 ARG 17 37.772 53.996 51.729 132 HH21 ARG 17 HH21 ARG 17 39.424 55.469 49.143 133 HH22 ARG 17 HH22 ARG 17 39.123 55.420 50.859 134 H THR 18 H THR 18 42.078 49.985 45.467 135 HA THR 18 HA THR 18 42.744 52.756 44.500 136 HB THR 18 HB THR 18 44.815 50.684 44.937 137 HG1 THR 18 HG1 THR 18 44.267 50.639 46.921 138 HG21 THR 18 HG21 THR 18 45.570 52.931 44.071 139 HG22 THR 18 HG22 THR 18 44.792 53.701 45.480 140 HG23 THR 18 HG23 THR 18 46.186 52.644 45.698 141 H LEU 19 H LEU 19 44.176 52.769 42.613 142 HA LEU 19 HA LEU 19 43.869 50.541 40.653 143 HB2 LEU 19 HB2 LEU 19 42.378 52.630 40.361 144 HB3 LEU 19 HB3 LEU 19 43.866 53.561 40.267 145 HG LEU 19 HG LEU 19 44.487 52.463 38.192 146 HD11 LEU 19 HD11 LEU 19 41.761 51.051 38.402 147 HD12 LEU 19 HD12 LEU 19 42.838 50.976 37.004 148 HD13 LEU 19 HD13 LEU 19 43.344 50.251 38.525 149 HD21 LEU 19 HD21 LEU 19 43.201 54.496 37.986 150 HD22 LEU 19 HD22 LEU 19 42.535 53.352 36.802 151 HD23 LEU 19 HD23 LEU 19 41.685 53.637 38.331 152 H PHE 20 H PHE 20 46.003 49.859 39.871 153 HA PHE 20 HA PHE 20 48.360 51.578 40.313 154 HB2 PHE 20 HB2 PHE 20 48.721 49.234 40.480 155 HB3 PHE 20 HB3 PHE 20 48.094 48.972 38.840 156 HD1 PHE 20 HD2 PHE 20 50.580 51.221 40.592 157 HD2 PHE 20 HD1 PHE 20 49.774 48.793 37.122 158 HE1 PHE 20 HE2 PHE 20 52.944 51.444 39.882 159 HE2 PHE 20 HE1 PHE 20 52.074 49.197 36.316 160 HZ PHE 20 HZ PHE 20 53.705 50.428 37.761 161 H VAL 21 H VAL 21 49.406 52.838 38.869 162 HA VAL 21 HA VAL 21 48.605 52.800 36.033 163 HB VAL 21 HB VAL 21 49.082 55.394 37.576 164 HG11 VAL 21 HG11 VAL 21 47.858 54.848 34.843 165 HG12 VAL 21 HG12 VAL 21 48.233 56.439 35.530 166 HG13 VAL 21 HG13 VAL 21 49.555 55.343 35.062 167 HG21 VAL 21 HG21 VAL 21 46.894 54.640 38.322 168 HG22 VAL 21 HG22 VAL 21 46.632 55.849 37.060 169 HG23 VAL 21 HG23 VAL 21 46.468 54.129 36.665 170 H GLY 22 H GLY 22 50.312 52.558 34.792 171 HA2 GLY 22 HA2 GLY 22 53.016 53.539 35.642 172 HA3 GLY 22 HA3 GLY 22 52.847 52.032 34.809 173 H ASN 23 H ASN 23 54.356 53.277 33.476 174 HA ASN 23 HA ASN 23 55.028 54.226 31.556 175 HB2 ASN 23 HB2 ASN 23 52.737 52.989 30.812 176 HB3 ASN 23 HB3 ASN 23 52.230 54.639 30.517 177 HD21 ASN 23 HD21 ASN 23 52.142 54.563 28.221 178 HD22 ASN 23 HD22 ASN 23 53.605 54.281 27.273 179 H LEU 24 H LEU 24 54.225 55.788 33.890 180 HA LEU 24 HA LEU 24 53.069 58.314 33.221 181 HB2 LEU 24 HB2 LEU 24 55.072 57.595 35.410 182 HB3 LEU 24 HB3 LEU 24 54.373 59.161 35.127 183 HG LEU 24 HG LEU 24 53.500 57.451 36.968 184 HD11 LEU 24 HD11 LEU 24 51.695 59.190 35.285 185 HD12 LEU 24 HD12 LEU 24 51.224 58.483 36.851 186 HD13 LEU 24 HD13 LEU 24 52.551 59.637 36.798 187 HD21 LEU 24 HD21 LEU 24 52.902 55.701 35.247 188 HD22 LEU 24 HD22 LEU 24 51.579 56.161 36.351 189 HD23 LEU 24 HD23 LEU 24 51.612 56.766 34.678 190 H GLU 25 H GLU 25 53.859 60.110 32.343 191 HA GLU 25 HA GLU 25 56.317 60.291 31.151 192 HB2 GLU 25 HB2 GLU 25 54.036 62.087 32.019 193 HB3 GLU 25 HB3 GLU 25 55.528 62.968 31.813 194 HG2 GLU 25 HG2 GLU 25 55.502 62.823 29.632 195 HG3 GLU 25 HG3 GLU 25 55.069 61.183 29.516 196 H THR 26 H THR 26 58.039 61.790 31.322 197 HA THR 26 HA THR 26 59.445 61.393 33.823 198 HB THR 26 HB THR 26 61.308 62.410 32.687 199 HG1 THR 26 HG1 THR 26 60.923 63.873 31.165 200 HG21 THR 26 HG21 THR 26 59.776 61.247 30.318 201 HG22 THR 26 HG22 THR 26 61.519 61.264 30.573 202 HG23 THR 26 HG23 THR 26 60.499 60.204 31.576 203 H LYS 27 H LYS 27 57.328 63.819 32.706 204 HA LYS 27 HA LYS 27 58.245 65.819 34.712 205 HB2 LYS 27 HB2 LYS 27 56.631 66.229 32.188 206 HB3 LYS 27 HB3 LYS 27 57.017 67.496 33.351 207 HG2 LYS 27 HG2 LYS 27 59.048 66.047 31.642 208 HG3 LYS 27 HG3 LYS 27 58.315 67.624 31.349 209 HD2 LYS 27 HD2 LYS 27 60.363 68.161 32.132 210 HD3 LYS 27 HD3 LYS 27 59.292 68.472 33.494 211 HE2 LYS 27 HE2 LYS 27 60.083 66.590 34.697 212 HE3 LYS 27 HE3 LYS 27 60.758 65.827 33.255 213 HZ1 LYS 27 HZ1 LYS 27 61.856 68.172 34.684 214 HZ2 LYS 27 HZ2 LYS 27 62.619 66.805 34.456 215 HZ3 LYS 27 HZ3 LYS 27 62.328 67.842 33.223 216 H VAL 28 H VAL 28 56.156 63.289 34.811 217 HA VAL 28 HA VAL 28 53.634 64.473 35.086 218 HB VAL 28 HB VAL 28 54.181 62.070 34.629 219 HG11 VAL 28 HG11 VAL 28 54.316 61.855 37.681 220 HG12 VAL 28 HG12 VAL 28 54.572 60.522 36.550 221 HG13 VAL 28 HG13 VAL 28 55.733 61.852 36.611 222 HG21 VAL 28 HG21 VAL 28 52.098 62.131 36.823 223 HG22 VAL 28 HG22 VAL 28 51.865 63.096 35.351 224 HG23 VAL 28 HG23 VAL 28 52.053 61.360 35.227 225 H THR 29 H THR 29 52.184 64.376 37.015 226 HA THR 29 HA THR 29 53.273 64.436 39.653 227 HB THR 29 HB THR 29 52.237 66.739 40.270 228 HG1 THR 29 HG1 THR 29 52.570 67.224 37.610 229 HG21 THR 29 HG21 THR 29 54.893 66.848 38.776 230 HG22 THR 29 HG22 THR 29 54.258 67.971 39.996 231 HG23 THR 29 HG23 THR 29 54.608 66.304 40.440 232 H GLU 30 H GLU 30 51.543 65.026 41.292 233 HA GLU 30 HA GLU 30 49.252 63.427 40.784 234 HB2 GLU 30 HB2 GLU 30 49.613 65.541 42.948 235 HB3 GLU 30 HB3 GLU 30 48.438 64.211 42.954 236 HG2 GLU 30 HG2 GLU 30 50.453 62.605 42.948 237 HG3 GLU 30 HG3 GLU 30 51.485 64.005 43.164 238 H GLU 31 H GLU 31 49.854 66.860 40.271 239 HA GLU 31 HA GLU 31 47.093 67.724 39.967 240 HB2 GLU 31 HB2 GLU 31 49.655 68.792 38.696 241 HB3 GLU 31 HB3 GLU 31 48.065 69.563 38.654 242 HG2 GLU 31 HG2 GLU 31 48.126 69.810 41.103 243 HG3 GLU 31 HG3 GLU 31 49.755 69.141 41.143 244 H LEU 32 H LEU 32 49.628 66.597 37.657 245 HA LEU 32 HA LEU 32 47.826 66.737 35.432 246 HB2 LEU 32 HB2 LEU 32 50.169 66.819 34.942 247 HB3 LEU 32 HB3 LEU 32 50.483 65.290 35.762 248 HG LEU 32 HG LEU 32 49.391 64.053 33.966 249 HD11 LEU 32 HD11 LEU 32 48.901 66.761 32.605 250 HD12 LEU 32 HD12 LEU 32 48.532 65.156 31.940 251 HD13 LEU 32 HD13 LEU 32 47.613 65.784 33.319 252 HD21 LEU 32 HD21 LEU 32 51.127 66.218 32.781 253 HD22 LEU 32 HD22 LEU 32 51.780 64.790 33.630 254 HD23 LEU 32 HD23 LEU 32 50.866 64.575 32.134 255 H LEU 33 H LEU 33 48.542 64.041 37.667 256 HA LEU 33 HA LEU 33 46.853 62.130 36.282 257 HB2 LEU 33 HB2 LEU 33 47.694 62.416 39.184 258 HB3 LEU 33 HB3 LEU 33 46.982 60.924 38.557 259 HG LEU 33 HG LEU 33 49.656 62.060 37.675 260 HD11 LEU 33 HD11 LEU 33 49.086 59.662 39.453 261 HD12 LEU 33 HD12 LEU 33 50.650 60.110 38.741 262 HD13 LEU 33 HD13 LEU 33 49.877 61.194 39.926 263 HD21 LEU 33 HD21 LEU 33 48.747 59.267 37.085 264 HD22 LEU 33 HD22 LEU 33 48.282 60.610 36.002 265 HD23 LEU 33 HD23 LEU 33 49.975 60.302 36.291 266 H PHE 34 H PHE 34 46.149 64.346 39.031 267 HA PHE 34 HA PHE 34 43.569 63.261 39.503 268 HB2 PHE 34 HB2 PHE 34 44.937 64.755 41.000 269 HB3 PHE 34 HB3 PHE 34 44.523 66.098 39.926 270 HD1 PHE 34 HD1 PHE 34 42.201 66.862 39.703 271 HD2 PHE 34 HD2 PHE 34 43.277 63.763 42.492 272 HE1 PHE 34 HE1 PHE 34 40.124 67.318 41.017 273 HE2 PHE 34 HE2 PHE 34 41.247 64.267 43.826 274 HZ PHE 34 HZ PHE 34 39.688 66.071 43.086 275 H GLU 35 H GLU 35 44.499 66.079 37.418 276 HA GLU 35 HA GLU 35 41.796 66.635 36.710 277 HB2 GLU 35 HB2 GLU 35 42.732 68.347 35.411 278 HB3 GLU 35 HB3 GLU 35 43.954 68.124 36.661 279 HG2 GLU 35 HG2 GLU 35 45.416 66.939 35.285 280 HG3 GLU 35 HG3 GLU 35 44.228 66.763 33.988 281 H LEU 36 H LEU 36 44.095 64.269 35.588 282 HA LEU 36 HA LEU 36 42.753 63.767 33.025 283 HB2 LEU 36 HB2 LEU 36 45.085 63.602 32.963 284 HB3 LEU 36 HB3 LEU 36 45.237 62.603 34.360 285 HG LEU 36 HG LEU 36 43.784 61.529 31.916 286 HD11 LEU 36 HD11 LEU 36 46.773 61.747 32.475 287 HD12 LEU 36 HD12 LEU 36 46.013 60.589 31.319 288 HD13 LEU 36 HD13 LEU 36 45.896 62.361 31.084 289 HD21 LEU 36 HD21 LEU 36 43.694 60.172 33.994 290 HD22 LEU 36 HD22 LEU 36 44.747 59.384 32.822 291 HD23 LEU 36 HD23 LEU 36 45.468 60.316 34.148 292 H PHE 37 H PHE 37 43.003 62.165 36.243 293 HA PHE 37 HA PHE 37 41.041 60.213 35.441 294 HB2 PHE 37 HB2 PHE 37 42.308 60.757 38.139 295 HB3 PHE 37 HB3 PHE 37 41.221 59.424 37.786 296 HD1 PHE 37 HD2 PHE 37 41.875 58.121 35.469 297 HD2 PHE 37 HD1 PHE 37 44.633 60.281 37.961 298 HE1 PHE 37 HE2 PHE 37 43.756 56.763 34.563 299 HE2 PHE 37 HE1 PHE 37 46.536 59.091 36.865 300 HZ PHE 37 HZ PHE 37 46.095 57.332 35.186 301 H HIS 38 H HIS 38 40.546 63.479 36.218 302 HA HIS 38 HA HIS 38 38.047 63.315 37.607 303 HB2 HIS 38 HB2 HIS 38 39.431 65.400 37.148 304 HB3 HIS 38 HB3 HIS 38 38.899 65.345 35.478 305 HD2 HIS 38 HD2 HIS 38 37.474 65.595 39.060 306 HE1 HIS 38 HE1 HIS 38 35.270 68.356 36.707 307 HE2 HIS 38 HE2 HIS 38 35.596 67.445 39.007 308 H GLN 39 H GLN 39 38.881 62.717 34.233 309 HA GLN 39 HA GLN 39 36.161 62.550 33.206 310 HB2 GLN 39 HB2 GLN 39 38.676 61.299 32.048 311 HB3 GLN 39 HB3 GLN 39 37.202 61.751 31.223 312 HG2 GLN 39 HG2 GLN 39 37.813 64.225 31.910 313 HG3 GLN 39 HG3 GLN 39 39.374 63.573 32.355 314 HE21 GLN 39 HE22 GLN 39 38.688 65.506 30.051 315 HE22 GLN 39 HE21 GLN 39 39.188 64.601 28.618 316 H ALA 40 H ALA 40 38.335 60.315 34.881 317 HA ALA 40 HA ALA 40 36.866 58.050 33.804 318 HB1 ALA 40 HB1 ALA 40 39.269 58.171 35.652 319 HB2 ALA 40 HB2 ALA 40 38.532 56.677 35.020 320 HB3 ALA 40 HB3 ALA 40 39.258 57.848 33.900 321 H GLY 41 H GLY 41 36.028 60.023 36.117 322 HA2 GLY 41 HA2 GLY 41 33.964 59.635 37.363 323 HA3 GLY 41 HA3 GLY 41 34.497 57.998 37.730 324 HA PRO 42 HA PRO 42 35.166 60.831 41.222 325 HB2 PRO 42 HB2 PRO 42 33.943 59.618 43.262 326 HB3 PRO 42 HB3 PRO 42 33.080 60.349 41.897 327 HG2 PRO 42 HG2 PRO 42 33.631 57.375 42.243 328 HG3 PRO 42 HG3 PRO 42 32.145 58.232 41.702 329 HD2 PRO 42 HD2 PRO 42 34.075 57.119 40.052 330 HD3 PRO 42 HD3 PRO 42 32.891 58.390 39.598 331 H VAL 43 H VAL 43 37.263 60.744 41.059 332 HA VAL 43 HA VAL 43 38.971 58.828 42.414 333 HB VAL 43 HB VAL 43 39.448 61.676 41.443 334 HG11 VAL 43 HG11 VAL 43 41.344 59.764 42.840 335 HG12 VAL 43 HG12 VAL 43 41.920 61.004 41.723 336 HG13 VAL 43 HG13 VAL 43 41.017 61.493 43.162 337 HG21 VAL 43 HG21 VAL 43 39.199 59.875 39.674 338 HG22 VAL 43 HG22 VAL 43 40.799 60.646 39.754 339 HG23 VAL 43 HG23 VAL 43 40.541 59.016 40.459 340 H ILE 44 H ILE 44 39.434 58.834 44.471 341 HA ILE 44 HA ILE 44 38.472 60.969 46.301 342 HB ILE 44 HB ILE 44 39.965 58.400 46.935 343 HG12 ILE 44 HG12 ILE 44 36.988 59.092 47.112 344 HG13 ILE 44 HG13 ILE 44 37.700 57.857 46.127 345 HG21 ILE 44 HG21 ILE 44 38.592 60.136 48.984 346 HG22 ILE 44 HG22 ILE 44 39.882 58.918 49.165 347 HG23 ILE 44 HG23 ILE 44 40.262 60.480 48.511 348 HD11 ILE 44 HD11 ILE 44 36.595 57.156 48.456 349 HD12 ILE 44 HD12 ILE 44 38.011 56.356 47.794 350 HD13 ILE 44 HD13 ILE 44 38.189 57.568 49.080 351 H LYS 45 H LYS 45 41.607 59.416 45.463 352 HA LYS 45 HA LYS 45 43.101 61.911 45.882 353 HB2 LYS 45 HB2 LYS 45 44.371 61.088 47.833 354 HB3 LYS 45 HB3 LYS 45 42.650 61.335 48.159 355 HG2 LYS 45 HG2 LYS 45 42.477 58.768 47.646 356 HG3 LYS 45 HG3 LYS 45 44.204 58.788 48.151 357 HD2 LYS 45 HD2 LYS 45 41.939 59.902 49.860 358 HD3 LYS 45 HD3 LYS 45 42.384 58.196 49.803 359 HE2 LYS 45 HE2 LYS 45 43.313 59.277 51.670 360 HE3 LYS 45 HE3 LYS 45 44.573 58.626 50.619 361 HZ1 LYS 45 HZ1 LYS 45 44.755 60.985 51.596 362 HZ2 LYS 45 HZ2 LYS 45 45.287 60.770 50.085 363 HZ3 LYS 45 HZ3 LYS 45 43.827 61.485 50.385 364 H VAL 46 H VAL 46 45.192 61.903 45.200 365 HA VAL 46 HA VAL 46 46.127 59.575 43.600 366 HB VAL 46 HB VAL 46 46.614 62.564 43.259 367 HG11 VAL 46 HG11 VAL 46 47.935 60.209 41.884 368 HG12 VAL 46 HG12 VAL 46 47.752 61.779 41.077 369 HG13 VAL 46 HG13 VAL 46 48.676 61.673 42.578 370 HG21 VAL 46 HG21 VAL 46 44.431 61.686 42.363 371 HG22 VAL 46 HG22 VAL 46 45.511 62.181 41.054 372 HG23 VAL 46 HG23 VAL 46 45.348 60.467 41.431 373 H LYS 47 H LYS 47 48.047 58.793 43.673 374 HA LYS 47 HA LYS 47 50.085 59.951 45.473 375 HB2 LYS 47 HB2 LYS 47 49.289 57.792 46.422 376 HB3 LYS 47 HB3 LYS 47 49.237 57.069 44.828 377 HG2 LYS 47 HG2 LYS 47 51.059 56.091 45.971 378 HG3 LYS 47 HG3 LYS 47 51.732 57.080 44.687 379 HD2 LYS 47 HD2 LYS 47 52.183 58.919 46.363 380 HD3 LYS 47 HD3 LYS 47 51.426 57.890 47.595 381 HE2 LYS 47 HE2 LYS 47 53.222 56.184 47.149 382 HE3 LYS 47 HE3 LYS 47 54.044 57.382 46.148 383 HZ1 LYS 47 HZ1 LYS 47 53.889 58.862 48.182 384 HZ2 LYS 47 HZ2 LYS 47 53.215 57.643 48.971 385 HZ3 LYS 47 HZ3 LYS 47 54.783 57.539 48.492 386 H ILE 48 H ILE 48 51.690 60.692 44.632 387 HA ILE 48 HA ILE 48 52.937 59.405 42.276 388 HB ILE 48 HB ILE 48 52.905 62.180 43.398 389 HG12 ILE 48 HG12 ILE 48 51.491 61.223 41.454 390 HG13 ILE 48 HG13 ILE 48 52.291 62.779 41.236 391 HG21 ILE 48 HG21 ILE 48 55.221 60.918 41.996 392 HG22 ILE 48 HG22 ILE 48 54.873 62.671 41.805 393 HG23 ILE 48 HG23 ILE 48 55.227 61.999 43.401 394 HD11 ILE 48 HD11 ILE 48 53.332 60.135 40.118 395 HD12 ILE 48 HD12 ILE 48 52.397 61.352 39.226 396 HD13 ILE 48 HD13 ILE 48 54.005 61.762 39.832 397 HA PRO 49 HA PRO 49 56.006 58.030 45.366 398 HB2 PRO 49 HB2 PRO 49 57.429 56.427 43.656 399 HB3 PRO 49 HB3 PRO 49 55.884 55.879 44.331 400 HG2 PRO 49 HG2 PRO 49 56.386 57.132 41.629 401 HG3 PRO 49 HG3 PRO 49 55.335 55.700 42.082 402 HD2 PRO 49 HD2 PRO 49 54.395 58.229 41.603 403 HD3 PRO 49 HD3 PRO 49 53.603 57.080 42.676 404 H LYS 50 H LYS 50 58.407 58.345 45.342 405 HA LYS 50 HA LYS 50 59.594 59.857 43.220 406 HB2 LYS 50 HB2 LYS 50 59.120 61.210 45.902 407 HB3 LYS 50 HB3 LYS 50 60.515 61.557 44.881 408 HG2 LYS 50 HG2 LYS 50 58.566 61.709 42.993 409 HG3 LYS 50 HG3 LYS 50 57.595 62.141 44.401 410 HD2 LYS 50 HD2 LYS 50 58.816 64.149 44.758 411 HD3 LYS 50 HD3 LYS 50 60.165 63.619 43.762 412 HE2 LYS 50 HE2 LYS 50 58.752 63.695 41.732 413 HE3 LYS 50 HE3 LYS 50 57.340 64.086 42.691 414 HZ1 LYS 50 HZ1 LYS 50 58.244 66.159 43.234 415 HZ2 LYS 50 HZ2 LYS 50 59.741 65.796 42.711 416 HZ3 LYS 50 HZ3 LYS 50 58.496 66.032 41.657 417 H ASP 51 H ASP 51 61.167 58.726 42.902 418 HA ASP 51 HA ASP 51 62.845 57.043 44.483 419 HB2 ASP 51 HB2 ASP 51 62.772 57.371 41.875 420 HB3 ASP 51 HB3 ASP 51 63.666 58.858 42.187 421 H LYS 52 H LYS 52 65.173 57.592 44.828 422 HA LYS 52 HA LYS 52 65.599 59.645 46.720 423 HB2 LYS 52 HB2 LYS 52 68.010 59.110 46.348 424 HB3 LYS 52 HB3 LYS 52 66.979 57.693 46.560 425 HG2 LYS 52 HG2 LYS 52 68.066 56.852 44.774 426 HG3 LYS 52 HG3 LYS 52 66.987 57.837 43.811 427 HD2 LYS 52 HD2 LYS 52 68.709 59.681 43.807 428 HD3 LYS 52 HD3 LYS 52 69.816 58.587 44.640 429 HE2 LYS 52 HE2 LYS 52 69.789 57.040 42.746 430 HE3 LYS 52 HE3 LYS 52 68.474 57.954 41.967 431 HZ1 LYS 52 HZ1 LYS 52 70.028 59.832 41.872 432 HZ2 LYS 52 HZ2 LYS 52 71.211 58.879 42.437 433 HZ3 LYS 52 HZ3 LYS 52 70.521 58.531 41.001 434 H ASP 53 H ASP 53 65.976 59.604 43.277 435 HA ASP 53 HA ASP 53 67.183 62.180 42.851 436 HB2 ASP 53 HB2 ASP 53 67.446 60.216 41.431 437 HB3 ASP 53 HB3 ASP 53 65.739 60.157 41.086 438 H GLY 54 H GLY 54 64.001 61.352 43.753 439 HA2 GLY 54 HA2 GLY 54 62.191 62.681 44.137 440 HA3 GLY 54 HA3 GLY 54 62.947 64.018 43.281 441 H LYS 55 H LYS 55 62.289 60.637 42.156 442 HA LYS 55 HA LYS 55 60.656 61.797 39.970 443 HB2 LYS 55 HB2 LYS 55 62.994 61.257 39.265 444 HB3 LYS 55 HB3 LYS 55 62.634 59.523 39.544 445 HG2 LYS 55 HG2 LYS 55 62.372 59.843 37.185 446 HG3 LYS 55 HG3 LYS 55 60.767 59.763 37.829 447 HD2 LYS 55 HD2 LYS 55 60.651 61.601 36.396 448 HD3 LYS 55 HD3 LYS 55 60.878 62.368 37.959 449 HE2 LYS 55 HE2 LYS 55 63.429 62.423 37.355 450 HE3 LYS 55 HE3 LYS 55 62.906 62.041 35.729 451 HZ1 LYS 55 HZ1 LYS 55 61.519 64.026 35.769 452 HZ2 LYS 55 HZ2 LYS 55 61.967 64.384 37.301 453 HZ3 LYS 55 HZ3 LYS 55 63.055 64.437 36.111 454 HA PRO 56 HA PRO 56 57.852 58.603 41.187 455 HB2 PRO 56 HB2 PRO 56 55.984 58.823 39.142 456 HB3 PRO 56 HB3 PRO 56 56.133 60.015 40.483 457 HG2 PRO 56 HG2 PRO 56 57.308 60.092 37.697 458 HG3 PRO 56 HG3 PRO 56 56.486 61.447 38.579 459 HD2 PRO 56 HD2 PRO 56 59.193 61.341 38.484 460 HD3 PRO 56 HD3 PRO 56 58.335 61.859 39.935 461 H LYS 57 H LYS 57 60.048 58.017 39.006 462 HA LYS 57 HA LYS 57 60.762 56.015 38.050 463 HB2 LYS 57 HB2 LYS 57 58.557 54.804 39.797 464 HB3 LYS 57 HB3 LYS 57 59.885 53.912 39.067 465 HG2 LYS 57 HG2 LYS 57 60.834 54.081 41.021 466 HG3 LYS 57 HG3 LYS 57 61.234 55.760 40.539 467 HD2 LYS 57 HD2 LYS 57 59.221 56.538 41.764 468 HD3 LYS 57 HD3 LYS 57 58.782 54.878 42.171 469 HE2 LYS 57 HE2 LYS 57 61.431 56.123 42.951 470 HE3 LYS 57 HE3 LYS 57 59.985 56.201 43.987 471 HZ1 LYS 57 HZ1 LYS 57 61.399 54.392 44.624 472 HZ2 LYS 57 HZ2 LYS 57 60.063 53.724 44.005 473 HZ3 LYS 57 HZ3 LYS 57 61.465 53.790 43.145 474 H GLN 58 H GLN 58 58.521 57.503 36.641 475 HA GLN 58 HA GLN 58 56.985 57.180 35.029 476 HB2 GLN 58 HB2 GLN 58 58.771 54.823 34.321 477 HB3 GLN 58 HB3 GLN 58 57.339 55.265 33.483 478 HG2 GLN 58 HG2 GLN 58 58.556 57.756 33.545 479 HG3 GLN 58 HG3 GLN 58 60.001 56.815 33.800 480 HE21 GLN 58 HE22 GLN 58 57.198 57.355 31.889 481 HE22 GLN 58 HE21 GLN 58 57.684 56.635 30.368 482 H PHE 59 H PHE 59 56.176 56.282 37.655 483 HA PHE 59 HA PHE 59 53.788 54.724 37.023 484 HB2 PHE 59 HB2 PHE 59 53.938 52.923 38.325 485 HB3 PHE 59 HB3 PHE 59 55.440 53.015 37.445 486 HD1 PHE 59 HD1 PHE 59 53.714 53.429 40.723 487 HD2 PHE 59 HD2 PHE 59 57.552 53.086 38.814 488 HE1 PHE 59 HE1 PHE 59 54.766 52.937 42.918 489 HE2 PHE 59 HE2 PHE 59 58.573 52.473 41.010 490 HZ PHE 59 HZ PHE 59 57.132 52.269 43.030 491 H ALA 60 H ALA 60 52.091 54.783 38.705 492 HA ALA 60 HA ALA 60 52.337 56.450 41.098 493 HB1 ALA 60 HB1 ALA 60 50.300 57.345 39.036 494 HB2 ALA 60 HB2 ALA 60 50.947 58.240 40.415 495 HB3 ALA 60 HB3 ALA 60 51.959 57.991 39.003 496 H PHE 61 H PHE 61 49.991 56.681 42.131 497 HA PHE 61 HA PHE 61 48.197 54.410 41.459 498 HB2 PHE 61 HB2 PHE 61 49.499 54.908 44.175 499 HB3 PHE 61 HB3 PHE 61 47.923 54.214 44.063 500 HD1 PHE 61 HD1 PHE 61 47.482 52.006 43.208 501 HD2 PHE 61 HD2 PHE 61 51.508 53.514 43.390 502 HE1 PHE 61 HE1 PHE 61 48.372 49.688 42.923 503 HE2 PHE 61 HE2 PHE 61 52.375 51.159 43.269 504 HZ PHE 61 HZ PHE 61 50.777 49.267 43.042 505 H VAL 62 H VAL 62 46.010 54.669 41.884 506 HA VAL 62 HA VAL 62 45.208 57.363 42.932 507 HB VAL 62 HB VAL 62 44.097 56.027 40.451 508 HG11 VAL 62 HG11 VAL 62 43.878 58.853 41.632 509 HG12 VAL 62 HG12 VAL 62 43.247 58.377 40.050 510 HG13 VAL 62 HG13 VAL 62 42.565 57.667 41.528 511 HG21 VAL 62 HG21 VAL 62 46.449 56.703 39.990 512 HG22 VAL 62 HG22 VAL 62 45.300 57.750 39.167 513 HG23 VAL 62 HG23 VAL 62 46.102 58.309 40.669 514 H ASN 63 H ASN 63 43.608 57.334 44.376 515 HA ASN 63 HA ASN 63 42.210 54.851 45.113 516 HB2 ASN 63 HB2 ASN 63 43.314 56.675 46.667 517 HB3 ASN 63 HB3 ASN 63 41.803 57.556 46.302 518 HD21 ASN 63 HD22 ASN 63 43.258 54.704 47.821 519 HD22 ASN 63 HD21 ASN 63 41.758 54.102 48.510 520 H PHE 64 H PHE 64 39.900 54.542 44.986 521 HA PHE 64 HA PHE 64 38.309 56.558 43.484 522 HB2 PHE 64 HB2 PHE 64 38.815 53.623 42.939 523 HB3 PHE 64 HB3 PHE 64 37.254 54.287 42.575 524 HD1 PHE 64 HD1 PHE 64 40.887 54.448 41.749 525 HD2 PHE 64 HD2 PHE 64 36.955 55.892 40.738 526 HE1 PHE 64 HE1 PHE 64 41.787 55.449 39.692 527 HE2 PHE 64 HE2 PHE 64 37.862 56.976 38.723 528 HZ PHE 64 HZ PHE 64 40.290 56.753 38.163 529 H LYS 65 H LYS 65 36.080 56.479 43.839 530 HA LYS 65 HA LYS 65 35.319 56.214 46.577 531 HB2 LYS 65 HB2 LYS 65 34.326 57.701 44.722 532 HB3 LYS 65 HB3 LYS 65 33.420 56.266 44.190 533 HG2 LYS 65 HG2 LYS 65 32.433 56.147 46.515 534 HG3 LYS 65 HG3 LYS 65 33.268 57.690 46.855 535 HD2 LYS 65 HD2 LYS 65 31.988 58.722 44.951 536 HD3 LYS 65 HD3 LYS 65 31.120 57.186 44.756 537 HE2 LYS 65 HE2 LYS 65 30.165 57.369 46.993 538 HE3 LYS 65 HE3 LYS 65 31.253 58.702 47.401 539 HZ1 LYS 65 HZ1 LYS 65 29.042 58.861 45.458 540 HZ2 LYS 65 HZ2 LYS 65 29.176 59.624 46.911 541 HZ3 LYS 65 HZ3 LYS 65 30.152 60.026 45.724 542 H HIS 66 H HIS 66 34.825 54.086 43.780 543 HA HIS 66 HA HIS 66 33.188 52.271 45.379 544 HB2 HIS 66 HB2 HIS 66 33.895 52.321 42.440 545 HB3 HIS 66 HB3 HIS 66 32.717 51.234 43.166 546 HD2 HIS 66 HD2 HIS 66 30.686 52.667 44.682 547 HE1 HIS 66 HE1 HIS 66 30.461 55.672 41.688 548 HE2 HIS 66 HE2 HIS 66 29.230 54.566 43.592 549 H GLU 67 H GLU 67 33.658 50.176 45.844 550 HA GLU 67 HA GLU 67 36.587 49.705 46.129 551 HB2 GLU 67 HB2 GLU 67 35.941 48.332 48.118 552 HB3 GLU 67 HB3 GLU 67 35.585 50.052 48.203 553 HG2 GLU 67 HG2 GLU 67 33.246 49.687 47.712 554 HG3 GLU 67 HG3 GLU 67 33.514 47.956 47.498 555 H VAL 68 H VAL 68 34.382 48.747 44.054 556 HA VAL 68 HA VAL 68 34.811 45.884 44.014 557 HB VAL 68 HB VAL 68 33.275 45.984 42.110 558 HG11 VAL 68 HG11 VAL 68 32.093 47.617 44.405 559 HG12 VAL 68 HG12 VAL 68 31.349 46.379 43.402 560 HG13 VAL 68 HG13 VAL 68 32.597 45.930 44.586 561 HG21 VAL 68 HG21 VAL 68 33.360 49.036 42.490 562 HG22 VAL 68 HG22 VAL 68 33.654 48.072 41.031 563 HG23 VAL 68 HG23 VAL 68 32.026 48.188 41.718 564 H SER 69 H SER 69 37.251 47.369 43.587 565 HA SER 69 HA SER 69 39.018 47.632 42.116 566 HB2 SER 69 HB2 SER 69 39.857 45.529 41.221 567 HB3 SER 69 HB3 SER 69 39.347 45.393 42.903 568 HG SER 69 HG SER 69 38.333 43.805 42.201 569 H VAL 70 H VAL 70 37.037 48.948 40.959 570 HA VAL 70 HA VAL 70 36.450 48.097 38.205 571 HB VAL 70 HB VAL 70 34.613 48.877 39.307 572 HG11 VAL 70 HG11 VAL 70 34.485 51.301 40.203 573 HG12 VAL 70 HG12 VAL 70 35.207 50.032 41.188 574 HG13 VAL 70 HG13 VAL 70 36.255 51.175 40.343 575 HG21 VAL 70 HG21 VAL 70 35.482 51.112 37.440 576 HG22 VAL 70 HG22 VAL 70 34.699 49.583 36.985 577 HG23 VAL 70 HG23 VAL 70 33.826 50.748 37.955 578 HA PRO 71 HA PRO 71 39.805 50.966 36.988 579 HB2 PRO 71 HB2 PRO 71 41.004 49.456 35.085 580 HB3 PRO 71 HB3 PRO 71 40.894 48.878 36.760 581 HG2 PRO 71 HG2 PRO 71 39.109 48.188 34.401 582 HG3 PRO 71 HG3 PRO 71 39.811 47.069 35.606 583 HD2 PRO 71 HD2 PRO 71 37.218 48.204 35.713 584 HD3 PRO 71 HD3 PRO 71 38.109 47.456 37.077 585 H TYR 72 H TYR 72 37.620 52.217 36.348 586 HA TYR 72 HA TYR 72 36.621 52.100 33.715 587 HB2 TYR 72 HB2 TYR 72 35.569 53.171 35.734 588 HB3 TYR 72 HB3 TYR 72 36.651 54.543 35.520 589 HD1 TYR 72 HD1 TYR 72 36.469 56.030 33.614 590 HD2 TYR 72 HD2 TYR 72 33.733 52.771 34.181 591 HE1 TYR 72 HE1 TYR 72 34.810 57.162 32.091 592 HE2 TYR 72 HE2 TYR 72 32.127 53.841 32.578 593 HH TYR 72 HH TYR 72 32.621 57.002 31.235 594 H ALA 73 H ALA 73 39.218 54.216 35.057 595 HA ALA 73 HA ALA 73 39.766 55.643 32.689 596 HB1 ALA 73 HB1 ALA 73 41.670 54.730 34.874 597 HB2 ALA 73 HB2 ALA 73 42.137 55.741 33.484 598 HB3 ALA 73 HB3 ALA 73 40.983 56.369 34.640 599 H MET 74 H MET 74 40.910 52.306 33.439 600 HA MET 74 HA MET 74 42.807 51.945 31.413 601 HB2 MET 74 HB2 MET 74 42.066 50.471 33.425 602 HB3 MET 74 HB3 MET 74 40.890 49.789 32.301 603 HG2 MET 74 HG2 MET 74 42.788 48.951 30.886 604 HG3 MET 74 HG3 MET 74 43.926 49.739 31.969 605 HE1 MET 74 HE1 MET 74 41.565 45.873 32.614 606 HE2 MET 74 HE2 MET 74 40.790 47.353 32.003 607 HE3 MET 74 HE3 MET 74 42.132 46.610 31.097 608 H ASN 75 H ASN 75 39.470 52.382 30.899 609 HA ASN 75 HA ASN 75 39.762 51.618 28.005 610 HB2 ASN 75 HB2 ASN 75 38.019 50.277 28.699 611 HB3 ASN 75 HB3 ASN 75 37.396 51.462 29.877 612 HD21 ASN 75 HD22 ASN 75 35.613 52.746 29.074 613 HD22 ASN 75 HD21 ASN 75 35.210 52.807 27.368 614 H LEU 76 H LEU 76 38.870 54.129 30.371 615 HA LEU 76 HA LEU 76 37.917 55.841 28.367 616 HB2 LEU 76 HB2 LEU 76 37.629 55.828 31.015 617 HB3 LEU 76 HB3 LEU 76 39.007 56.893 31.006 618 HG LEU 76 HG LEU 76 36.888 58.045 31.184 619 HD11 LEU 76 HD11 LEU 76 37.851 58.901 28.461 620 HD12 LEU 76 HD12 LEU 76 37.184 59.834 29.791 621 HD13 LEU 76 HD13 LEU 76 38.813 59.162 29.961 622 HD21 LEU 76 HD21 LEU 76 35.493 56.486 29.816 623 HD22 LEU 76 HD22 LEU 76 35.264 58.212 29.453 624 HD23 LEU 76 HD23 LEU 76 36.200 57.190 28.344 625 H LEU 77 H LEU 77 41.014 55.946 30.158 626 HA LEU 77 HA LEU 77 42.180 57.852 28.203 627 HB2 LEU 77 HB2 LEU 77 43.330 57.116 30.907 628 HB3 LEU 77 HB3 LEU 77 43.840 58.365 29.754 629 HG LEU 77 HG LEU 77 42.998 59.517 31.469 630 HD11 LEU 77 HD11 LEU 77 42.239 60.495 29.556 631 HD12 LEU 77 HD12 LEU 77 40.853 59.413 29.350 632 HD13 LEU 77 HD13 LEU 77 40.884 60.574 30.711 633 HD21 LEU 77 HD21 LEU 77 40.776 59.177 32.553 634 HD22 LEU 77 HD22 LEU 77 40.749 57.554 31.796 635 HD23 LEU 77 HD23 LEU 77 42.086 58.058 32.886 636 H ASN 78 H ASN 78 44.081 55.564 30.165 637 HA ASN 78 HA ASN 78 45.889 54.237 29.366 638 HB2 ASN 78 HB2 ASN 78 43.942 52.988 30.048 639 HB3 ASN 78 HB3 ASN 78 43.279 53.042 28.401 640 HD21 ASN 78 HD22 ASN 78 45.612 52.181 26.923 641 HD22 ASN 78 HD21 ASN 78 46.022 50.570 27.477 642 H GLY 79 H GLY 79 46.687 56.009 27.831 643 HA2 GLY 79 HA2 GLY 79 47.870 55.389 25.609 644 HA3 GLY 79 HA3 GLY 79 46.250 55.258 24.944 645 H ILE 80 H ILE 80 46.823 57.784 27.311 646 HA ILE 80 HA ILE 80 46.856 59.826 25.143 647 HB ILE 80 HB ILE 80 45.125 61.102 26.112 648 HG12 ILE 80 HG12 ILE 80 43.903 59.716 28.140 649 HG13 ILE 80 HG13 ILE 80 45.623 59.464 28.492 650 HG21 ILE 80 HG21 ILE 80 44.138 58.214 26.110 651 HG22 ILE 80 HG22 ILE 80 43.142 59.676 26.063 652 HG23 ILE 80 HG23 ILE 80 44.201 59.288 24.694 653 HD11 ILE 80 HD11 ILE 80 44.611 61.499 29.557 654 HD12 ILE 80 HD12 ILE 80 45.974 61.934 28.481 655 HD13 ILE 80 HD13 ILE 80 44.310 62.177 27.947 656 H LYS 81 H LYS 81 47.603 61.964 25.942 657 HA LYS 81 HA LYS 81 48.833 62.091 28.521 658 HB2 LYS 81 HB2 LYS 81 51.185 62.509 27.209 659 HB3 LYS 81 HB3 LYS 81 50.672 60.991 27.952 660 HG2 LYS 81 HG2 LYS 81 51.610 60.449 25.868 661 HG3 LYS 81 HG3 LYS 81 49.875 60.250 25.660 662 HD2 LYS 81 HD2 LYS 81 49.801 62.515 24.556 663 HD3 LYS 81 HD3 LYS 81 51.546 62.655 24.858 664 HE2 LYS 81 HE2 LYS 81 51.923 60.614 23.417 665 HE3 LYS 81 HE3 LYS 81 50.195 60.395 23.288 666 HZ1 LYS 81 HZ1 LYS 81 50.969 61.404 21.340 667 HZ2 LYS 81 HZ2 LYS 81 50.002 62.429 22.092 668 HZ3 LYS 81 HZ3 LYS 81 51.628 62.699 22.085 669 H LEU 82 H LEU 82 50.515 63.991 28.486 670 HA LEU 82 HA LEU 82 49.430 66.330 26.961 671 HB2 LEU 82 HB2 LEU 82 49.303 66.498 29.478 672 HB3 LEU 82 HB3 LEU 82 51.045 66.259 29.521 673 HG LEU 82 HG LEU 82 51.099 68.402 27.902 674 HD11 LEU 82 HD11 LEU 82 48.524 68.371 27.685 675 HD12 LEU 82 HD12 LEU 82 48.511 68.910 29.385 676 HD13 LEU 82 HD13 LEU 82 49.283 69.913 28.138 677 HD21 LEU 82 HD21 LEU 82 52.063 68.578 30.001 678 HD22 LEU 82 HD22 LEU 82 50.882 69.913 29.895 679 HD23 LEU 82 HD23 LEU 82 50.495 68.471 30.859 680 H TYR 83 H TYR 83 52.386 64.651 28.129 681 HA TYR 83 HA TYR 83 54.156 66.626 26.900 682 HB2 TYR 83 HB2 TYR 83 54.457 64.328 28.868 683 HB3 TYR 83 HB3 TYR 83 55.836 65.200 28.312 684 HD1 TYR 83 HD1 TYR 83 56.028 67.667 28.795 685 HD2 TYR 83 HD2 TYR 83 53.208 65.074 30.786 686 HE1 TYR 83 HE1 TYR 83 55.898 69.259 30.678 687 HE2 TYR 83 HE2 TYR 83 53.159 66.653 32.728 688 HH TYR 83 HH TYR 83 54.941 69.589 32.756 689 H GLY 84 H GLY 84 53.624 63.096 26.761 690 HA2 GLY 84 HA2 GLY 84 54.170 62.530 24.171 691 HA3 GLY 84 HA3 GLY 84 55.784 62.584 24.887 692 H ARG 85 H ARG 85 54.488 61.269 27.549 693 HA ARG 85 HA ARG 85 54.579 58.500 26.460 694 HB2 ARG 85 HB2 ARG 85 55.089 59.212 29.363 695 HB3 ARG 85 HB3 ARG 85 55.007 57.665 28.557 696 HG2 ARG 85 HG2 ARG 85 57.265 57.959 28.625 697 HG3 ARG 85 HG3 ARG 85 56.900 58.578 27.007 698 HD2 ARG 85 HD2 ARG 85 56.914 60.847 27.824 699 HD3 ARG 85 HD3 ARG 85 57.314 60.338 29.457 700 HE ARG 85 HE ARG 85 59.403 59.241 28.599 701 HH11 ARG 85 HH11 ARG 85 58.124 61.858 26.652 702 HH12 ARG 85 HH12 ARG 85 59.294 61.575 25.374 703 HH21 ARG 85 HH21 ARG 85 61.011 59.231 27.156 704 HH22 ARG 85 HH22 ARG 85 60.856 60.056 25.627 705 HA PRO 86 HA PRO 86 50.264 58.853 27.417 706 HB2 PRO 86 HB2 PRO 86 49.378 56.490 26.374 707 HB3 PRO 86 HB3 PRO 86 49.795 57.920 25.366 708 HG2 PRO 86 HG2 PRO 86 51.609 55.554 26.075 709 HG3 PRO 86 HG3 PRO 86 51.317 56.214 24.434 710 HD2 PRO 86 HD2 PRO 86 53.480 56.972 25.801 711 HD3 PRO 86 HD3 PRO 86 52.519 58.219 24.969 712 H ILE 87 H ILE 87 49.279 58.575 29.184 713 HA ILE 87 HA ILE 87 50.169 57.009 31.279 714 HB ILE 87 HB ILE 87 47.517 58.388 30.636 715 HG12 ILE 87 HG12 ILE 87 49.528 59.762 31.167 716 HG13 ILE 87 HG13 ILE 87 48.216 59.995 32.325 717 HG21 ILE 87 HG21 ILE 87 46.607 56.820 32.070 718 HG22 ILE 87 HG22 ILE 87 48.035 56.860 33.166 719 HG23 ILE 87 HG23 ILE 87 46.918 58.245 33.066 720 HD11 ILE 87 HD11 ILE 87 49.285 58.666 34.015 721 HD12 ILE 87 HD12 ILE 87 50.540 58.097 32.908 722 HD13 ILE 87 HD13 ILE 87 50.507 59.794 33.404 723 H LYS 88 H LYS 88 50.015 54.946 31.797 724 HA LYS 88 HA LYS 88 47.995 53.264 30.402 725 HB2 LYS 88 HB2 LYS 88 50.227 52.712 29.698 726 HB3 LYS 88 HB3 LYS 88 50.761 52.508 31.401 727 HG2 LYS 88 HG2 LYS 88 50.434 50.405 30.358 728 HG3 LYS 88 HG3 LYS 88 49.315 50.606 31.698 729 HD2 LYS 88 HD2 LYS 88 47.422 50.784 30.288 730 HD3 LYS 88 HD3 LYS 88 48.406 51.429 28.940 731 HE2 LYS 88 HE2 LYS 88 48.422 48.607 30.052 732 HE3 LYS 88 HE3 LYS 88 47.513 49.080 28.599 733 HZ1 LYS 88 HZ1 LYS 88 50.440 49.432 28.732 734 HZ2 LYS 88 HZ2 LYS 88 49.727 48.070 28.186 735 HZ3 LYS 88 HZ3 LYS 88 49.478 49.469 27.438 736 H ILE 89 H ILE 89 46.414 52.873 31.644 737 HA ILE 89 HA ILE 89 46.748 52.518 34.557 738 HB ILE 89 HB ILE 89 44.337 52.376 32.755 739 HG12 ILE 89 HG12 ILE 89 43.959 54.516 34.460 740 HG13 ILE 89 HG13 ILE 89 45.692 54.636 34.212 741 HG21 ILE 89 HG21 ILE 89 44.621 52.273 35.781 742 HG22 ILE 89 HG22 ILE 89 43.068 52.504 34.917 743 HG23 ILE 89 HG23 ILE 89 43.981 51.003 34.735 744 HD11 ILE 89 HD11 ILE 89 43.640 54.421 31.982 745 HD12 ILE 89 HD12 ILE 89 44.321 55.951 32.585 746 HD13 ILE 89 HD13 ILE 89 45.374 54.771 31.779 747 H GLN 90 H GLN 90 46.534 50.504 35.680 748 HA GLN 90 HA GLN 90 45.901 48.060 34.086 749 HB2 GLN 90 HB2 GLN 90 47.968 48.551 36.221 750 HB3 GLN 90 HB3 GLN 90 47.496 46.911 35.742 751 HG2 GLN 90 HG2 GLN 90 48.811 48.915 33.885 752 HG3 GLN 90 HG3 GLN 90 49.549 47.534 34.714 753 HE21 GLN 90 HE22 GLN 90 46.993 48.282 32.210 754 HE22 GLN 90 HE21 GLN 90 47.255 46.787 31.377 755 H PHE 91 H PHE 91 45.143 46.289 35.347 756 HA PHE 91 HA PHE 91 43.291 47.138 37.559 757 HB2 PHE 91 HB2 PHE 91 41.589 45.806 36.845 758 HB3 PHE 91 HB3 PHE 91 42.084 46.558 35.381 759 HD1 PHE 91 HD1 PHE 91 43.649 45.001 33.759 760 HD2 PHE 91 HD2 PHE 91 41.365 43.599 37.128 761 HE1 PHE 91 HE1 PHE 91 43.577 42.704 32.778 762 HE2 PHE 91 HE2 PHE 91 41.249 41.342 36.123 763 HZ PHE 91 HZ PHE 91 42.355 40.901 33.933 764 H ARG 92 H ARG 92 42.737 45.568 39.160 765 HA ARG 92 HA ARG 92 44.642 43.301 39.545 766 HB2 ARG 92 HB2 ARG 92 44.451 45.095 41.366 767 HB3 ARG 92 HB3 ARG 92 42.850 44.443 41.725 768 HG2 ARG 92 HG2 ARG 92 43.945 42.211 42.115 769 HG3 ARG 92 HG3 ARG 92 45.513 42.996 41.886 770 HD2 ARG 92 HD2 ARG 92 44.931 44.582 43.791 771 HD3 ARG 92 HD3 ARG 92 43.452 43.631 44.037 772 HE ARG 92 HE ARG 92 45.547 41.781 44.019 773 HH11 ARG 92 HH11 ARG 92 44.655 44.482 46.066 774 HH12 ARG 92 HH12 ARG 92 45.788 43.982 47.313 775 HH21 ARG 92 HH21 ARG 92 46.675 41.080 45.700 776 HH22 ARG 92 HH22 ARG 92 46.676 41.895 47.248 777 H SER 93 H SER 93 43.793 41.154 39.683 778 HA SER 93 HA SER 93 41.003 40.742 38.719 779 HB2 SER 93 HB2 SER 93 41.738 38.491 38.143 780 HB3 SER 93 HB3 SER 93 42.704 39.727 37.354 781 HG SER 93 HG SER 93 44.022 38.184 38.268 782 H GLY 94 H GLY 94 41.391 41.491 41.549 783 HA2 GLY 94 HA2 GLY 94 40.649 40.785 43.634 784 HA3 GLY 94 HA3 GLY 94 40.345 39.164 43.018 785 H SER 95 H SER 95 41.496 39.028 45.350 786 HA SER 95 HA SER 95 44.385 38.461 44.838 787 HB2 SER 95 HB2 SER 95 43.735 40.162 46.622 788 HB3 SER 95 HB3 SER 95 43.104 38.773 47.529 789 HG SER 95 HG SER 95 45.345 39.328 47.869 790 H SER 96 H SER 96 45.270 36.531 45.818 791 HA SER 96 HA SER 96 43.554 34.422 47.014 792 HB2 SER 96 HB2 SER 96 45.145 34.007 44.467 793 HB3 SER 96 HB3 SER 96 44.883 32.693 45.622 794 HG SER 96 HG SER 96 42.811 34.338 44.766 795 H HIS 97 H HIS 97 44.416 34.420 48.973 796 HA HIS 97 HA HIS 97 47.329 34.012 49.263 797 HB2 HIS 97 HB2 HIS 97 47.575 35.545 51.035 798 HB3 HIS 97 HB3 HIS 97 46.867 36.341 49.651 799 HD2 HIS 97 HD2 HIS 97 44.251 34.577 51.766 800 HE1 HIS 97 HE1 HIS 97 43.945 38.745 52.514 801 HE2 HIS 97 HE2 HIS 97 42.815 36.489 52.786 802 H ALA 98 H ALA 98 47.730 33.319 51.805 803 HA ALA 98 HA ALA 98 46.391 30.709 52.055 804 HB1 ALA 98 HB1 ALA 98 48.777 30.743 52.478 805 HB2 ALA 98 HB2 ALA 98 48.564 32.112 53.623 806 HB3 ALA 98 HB3 ALA 98 47.978 30.494 54.012 807 HA PRO 99 HA PRO 99 43.986 31.940 55.729 808 HB2 PRO 99 HB2 PRO 99 44.844 29.366 56.931 809 HB3 PRO 99 HB3 PRO 99 43.188 30.005 56.689 810 HG2 PRO 99 HG2 PRO 99 44.231 27.935 55.191 811 HG3 PRO 99 HG3 PRO 99 43.131 29.169 54.470 812 HD2 PRO 99 HD2 PRO 99 46.145 29.039 54.301 813 HD3 PRO 99 HD3 PRO 99 44.928 29.404 53.042 814 H GLN 100 H GLN 100 44.487 31.724 58.216 815 HA GLN 100 HA GLN 100 47.372 31.961 58.821 816 HB2 GLN 100 HB2 GLN 100 45.533 34.031 59.949 817 HB3 GLN 100 HB3 GLN 100 47.293 33.937 59.817 818 HG2 GLN 100 HG2 GLN 100 46.923 34.277 57.243 819 HG3 GLN 100 HG3 GLN 100 45.261 34.636 57.642 820 HE21 GLN 100 HE22 GLN 100 46.978 36.510 56.398 821 HE22 GLN 100 HE21 GLN 100 47.111 37.903 57.451 822 H ASP 101 H ASP 101 44.367 30.762 59.843 823 HA ASP 101 HA ASP 101 45.549 29.861 62.445 824 HB2 ASP 101 HB2 ASP 101 43.540 31.326 62.825 825 HB3 ASP 101 HB3 ASP 101 42.596 30.214 61.849 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 61.663 40.839 30.572 2 H2 GLY 1 H2 GLY 1 60.267 41.266 29.817 3 H3 GLY 1 H3 GLY 1 60.257 40.189 31.078 4 HA2 GLY 1 HA2 GLY 1 61.292 41.921 32.446 5 HA3 GLY 1 HA3 GLY 1 60.751 43.090 31.203 6 H SER 2 H SER 2 59.689 40.523 33.379 7 HA SER 2 HA SER 2 56.912 41.625 33.446 8 HB2 SER 2 HB2 SER 2 57.641 38.731 33.037 9 HB3 SER 2 HB3 SER 2 56.004 39.420 33.096 10 HG SER 2 HG SER 2 57.739 39.421 31.081 11 H GLU 3 H GLU 3 58.862 41.860 35.537 12 HA GLU 3 HA GLU 3 59.057 41.828 37.727 13 HB2 GLU 3 HB2 GLU 3 56.373 40.499 37.968 14 HB3 GLU 3 HB3 GLU 3 57.336 41.221 39.254 15 HG2 GLU 3 HG2 GLU 3 57.312 43.411 37.818 16 HG3 GLU 3 HG3 GLU 3 56.089 42.578 36.848 17 H PHE 4 H PHE 4 60.381 40.652 39.052 18 HA PHE 4 HA PHE 4 60.583 37.700 38.794 19 HB2 PHE 4 HB2 PHE 4 62.658 38.859 38.938 20 HB3 PHE 4 HB3 PHE 4 62.094 39.878 40.245 21 HD1 PHE 4 HD2 PHE 4 62.520 36.137 39.668 22 HD2 PHE 4 HD1 PHE 4 63.114 39.555 42.227 23 HE1 PHE 4 HE2 PHE 4 63.605 34.686 41.388 24 HE2 PHE 4 HE1 PHE 4 64.258 38.110 43.884 25 HZ PHE 4 HZ PHE 4 64.464 35.683 43.484 26 H GLU 5 H GLU 5 59.261 40.218 40.896 27 HA GLU 5 HA GLU 5 58.463 38.213 42.923 28 HB2 GLU 5 HB2 GLU 5 58.824 41.221 43.163 29 HB3 GLU 5 HB3 GLU 5 58.359 40.114 44.474 30 HG2 GLU 5 HG2 GLU 5 60.532 38.909 44.127 31 HG3 GLU 5 HG3 GLU 5 61.015 40.182 43.007 32 H LEU 6 H LEU 6 56.787 38.023 40.800 33 HA LEU 6 HA LEU 6 54.745 40.006 40.627 34 HB2 LEU 6 HB2 LEU 6 55.429 37.833 39.023 35 HB3 LEU 6 HB3 LEU 6 53.993 37.242 39.785 36 HG LEU 6 HG LEU 6 54.259 39.814 38.147 37 HD11 LEU 6 HD11 LEU 6 52.654 37.279 37.649 38 HD12 LEU 6 HD12 LEU 6 52.879 38.650 36.534 39 HD13 LEU 6 HD13 LEU 6 54.247 37.591 36.948 40 HD21 LEU 6 HD21 LEU 6 51.809 40.034 38.283 41 HD22 LEU 6 HD22 LEU 6 51.761 38.709 39.458 42 HD23 LEU 6 HD23 LEU 6 52.581 40.258 39.844 43 H ARG 7 H ARG 7 52.727 40.239 41.825 44 HA ARG 7 HA ARG 7 51.930 38.728 44.003 45 HB2 ARG 7 HB2 ARG 7 50.487 40.311 41.887 46 HB3 ARG 7 HB3 ARG 7 49.563 39.422 43.142 47 HG2 ARG 7 HG2 ARG 7 49.812 41.680 43.844 48 HG3 ARG 7 HG3 ARG 7 50.778 40.601 44.889 49 HD2 ARG 7 HD2 ARG 7 52.009 42.560 44.520 50 HD3 ARG 7 HD3 ARG 7 52.783 41.257 43.590 51 HE ARG 7 HE ARG 7 50.844 42.868 42.019 52 HH11 ARG 7 HH11 ARG 7 54.290 42.578 42.868 53 HH12 ARG 7 HH12 ARG 7 54.710 43.064 41.241 54 HH21 ARG 7 HH21 ARG 7 51.570 43.443 40.096 55 HH22 ARG 7 HH22 ARG 7 53.264 43.559 39.749 56 H ARG 8 H ARG 8 50.834 36.955 44.370 57 HA ARG 8 HA ARG 8 51.200 34.706 42.553 58 HB2 ARG 8 HB2 ARG 8 50.225 34.953 45.450 59 HB3 ARG 8 HB3 ARG 8 50.311 33.413 44.610 60 HG2 ARG 8 HG2 ARG 8 52.637 33.729 44.054 61 HG3 ARG 8 HG3 ARG 8 52.677 35.306 44.845 62 HD2 ARG 8 HD2 ARG 8 52.060 33.964 47.020 63 HD3 ARG 8 HD3 ARG 8 52.466 32.538 46.047 64 HE ARG 8 HE ARG 8 54.303 34.572 47.138 65 HH11 ARG 8 HH11 ARG 8 53.995 32.025 44.708 66 HH12 ARG 8 HH12 ARG 8 55.702 32.147 44.346 67 HH21 ARG 8 HH21 ARG 8 56.348 34.684 46.536 68 HH22 ARG 8 HH22 ARG 8 57.054 33.422 45.569 69 H GLN 9 H GLN 9 49.497 32.958 42.619 70 HA GLN 9 HA GLN 9 46.760 34.034 42.503 71 HB2 GLN 9 HB2 GLN 9 47.909 32.186 40.388 72 HB3 GLN 9 HB3 GLN 9 46.208 32.639 40.660 73 HG2 GLN 9 HG2 GLN 9 47.099 35.112 40.431 74 HG3 GLN 9 HG3 GLN 9 48.502 34.390 39.616 75 HE21 GLN 9 HE22 GLN 9 48.044 33.096 37.608 76 HE22 GLN 9 HE21 GLN 9 46.631 33.571 36.660 77 H GLN 10 H GLN 10 48.887 31.415 43.335 78 HA GLN 10 HA GLN 10 46.975 29.304 43.416 79 HB2 GLN 10 HB2 GLN 10 49.799 29.665 44.488 80 HB3 GLN 10 HB3 GLN 10 48.908 28.158 44.726 81 HG2 GLN 10 HG2 GLN 10 48.666 27.874 42.308 82 HG3 GLN 10 HG3 GLN 10 49.462 29.431 42.023 83 HE21 GLN 10 HE22 GLN 10 51.466 28.833 41.073 84 HE22 GLN 10 HE21 GLN 10 52.498 27.564 41.744 85 H ALA 11 H ALA 11 46.521 31.685 45.137 86 HA ALA 11 HA ALA 11 45.325 30.416 47.499 87 HB1 ALA 11 HB1 ALA 11 46.665 31.723 49.162 88 HB2 ALA 11 HB2 ALA 11 47.609 30.555 48.238 89 HB3 ALA 11 HB3 ALA 11 47.709 32.286 47.838 90 H LEU 12 H LEU 12 44.567 32.429 49.078 91 HA LEU 12 HA LEU 12 42.839 34.298 47.963 92 HB2 LEU 12 HB2 LEU 12 44.646 34.822 50.345 93 HB3 LEU 12 HB3 LEU 12 43.211 35.719 49.935 94 HG LEU 12 HG LEU 12 43.479 32.897 50.936 95 HD11 LEU 12 HD11 LEU 12 41.732 35.198 51.944 96 HD12 LEU 12 HD12 LEU 12 42.006 33.636 52.733 97 HD13 LEU 12 HD13 LEU 12 43.345 34.772 52.555 98 HD21 LEU 12 HD21 LEU 12 41.877 32.460 49.302 99 HD22 LEU 12 HD22 LEU 12 40.932 32.718 50.775 100 HD23 LEU 12 HD23 LEU 12 41.013 33.990 49.536 101 H ALA 13 H ALA 13 42.888 36.367 47.196 102 HA ALA 13 HA ALA 13 45.105 37.277 45.675 103 HB1 ALA 13 HB1 ALA 13 43.694 39.085 45.081 104 HB2 ALA 13 HB2 ALA 13 42.663 37.650 45.223 105 HB3 ALA 13 HB3 ALA 13 42.674 38.855 46.528 106 H GLU 14 H GLU 14 44.204 38.196 48.969 107 HA GLU 14 HA GLU 14 44.441 39.994 50.243 108 HB2 GLU 14 HB2 GLU 14 46.596 38.606 50.530 109 HB3 GLU 14 HB3 GLU 14 47.404 40.005 49.813 110 HG2 GLU 14 HG2 GLU 14 47.513 40.383 52.164 111 HG3 GLU 14 HG3 GLU 14 46.176 41.387 51.709 112 H ALA 15 H ALA 15 43.449 41.169 48.199 113 HA ALA 15 HA ALA 15 44.994 43.145 46.815 114 HB1 ALA 15 HB1 ALA 15 42.019 42.664 46.989 115 HB2 ALA 15 HB2 ALA 15 42.848 43.786 45.875 116 HB3 ALA 15 HB3 ALA 15 43.183 42.043 45.791 117 H ASP 16 H ASP 16 44.811 45.341 46.707 118 HA ASP 16 HA ASP 16 43.512 46.860 48.921 119 HB2 ASP 16 HB2 ASP 16 45.881 46.914 49.293 120 HB3 ASP 16 HB3 ASP 16 46.198 47.380 47.614 121 H ARG 17 H ARG 17 42.207 48.544 48.208 122 HA ARG 17 HA ARG 17 41.106 48.174 45.602 123 HB2 ARG 17 HB2 ARG 17 40.746 50.445 47.582 124 HB3 ARG 17 HB3 ARG 17 39.705 50.174 46.183 125 HG2 ARG 17 HG2 ARG 17 39.137 47.883 47.152 126 HG3 ARG 17 HG3 ARG 17 39.986 48.398 48.624 127 HD2 ARG 17 HD2 ARG 17 37.672 49.987 47.416 128 HD3 ARG 17 HD3 ARG 17 37.471 48.768 48.674 129 HE ARG 17 HE ARG 17 39.313 51.139 48.998 130 HH11 ARG 17 HH11 ARG 17 36.313 49.655 50.163 131 HH12 ARG 17 HH12 ARG 17 36.677 50.159 51.790 132 HH21 ARG 17 HH21 ARG 17 39.644 51.649 50.991 133 HH22 ARG 17 HH22 ARG 17 38.401 51.407 52.209 134 H THR 18 H THR 18 43.671 50.238 46.476 135 HA THR 18 HA THR 18 43.269 52.427 44.692 136 HB THR 18 HB THR 18 46.037 51.603 45.533 137 HG1 THR 18 HG1 THR 18 44.968 51.386 47.420 138 HG21 THR 18 HG21 THR 18 44.423 54.186 45.634 139 HG22 THR 18 HG22 THR 18 46.127 54.034 46.052 140 HG23 THR 18 HG23 THR 18 45.609 53.808 44.349 141 H LEU 19 H LEU 19 43.859 52.840 42.602 142 HA LEU 19 HA LEU 19 44.095 50.509 40.854 143 HB2 LEU 19 HB2 LEU 19 42.399 52.450 40.596 144 HB3 LEU 19 HB3 LEU 19 43.760 53.455 40.169 145 HG LEU 19 HG LEU 19 44.189 52.228 38.127 146 HD11 LEU 19 HD11 LEU 19 41.758 50.510 38.815 147 HD12 LEU 19 HD12 LEU 19 42.645 50.521 37.263 148 HD13 LEU 19 HD13 LEU 19 43.426 49.912 38.702 149 HD21 LEU 19 HD21 LEU 19 42.149 52.987 36.970 150 HD22 LEU 19 HD22 LEU 19 41.239 52.916 38.490 151 HD23 LEU 19 HD23 LEU 19 42.541 54.096 38.296 152 H PHE 20 H PHE 20 46.036 49.981 39.812 153 HA PHE 20 HA PHE 20 48.399 51.649 40.233 154 HB2 PHE 20 HB2 PHE 20 48.528 49.177 40.269 155 HB3 PHE 20 HB3 PHE 20 47.996 49.147 38.601 156 HD1 PHE 20 HD1 PHE 20 49.439 50.003 36.777 157 HD2 PHE 20 HD2 PHE 20 50.897 49.970 40.835 158 HE1 PHE 20 HE1 PHE 20 51.760 50.068 35.941 159 HE2 PHE 20 HE2 PHE 20 53.208 50.220 39.988 160 HZ PHE 20 HZ PHE 20 53.649 50.283 37.546 161 H VAL 21 H VAL 21 49.440 52.901 38.828 162 HA VAL 21 HA VAL 21 48.487 53.187 36.025 163 HB VAL 21 HB VAL 21 48.947 55.581 37.854 164 HG11 VAL 21 HG11 VAL 21 48.205 56.873 35.981 165 HG12 VAL 21 HG12 VAL 21 49.338 55.718 35.240 166 HG13 VAL 21 HG13 VAL 21 47.606 55.427 35.130 167 HG21 VAL 21 HG21 VAL 21 46.798 54.522 38.480 168 HG22 VAL 21 HG22 VAL 21 46.495 56.005 37.571 169 HG23 VAL 21 HG23 VAL 21 46.336 54.438 36.765 170 H GLY 22 H GLY 22 50.146 52.987 34.706 171 HA2 GLY 22 HA2 GLY 22 52.871 53.832 35.588 172 HA3 GLY 22 HA3 GLY 22 52.642 52.354 34.705 173 H ASN 23 H ASN 23 54.148 53.669 33.419 174 HA ASN 23 HA ASN 23 54.721 54.637 31.508 175 HB2 ASN 23 HB2 ASN 23 52.610 53.096 30.866 176 HB3 ASN 23 HB3 ASN 23 51.879 54.651 30.530 177 HD21 ASN 23 HD21 ASN 23 51.816 54.423 28.280 178 HD22 ASN 23 HD22 ASN 23 53.246 54.158 27.283 179 H LEU 24 H LEU 24 54.384 56.177 33.605 180 HA LEU 24 HA LEU 24 53.044 58.691 32.935 181 HB2 LEU 24 HB2 LEU 24 54.956 57.827 35.169 182 HB3 LEU 24 HB3 LEU 24 54.345 59.422 34.994 183 HG LEU 24 HG LEU 24 53.423 57.690 36.717 184 HD11 LEU 24 HD11 LEU 24 51.752 59.654 35.163 185 HD12 LEU 24 HD12 LEU 24 51.161 58.804 36.631 186 HD13 LEU 24 HD13 LEU 24 52.574 59.860 36.742 187 HD21 LEU 24 HD21 LEU 24 52.678 55.983 35.097 188 HD22 LEU 24 HD22 LEU 24 51.412 56.560 36.211 189 HD23 LEU 24 HD23 LEU 24 51.416 57.082 34.513 190 H GLU 25 H GLU 25 54.076 60.544 32.454 191 HA GLU 25 HA GLU 25 56.769 60.554 31.445 192 HB2 GLU 25 HB2 GLU 25 54.454 62.346 31.556 193 HB3 GLU 25 HB3 GLU 25 55.932 63.233 31.801 194 HG2 GLU 25 HG2 GLU 25 55.816 61.132 29.592 195 HG3 GLU 25 HG3 GLU 25 54.961 62.629 29.339 196 H THR 26 H THR 26 58.283 62.111 31.835 197 HA THR 26 HA THR 26 59.637 61.631 34.334 198 HB THR 26 HB THR 26 61.482 62.805 33.206 199 HG1 THR 26 HG1 THR 26 59.671 63.304 31.150 200 HG21 THR 26 HG21 THR 26 60.993 60.463 32.452 201 HG22 THR 26 HG22 THR 26 59.871 61.068 31.227 202 HG23 THR 26 HG23 THR 26 61.578 61.437 31.088 203 H LYS 27 H LYS 27 57.773 64.243 32.949 204 HA LYS 27 HA LYS 27 58.118 66.027 35.318 205 HB2 LYS 27 HB2 LYS 27 57.066 66.545 32.516 206 HB3 LYS 27 HB3 LYS 27 57.168 67.776 33.765 207 HG2 LYS 27 HG2 LYS 27 59.632 66.396 32.639 208 HG3 LYS 27 HG3 LYS 27 58.922 67.864 32.021 209 HD2 LYS 27 HD2 LYS 27 60.659 68.582 33.439 210 HD3 LYS 27 HD3 LYS 27 59.175 68.914 34.348 211 HE2 LYS 27 HE2 LYS 27 59.464 67.046 35.769 212 HE3 LYS 27 HE3 LYS 27 60.737 66.369 34.730 213 HZ1 LYS 27 HZ1 LYS 27 60.955 68.910 36.269 214 HZ2 LYS 27 HZ2 LYS 27 61.592 67.474 36.739 215 HZ3 LYS 27 HZ3 LYS 27 62.119 68.245 35.422 216 H VAL 28 H VAL 28 56.216 63.530 35.115 217 HA VAL 28 HA VAL 28 53.569 64.668 35.269 218 HB VAL 28 HB VAL 28 54.246 62.295 34.683 219 HG11 VAL 28 HG11 VAL 28 54.561 60.647 36.431 220 HG12 VAL 28 HG12 VAL 28 55.619 62.000 36.768 221 HG13 VAL 28 HG13 VAL 28 54.094 61.814 37.680 222 HG21 VAL 28 HG21 VAL 28 51.944 62.039 36.527 223 HG22 VAL 28 HG22 VAL 28 51.869 63.442 35.481 224 HG23 VAL 28 HG23 VAL 28 52.097 61.868 34.745 225 H THR 29 H THR 29 52.193 64.606 37.229 226 HA THR 29 HA THR 29 53.403 64.453 39.865 227 HB THR 29 HB THR 29 52.493 66.760 40.523 228 HG1 THR 29 HG1 THR 29 52.468 68.131 38.667 229 HG21 THR 29 HG21 THR 29 54.878 67.036 38.692 230 HG22 THR 29 HG22 THR 29 54.501 67.874 40.216 231 HG23 THR 29 HG23 THR 29 54.912 66.160 40.250 232 H GLU 30 H GLU 30 51.664 64.944 41.585 233 HA GLU 30 HA GLU 30 49.337 63.382 40.964 234 HB2 GLU 30 HB2 GLU 30 49.591 65.304 43.290 235 HB3 GLU 30 HB3 GLU 30 48.580 63.849 43.157 236 HG2 GLU 30 HG2 GLU 30 50.507 62.400 43.260 237 HG3 GLU 30 HG3 GLU 30 51.613 63.772 43.209 238 H GLU 31 H GLU 31 50.027 66.756 40.727 239 HA GLU 31 HA GLU 31 47.426 67.932 40.378 240 HB2 GLU 31 HB2 GLU 31 50.170 68.707 39.268 241 HB3 GLU 31 HB3 GLU 31 48.794 69.808 39.477 242 HG2 GLU 31 HG2 GLU 31 48.942 69.185 41.977 243 HG3 GLU 31 HG3 GLU 31 50.518 68.496 41.569 244 H LEU 32 H LEU 32 49.582 66.211 38.093 245 HA LEU 32 HA LEU 32 47.885 66.971 35.840 246 HB2 LEU 32 HB2 LEU 32 50.159 66.716 35.466 247 HB3 LEU 32 HB3 LEU 32 50.203 65.052 36.113 248 HG LEU 32 HG LEU 32 49.058 64.208 34.130 249 HD11 LEU 32 HD11 LEU 32 48.462 65.819 32.266 250 HD12 LEU 32 HD12 LEU 32 47.402 65.959 33.659 251 HD13 LEU 32 HD13 LEU 32 48.697 67.150 33.433 252 HD21 LEU 32 HD21 LEU 32 51.015 66.387 33.323 253 HD22 LEU 32 HD22 LEU 32 51.553 64.870 34.041 254 HD23 LEU 32 HD23 LEU 32 50.770 64.874 32.439 255 H LEU 33 H LEU 33 48.433 64.149 37.915 256 HA LEU 33 HA LEU 33 46.640 62.350 36.570 257 HB2 LEU 33 HB2 LEU 33 47.469 62.507 39.469 258 HB3 LEU 33 HB3 LEU 33 46.816 61.044 38.689 259 HG LEU 33 HG LEU 33 49.498 62.358 38.034 260 HD11 LEU 33 HD11 LEU 33 48.944 59.701 39.356 261 HD12 LEU 33 HD12 LEU 33 50.508 60.251 38.691 262 HD13 LEU 33 HD13 LEU 33 49.812 61.112 40.059 263 HD21 LEU 33 HD21 LEU 33 48.426 59.731 36.990 264 HD22 LEU 33 HD22 LEU 33 48.283 61.257 36.074 265 HD23 LEU 33 HD23 LEU 33 49.878 60.638 36.473 266 H PHE 34 H PHE 34 46.058 64.487 39.354 267 HA PHE 34 HA PHE 34 43.434 63.654 39.970 268 HB2 PHE 34 HB2 PHE 34 45.011 65.172 41.285 269 HB3 PHE 34 HB3 PHE 34 44.653 66.433 40.131 270 HD1 PHE 34 HD2 PHE 34 42.799 64.088 42.471 271 HD2 PHE 34 HD1 PHE 34 42.907 67.910 40.482 272 HE1 PHE 34 HE2 PHE 34 40.703 64.781 43.641 273 HE2 PHE 34 HE1 PHE 34 41.025 68.693 41.890 274 HZ PHE 34 HZ PHE 34 39.828 67.066 43.364 275 H GLU 35 H GLU 35 44.615 65.901 37.493 276 HA GLU 35 HA GLU 35 41.865 66.658 36.749 277 HB2 GLU 35 HB2 GLU 35 42.712 68.459 35.689 278 HB3 GLU 35 HB3 GLU 35 43.981 68.217 36.889 279 HG2 GLU 35 HG2 GLU 35 45.416 67.139 35.226 280 HG3 GLU 35 HG3 GLU 35 44.139 67.254 34.004 281 H LEU 36 H LEU 36 44.417 64.512 35.573 282 HA LEU 36 HA LEU 36 43.171 64.026 33.026 283 HB2 LEU 36 HB2 LEU 36 45.476 63.638 33.190 284 HB3 LEU 36 HB3 LEU 36 45.338 62.728 34.661 285 HG LEU 36 HG LEU 36 44.058 61.514 32.175 286 HD11 LEU 36 HD11 LEU 36 47.007 61.709 32.732 287 HD12 LEU 36 HD12 LEU 36 46.257 60.335 31.835 288 HD13 LEU 36 HD13 LEU 36 46.149 61.945 31.186 289 HD21 LEU 36 HD21 LEU 36 43.733 60.379 34.277 290 HD22 LEU 36 HD22 LEU 36 44.963 59.465 33.413 291 HD23 LEU 36 HD23 LEU 36 45.447 60.561 34.720 292 H PHE 37 H PHE 37 42.771 62.423 36.244 293 HA PHE 37 HA PHE 37 41.174 60.333 35.004 294 HB2 PHE 37 HB2 PHE 37 42.072 60.859 37.830 295 HB3 PHE 37 HB3 PHE 37 40.995 59.527 37.401 296 HD1 PHE 37 HD2 PHE 37 41.710 57.928 35.556 297 HD2 PHE 37 HD1 PHE 37 44.484 60.320 37.816 298 HE1 PHE 37 HE2 PHE 37 43.575 56.309 35.064 299 HE2 PHE 37 HE1 PHE 37 46.367 59.004 36.876 300 HZ PHE 37 HZ PHE 37 45.906 57.007 35.468 301 H HIS 38 H HIS 38 40.033 63.068 34.703 302 HA HIS 38 HA HIS 38 38.292 63.562 36.954 303 HB2 HIS 38 HB2 HIS 38 38.079 65.708 36.248 304 HB3 HIS 38 HB3 HIS 38 39.683 65.271 35.709 305 HD2 HIS 38 HD2 HIS 38 39.458 64.192 32.904 306 HE1 HIS 38 HE1 HIS 38 36.886 67.436 31.932 307 HE2 HIS 38 HE2 HIS 38 38.381 65.640 31.011 308 H GLN 39 H GLN 39 37.554 61.912 34.061 309 HA GLN 39 HA GLN 39 34.696 61.931 34.919 310 HB2 GLN 39 HB2 GLN 39 35.735 61.364 32.110 311 HB3 GLN 39 HB3 GLN 39 34.073 61.170 32.678 312 HG2 GLN 39 HG2 GLN 39 34.096 63.669 33.182 313 HG3 GLN 39 HG3 GLN 39 35.618 63.725 32.269 314 HE21 GLN 39 HE22 GLN 39 33.297 65.153 31.348 315 HE22 GLN 39 HE21 GLN 39 32.847 64.376 29.829 316 H ALA 40 H ALA 40 37.308 60.145 35.620 317 HA ALA 40 HA ALA 40 36.449 57.548 34.564 318 HB1 ALA 40 HB1 ALA 40 38.974 58.251 36.108 319 HB2 ALA 40 HB2 ALA 40 38.617 56.748 35.231 320 HB3 ALA 40 HB3 ALA 40 38.796 58.253 34.343 321 H GLY 41 H GLY 41 34.609 58.555 36.562 322 HA2 GLY 41 HA2 GLY 41 33.482 57.591 38.449 323 HA3 GLY 41 HA3 GLY 41 34.858 56.547 38.737 324 HA PRO 42 HA PRO 42 35.082 61.109 40.799 325 HB2 PRO 42 HB2 PRO 42 33.809 59.663 43.113 326 HB3 PRO 42 HB3 PRO 42 33.721 61.404 42.695 327 HG2 PRO 42 HG2 PRO 42 31.711 59.716 42.104 328 HG3 PRO 42 HG3 PRO 42 32.210 60.981 40.924 329 HD2 PRO 42 HD2 PRO 42 32.772 58.027 40.907 330 HD3 PRO 42 HD3 PRO 42 32.515 59.146 39.526 331 H VAL 43 H VAL 43 37.227 60.922 40.818 332 HA VAL 43 HA VAL 43 38.870 59.082 42.299 333 HB VAL 43 HB VAL 43 39.278 61.624 40.801 334 HG11 VAL 43 HG11 VAL 43 41.429 60.447 42.612 335 HG12 VAL 43 HG12 VAL 43 41.638 61.747 41.412 336 HG13 VAL 43 HG13 VAL 43 40.678 62.034 42.875 337 HG21 VAL 43 HG21 VAL 43 40.962 60.249 39.680 338 HG22 VAL 43 HG22 VAL 43 40.877 59.033 40.960 339 HG23 VAL 43 HG23 VAL 43 39.504 59.229 39.858 340 H ILE 44 H ILE 44 39.618 59.056 44.329 341 HA ILE 44 HA ILE 44 38.470 60.929 46.317 342 HB ILE 44 HB ILE 44 39.968 58.286 46.607 343 HG12 ILE 44 HG12 ILE 44 37.096 59.137 46.936 344 HG13 ILE 44 HG13 ILE 44 37.737 57.824 45.945 345 HG21 ILE 44 HG21 ILE 44 39.757 58.410 48.972 346 HG22 ILE 44 HG22 ILE 44 40.541 59.902 48.504 347 HG23 ILE 44 HG23 ILE 44 38.812 59.924 48.888 348 HD11 ILE 44 HD11 ILE 44 37.965 56.395 47.950 349 HD12 ILE 44 HD12 ILE 44 37.626 57.788 48.999 350 HD13 ILE 44 HD13 ILE 44 36.368 57.143 47.950 351 H LYS 45 H LYS 45 41.562 59.687 45.094 352 HA LYS 45 HA LYS 45 43.109 62.010 45.716 353 HB2 LYS 45 HB2 LYS 45 44.409 61.330 47.523 354 HB3 LYS 45 HB3 LYS 45 42.776 60.902 47.997 355 HG2 LYS 45 HG2 LYS 45 43.692 58.568 46.767 356 HG3 LYS 45 HG3 LYS 45 45.160 59.216 47.487 357 HD2 LYS 45 HD2 LYS 45 42.554 58.511 48.876 358 HD3 LYS 45 HD3 LYS 45 44.077 57.642 48.960 359 HE2 LYS 45 HE2 LYS 45 43.419 60.392 50.129 360 HE3 LYS 45 HE3 LYS 45 43.686 58.889 51.029 361 HZ1 LYS 45 HZ1 LYS 45 45.955 58.871 50.235 362 HZ2 LYS 45 HZ2 LYS 45 45.814 60.319 49.579 363 HZ3 LYS 45 HZ3 LYS 45 45.686 60.144 51.181 364 H VAL 46 H VAL 46 45.255 61.778 45.065 365 HA VAL 46 HA VAL 46 46.024 59.500 43.271 366 HB VAL 46 HB VAL 46 46.893 62.423 43.318 367 HG11 VAL 46 HG11 VAL 46 47.671 60.056 41.594 368 HG12 VAL 46 HG12 VAL 46 48.012 61.781 41.161 369 HG13 VAL 46 HG13 VAL 46 48.756 61.066 42.570 370 HG21 VAL 46 HG21 VAL 46 45.216 60.853 41.330 371 HG22 VAL 46 HG22 VAL 46 44.599 62.111 42.418 372 HG23 VAL 46 HG23 VAL 46 45.769 62.564 41.178 373 H LYS 47 H LYS 47 48.090 58.578 43.511 374 HA LYS 47 HA LYS 47 49.938 59.796 45.499 375 HB2 LYS 47 HB2 LYS 47 49.275 57.748 46.483 376 HB3 LYS 47 HB3 LYS 47 49.188 56.916 44.941 377 HG2 LYS 47 HG2 LYS 47 51.029 56.012 46.107 378 HG3 LYS 47 HG3 LYS 47 51.630 56.898 44.722 379 HD2 LYS 47 HD2 LYS 47 52.226 58.828 46.201 380 HD3 LYS 47 HD3 LYS 47 51.740 57.891 47.610 381 HE2 LYS 47 HE2 LYS 47 53.829 56.926 45.596 382 HE3 LYS 47 HE3 LYS 47 54.196 57.776 47.105 383 HZ1 LYS 47 HZ1 LYS 47 52.865 55.154 46.811 384 HZ2 LYS 47 HZ2 LYS 47 54.336 55.424 47.416 385 HZ3 LYS 47 HZ3 LYS 47 53.001 55.889 48.228 386 H ILE 48 H ILE 48 51.671 60.655 44.681 387 HA ILE 48 HA ILE 48 52.931 59.418 42.294 388 HB ILE 48 HB ILE 48 52.998 62.165 43.424 389 HG12 ILE 48 HG12 ILE 48 51.552 61.424 41.451 390 HG13 ILE 48 HG13 ILE 48 52.614 62.808 41.158 391 HG21 ILE 48 HG21 ILE 48 55.282 60.968 41.853 392 HG22 ILE 48 HG22 ILE 48 54.993 62.717 42.050 393 HG23 ILE 48 HG23 ILE 48 55.334 61.712 43.461 394 HD11 ILE 48 HD11 ILE 48 52.454 61.156 39.283 395 HD12 ILE 48 HD12 ILE 48 54.070 61.662 39.819 396 HD13 ILE 48 HD13 ILE 48 53.462 60.050 40.252 397 HA PRO 49 HA PRO 49 56.101 57.665 45.197 398 HB2 PRO 49 HB2 PRO 49 57.528 56.448 43.227 399 HB3 PRO 49 HB3 PRO 49 56.105 55.720 44.005 400 HG2 PRO 49 HG2 PRO 49 56.338 57.231 41.425 401 HG3 PRO 49 HG3 PRO 49 55.417 55.724 41.707 402 HD2 PRO 49 HD2 PRO 49 54.339 58.233 41.551 403 HD3 PRO 49 HD3 PRO 49 53.575 57.079 42.657 404 H LYS 50 H LYS 50 58.591 58.045 45.095 405 HA LYS 50 HA LYS 50 59.690 59.852 43.172 406 HB2 LYS 50 HB2 LYS 50 59.262 60.921 45.980 407 HB3 LYS 50 HB3 LYS 50 60.603 61.455 44.988 408 HG2 LYS 50 HG2 LYS 50 58.653 61.782 43.161 409 HG3 LYS 50 HG3 LYS 50 57.696 62.041 44.607 410 HD2 LYS 50 HD2 LYS 50 59.021 63.976 45.241 411 HD3 LYS 50 HD3 LYS 50 60.311 63.570 44.149 412 HE2 LYS 50 HE2 LYS 50 58.701 63.737 42.197 413 HE3 LYS 50 HE3 LYS 50 57.519 64.433 43.287 414 HZ1 LYS 50 HZ1 LYS 50 59.120 66.194 43.726 415 HZ2 LYS 50 HZ2 LYS 50 60.233 65.536 42.755 416 HZ3 LYS 50 HZ3 LYS 50 58.827 66.106 42.114 417 H ASP 51 H ASP 51 61.363 58.715 42.790 418 HA ASP 51 HA ASP 51 62.955 56.980 44.345 419 HB2 ASP 51 HB2 ASP 51 62.839 57.126 41.884 420 HB3 ASP 51 HB3 ASP 51 63.686 58.665 41.922 421 H LYS 52 H LYS 52 65.362 57.256 44.810 422 HA LYS 52 HA LYS 52 65.975 59.179 46.675 423 HB2 LYS 52 HB2 LYS 52 68.381 58.808 46.203 424 HB3 LYS 52 HB3 LYS 52 67.445 57.342 46.357 425 HG2 LYS 52 HG2 LYS 52 68.497 56.647 44.513 426 HG3 LYS 52 HG3 LYS 52 67.337 57.662 43.632 427 HD2 LYS 52 HD2 LYS 52 69.031 59.438 43.482 428 HD3 LYS 52 HD3 LYS 52 70.185 58.382 44.341 429 HE2 LYS 52 HE2 LYS 52 70.032 56.695 42.510 430 HE3 LYS 52 HE3 LYS 52 68.709 57.591 41.771 431 HZ1 LYS 52 HZ1 LYS 52 70.794 57.960 40.604 432 HZ2 LYS 52 HZ2 LYS 52 70.221 59.318 41.184 433 HZ3 LYS 52 HZ3 LYS 52 71.459 58.661 41.916 434 H ASP 53 H ASP 53 66.264 59.508 43.232 435 HA ASP 53 HA ASP 53 67.367 62.153 43.067 436 HB2 ASP 53 HB2 ASP 53 67.489 60.170 41.482 437 HB3 ASP 53 HB3 ASP 53 65.796 60.437 41.093 438 H GLY 54 H GLY 54 64.209 61.188 43.791 439 HA2 GLY 54 HA2 GLY 54 62.353 62.496 44.288 440 HA3 GLY 54 HA3 GLY 54 63.042 63.854 43.430 441 H LYS 55 H LYS 55 62.606 60.591 41.928 442 HA LYS 55 HA LYS 55 60.640 61.876 40.095 443 HB2 LYS 55 HB2 LYS 55 62.881 61.452 39.186 444 HB3 LYS 55 HB3 LYS 55 62.606 59.692 39.413 445 HG2 LYS 55 HG2 LYS 55 62.077 59.963 37.175 446 HG3 LYS 55 HG3 LYS 55 60.507 60.051 37.909 447 HD2 LYS 55 HD2 LYS 55 60.403 61.809 36.501 448 HD3 LYS 55 HD3 LYS 55 60.905 62.680 37.952 449 HE2 LYS 55 HE2 LYS 55 63.150 61.653 36.307 450 HE3 LYS 55 HE3 LYS 55 62.041 62.672 35.393 451 HZ1 LYS 55 HZ1 LYS 55 63.532 63.522 37.798 452 HZ2 LYS 55 HZ2 LYS 55 63.831 63.938 36.289 453 HZ3 LYS 55 HZ3 LYS 55 62.460 64.464 36.995 454 HA PRO 56 HA PRO 56 57.933 58.738 41.166 455 HB2 PRO 56 HB2 PRO 56 56.130 58.827 38.942 456 HB3 PRO 56 HB3 PRO 56 56.044 59.848 40.422 457 HG2 PRO 56 HG2 PRO 56 57.306 60.301 37.776 458 HG3 PRO 56 HG3 PRO 56 56.420 61.532 38.758 459 HD2 PRO 56 HD2 PRO 56 59.068 61.709 38.827 460 HD3 PRO 56 HD3 PRO 56 58.236 61.669 40.396 461 H LYS 57 H LYS 57 60.151 58.009 38.891 462 HA LYS 57 HA LYS 57 60.776 56.153 37.783 463 HB2 LYS 57 HB2 LYS 57 58.896 54.657 39.594 464 HB3 LYS 57 HB3 LYS 57 60.368 54.053 38.815 465 HG2 LYS 57 HG2 LYS 57 61.418 54.447 40.743 466 HG3 LYS 57 HG3 LYS 57 61.343 56.152 40.375 467 HD2 LYS 57 HD2 LYS 57 59.310 56.481 41.621 468 HD3 LYS 57 HD3 LYS 57 59.057 54.752 41.887 469 HE2 LYS 57 HE2 LYS 57 61.633 55.931 42.732 470 HE3 LYS 57 HE3 LYS 57 60.178 56.356 43.686 471 HZ1 LYS 57 HZ1 LYS 57 61.210 54.426 44.601 472 HZ2 LYS 57 HZ2 LYS 57 59.774 53.978 44.024 473 HZ3 LYS 57 HZ3 LYS 57 61.210 53.625 43.250 474 H GLN 58 H GLN 58 58.550 57.572 36.600 475 HA GLN 58 HA GLN 58 56.968 57.478 35.044 476 HB2 GLN 58 HB2 GLN 58 58.505 54.989 34.255 477 HB3 GLN 58 HB3 GLN 58 57.168 55.674 33.330 478 HG2 GLN 58 HG2 GLN 58 58.613 57.919 33.576 479 HG3 GLN 58 HG3 GLN 58 59.944 56.804 33.909 480 HE21 GLN 58 HE22 GLN 58 57.697 58.068 31.731 481 HE22 GLN 58 HE21 GLN 58 57.764 56.913 30.552 482 H PHE 59 H PHE 59 56.079 56.485 37.573 483 HA PHE 59 HA PHE 59 53.596 55.173 36.755 484 HB2 PHE 59 HB2 PHE 59 53.738 53.141 37.772 485 HB3 PHE 59 HB3 PHE 59 55.375 53.356 37.205 486 HD1 PHE 59 HD1 PHE 59 53.104 53.250 40.127 487 HD2 PHE 59 HD2 PHE 59 57.159 53.597 38.785 488 HE1 PHE 59 HE1 PHE 59 53.895 52.904 42.472 489 HE2 PHE 59 HE2 PHE 59 57.969 53.165 41.095 490 HZ PHE 59 HZ PHE 59 56.299 52.884 42.967 491 H ALA 60 H ALA 60 52.087 55.001 38.541 492 HA ALA 60 HA ALA 60 52.468 56.576 40.942 493 HB1 ALA 60 HB1 ALA 60 50.811 58.252 40.420 494 HB2 ALA 60 HB2 ALA 60 51.997 58.236 39.119 495 HB3 ALA 60 HB3 ALA 60 50.419 57.462 38.866 496 H PHE 61 H PHE 61 49.990 56.702 42.004 497 HA PHE 61 HA PHE 61 48.249 54.419 41.254 498 HB2 PHE 61 HB2 PHE 61 49.504 54.988 43.998 499 HB3 PHE 61 HB3 PHE 61 47.930 54.246 43.885 500 HD1 PHE 61 HD1 PHE 61 47.613 52.028 42.957 501 HD2 PHE 61 HD2 PHE 61 51.526 53.679 43.645 502 HE1 PHE 61 HE1 PHE 61 48.578 49.728 42.988 503 HE2 PHE 61 HE2 PHE 61 52.479 51.382 43.744 504 HZ PHE 61 HZ PHE 61 51.005 49.412 43.397 505 H VAL 62 H VAL 62 46.084 54.520 42.108 506 HA VAL 62 HA VAL 62 45.180 57.229 42.867 507 HB VAL 62 HB VAL 62 44.103 55.822 40.375 508 HG11 VAL 62 HG11 VAL 62 43.505 58.479 41.714 509 HG12 VAL 62 HG12 VAL 62 43.104 58.143 40.017 510 HG13 VAL 62 HG13 VAL 62 42.388 57.158 41.301 511 HG21 VAL 62 HG21 VAL 62 45.784 58.356 40.452 512 HG22 VAL 62 HG22 VAL 62 46.416 56.789 39.895 513 HG23 VAL 62 HG23 VAL 62 45.109 57.536 39.010 514 H ASN 63 H ASN 63 43.642 57.279 44.210 515 HA ASN 63 HA ASN 63 41.941 54.898 44.715 516 HB2 ASN 63 HB2 ASN 63 43.259 56.341 46.550 517 HB3 ASN 63 HB3 ASN 63 41.870 57.420 46.341 518 HD21 ASN 63 HD22 ASN 63 42.986 54.220 47.316 519 HD22 ASN 63 HD21 ASN 63 41.481 53.728 48.070 520 H PHE 64 H PHE 64 39.898 54.907 44.017 521 HA PHE 64 HA PHE 64 38.362 57.367 43.642 522 HB2 PHE 64 HB2 PHE 64 37.769 56.966 41.389 523 HB3 PHE 64 HB3 PHE 64 39.517 56.902 41.442 524 HD1 PHE 64 HD2 PHE 64 40.345 54.197 41.981 525 HD2 PHE 64 HD1 PHE 64 36.803 55.515 39.892 526 HE1 PHE 64 HE2 PHE 64 40.342 52.120 40.629 527 HE2 PHE 64 HE1 PHE 64 36.830 53.424 38.552 528 HZ PHE 64 HZ PHE 64 38.660 51.755 38.895 529 H LYS 65 H LYS 65 36.062 56.891 42.986 530 HA LYS 65 HA LYS 65 35.103 54.147 43.610 531 HB2 LYS 65 HB2 LYS 65 33.978 56.753 44.685 532 HB3 LYS 65 HB3 LYS 65 32.946 55.340 44.477 533 HG2 LYS 65 HG2 LYS 65 34.351 54.006 45.961 534 HG3 LYS 65 HG3 LYS 65 35.500 55.359 46.116 535 HD2 LYS 65 HD2 LYS 65 33.771 56.775 47.080 536 HD3 LYS 65 HD3 LYS 65 32.556 55.479 46.905 537 HE2 LYS 65 HE2 LYS 65 33.816 54.075 48.487 538 HE3 LYS 65 HE3 LYS 65 35.088 55.275 48.577 539 HZ1 LYS 65 HZ1 LYS 65 32.350 56.022 49.426 540 HZ2 LYS 65 HZ2 LYS 65 33.360 55.308 50.453 541 HZ3 LYS 65 HZ3 LYS 65 33.745 56.731 49.776 542 H HIS 66 H HIS 66 33.286 53.473 42.636 543 HA HIS 66 HA HIS 66 31.925 54.991 40.589 544 HB2 HIS 66 HB2 HIS 66 33.989 54.394 39.420 545 HB3 HIS 66 HB3 HIS 66 33.737 52.667 39.729 546 HD2 HIS 66 HD2 HIS 66 32.256 55.770 38.027 547 HE1 HIS 66 HE1 HIS 66 30.394 52.512 36.066 548 HE2 HIS 66 HE2 HIS 66 30.715 55.010 36.088 549 H GLU 67 H GLU 67 30.450 53.293 39.347 550 HA GLU 67 HA GLU 67 28.709 52.357 41.436 551 HB2 GLU 67 HB2 GLU 67 28.283 51.974 38.436 552 HB3 GLU 67 HB3 GLU 67 27.079 52.110 39.708 553 HG2 GLU 67 HG2 GLU 67 27.287 54.418 39.881 554 HG3 GLU 67 HG3 GLU 67 28.855 54.511 39.109 555 H VAL 68 H VAL 68 31.144 50.850 39.671 556 HA VAL 68 HA VAL 68 30.667 48.116 40.717 557 HB VAL 68 HB VAL 68 31.428 48.862 37.876 558 HG11 VAL 68 HG11 VAL 68 30.815 46.050 38.890 559 HG12 VAL 68 HG12 VAL 68 31.383 46.536 37.290 560 HG13 VAL 68 HG13 VAL 68 32.464 46.693 38.663 561 HG21 VAL 68 HG21 VAL 68 28.815 47.717 38.941 562 HG22 VAL 68 HG22 VAL 68 29.042 49.245 38.082 563 HG23 VAL 68 HG23 VAL 68 29.253 47.722 37.219 564 H SER 69 H SER 69 32.755 47.063 40.986 565 HA SER 69 HA SER 69 34.987 48.846 41.578 566 HB2 SER 69 HB2 SER 69 34.768 45.835 41.695 567 HB3 SER 69 HB3 SER 69 36.069 46.812 42.387 568 HG SER 69 HG SER 69 34.149 46.137 43.677 569 H VAL 70 H VAL 70 34.771 49.289 38.992 570 HA VAL 70 HA VAL 70 36.424 47.331 37.459 571 HB VAL 70 HB VAL 70 35.566 48.708 35.469 572 HG11 VAL 70 HG11 VAL 70 34.721 46.639 35.338 573 HG12 VAL 70 HG12 VAL 70 34.144 46.596 37.006 574 HG13 VAL 70 HG13 VAL 70 33.199 47.428 35.750 575 HG21 VAL 70 HG21 VAL 70 33.441 49.866 35.677 576 HG22 VAL 70 HG22 VAL 70 33.411 49.589 37.432 577 HG23 VAL 70 HG23 VAL 70 34.647 50.626 36.708 578 HA PRO 71 HA PRO 71 39.507 50.618 37.094 579 HB2 PRO 71 HB2 PRO 71 41.210 49.708 35.285 580 HB3 PRO 71 HB3 PRO 71 40.961 48.837 36.823 581 HG2 PRO 71 HG2 PRO 71 39.706 48.181 34.133 582 HG3 PRO 71 HG3 PRO 71 40.540 47.075 35.233 583 HD2 PRO 71 HD2 PRO 71 37.768 47.413 35.282 584 HD3 PRO 71 HD3 PRO 71 38.723 46.989 36.725 585 H TYR 72 H TYR 72 37.624 51.969 36.320 586 HA TYR 72 HA TYR 72 36.622 51.998 33.731 587 HB2 TYR 72 HB2 TYR 72 35.740 53.058 35.848 588 HB3 TYR 72 HB3 TYR 72 36.752 54.437 35.525 589 HD1 TYR 72 HD1 TYR 72 36.459 55.617 33.183 590 HD2 TYR 72 HD2 TYR 72 33.738 52.581 34.595 591 HE1 TYR 72 HE1 TYR 72 34.668 56.621 31.870 592 HE2 TYR 72 HE2 TYR 72 31.910 53.598 33.288 593 HH TYR 72 HH TYR 72 32.380 56.627 31.568 594 H ALA 73 H ALA 73 39.317 53.962 35.012 595 HA ALA 73 HA ALA 73 39.744 55.548 32.714 596 HB1 ALA 73 HB1 ALA 73 41.617 54.715 34.929 597 HB2 ALA 73 HB2 ALA 73 42.033 55.843 33.607 598 HB3 ALA 73 HB3 ALA 73 40.725 56.249 34.723 599 H MET 74 H MET 74 40.836 52.155 33.310 600 HA MET 74 HA MET 74 42.853 52.033 31.328 601 HB2 MET 74 HB2 MET 74 42.119 50.362 33.230 602 HB3 MET 74 HB3 MET 74 41.043 49.702 31.982 603 HG2 MET 74 HG2 MET 74 42.932 49.415 30.472 604 HG3 MET 74 HG3 MET 74 44.008 50.252 31.594 605 HE1 MET 74 HE1 MET 74 41.409 47.257 32.498 606 HE2 MET 74 HE2 MET 74 42.018 47.131 30.827 607 HE3 MET 74 HE3 MET 74 42.546 45.950 32.059 608 H ASN 75 H ASN 75 39.392 52.238 31.023 609 HA ASN 75 HA ASN 75 39.653 51.811 28.096 610 HB2 ASN 75 HB2 ASN 75 37.884 50.461 29.057 611 HB3 ASN 75 HB3 ASN 75 37.268 51.836 29.982 612 HD21 ASN 75 HD22 ASN 75 35.695 53.128 29.014 613 HD22 ASN 75 HD21 ASN 75 35.232 53.043 27.330 614 H LEU 76 H LEU 76 38.733 54.396 30.418 615 HA LEU 76 HA LEU 76 37.616 56.116 28.462 616 HB2 LEU 76 HB2 LEU 76 37.281 56.144 30.947 617 HB3 LEU 76 HB3 LEU 76 38.936 56.712 31.135 618 HG LEU 76 HG LEU 76 38.423 58.824 30.046 619 HD11 LEU 76 HD11 LEU 76 36.147 59.393 29.306 620 HD12 LEU 76 HD12 LEU 76 36.773 58.054 28.354 621 HD13 LEU 76 HD13 LEU 76 35.617 57.719 29.664 622 HD21 LEU 76 HD21 LEU 76 37.936 58.559 32.454 623 HD22 LEU 76 HD22 LEU 76 36.776 59.671 31.712 624 HD23 LEU 76 HD23 LEU 76 36.289 58.004 32.073 625 H LEU 77 H LEU 77 40.845 55.673 29.584 626 HA LEU 77 HA LEU 77 42.073 57.939 28.042 627 HB2 LEU 77 HB2 LEU 77 43.016 56.918 30.752 628 HB3 LEU 77 HB3 LEU 77 43.629 58.263 29.806 629 HG LEU 77 HG LEU 77 40.811 58.063 30.963 630 HD11 LEU 77 HD11 LEU 77 43.229 59.580 31.934 631 HD12 LEU 77 HD12 LEU 77 41.580 59.678 32.617 632 HD13 LEU 77 HD13 LEU 77 42.509 58.170 32.749 633 HD21 LEU 77 HD21 LEU 77 42.318 60.561 30.036 634 HD22 LEU 77 HD22 LEU 77 41.180 59.710 28.965 635 HD23 LEU 77 HD23 LEU 77 40.617 60.444 30.472 636 H ASN 78 H ASN 78 43.816 55.508 29.819 637 HA ASN 78 HA ASN 78 45.714 54.424 29.088 638 HB2 ASN 78 HB2 ASN 78 43.842 53.037 29.784 639 HB3 ASN 78 HB3 ASN 78 43.361 52.797 28.067 640 HD21 ASN 78 HD22 ASN 78 45.207 51.574 26.781 641 HD22 ASN 78 HD21 ASN 78 46.104 50.403 27.734 642 H GLY 79 H GLY 79 46.573 55.914 27.661 643 HA2 GLY 79 HA2 GLY 79 47.942 55.269 25.549 644 HA3 GLY 79 HA3 GLY 79 46.359 55.282 24.755 645 H ILE 80 H ILE 80 46.895 57.673 27.332 646 HA ILE 80 HA ILE 80 47.030 59.772 25.269 647 HB ILE 80 HB ILE 80 45.228 61.016 26.247 648 HG12 ILE 80 HG12 ILE 80 43.768 59.502 27.959 649 HG13 ILE 80 HG13 ILE 80 45.463 59.172 28.466 650 HG21 ILE 80 HG21 ILE 80 44.072 58.212 26.017 651 HG22 ILE 80 HG22 ILE 80 43.421 59.761 25.409 652 HG23 ILE 80 HG23 ILE 80 44.778 58.971 24.592 653 HD11 ILE 80 HD11 ILE 80 45.804 61.600 28.786 654 HD12 ILE 80 HD12 ILE 80 44.203 61.925 28.071 655 HD13 ILE 80 HD13 ILE 80 44.336 61.125 29.645 656 H LYS 81 H LYS 81 47.528 61.777 25.984 657 HA LYS 81 HA LYS 81 48.904 62.390 28.430 658 HB2 LYS 81 HB2 LYS 81 51.214 62.317 27.271 659 HB3 LYS 81 HB3 LYS 81 50.470 60.902 27.942 660 HG2 LYS 81 HG2 LYS 81 51.495 60.211 25.979 661 HG3 LYS 81 HG3 LYS 81 49.753 60.163 25.657 662 HD2 LYS 81 HD2 LYS 81 50.050 62.292 24.324 663 HD3 LYS 81 HD3 LYS 81 51.765 62.235 24.839 664 HE2 LYS 81 HE2 LYS 81 51.919 59.987 23.707 665 HE3 LYS 81 HE3 LYS 81 50.294 60.211 23.055 666 HZ1 LYS 81 HZ1 LYS 81 52.523 62.062 22.517 667 HZ2 LYS 81 HZ2 LYS 81 52.127 60.869 21.488 668 HZ3 LYS 81 HZ3 LYS 81 51.078 62.063 21.783 669 H LEU 82 H LEU 82 50.577 64.219 27.720 670 HA LEU 82 HA LEU 82 50.052 65.572 25.206 671 HB2 LEU 82 HB2 LEU 82 48.468 66.850 26.270 672 HB3 LEU 82 HB3 LEU 82 49.347 67.030 27.765 673 HG LEU 82 HG LEU 82 51.058 68.419 26.558 674 HD11 LEU 82 HD11 LEU 82 50.148 69.551 24.433 675 HD12 LEU 82 HD12 LEU 82 50.835 67.945 24.234 676 HD13 LEU 82 HD13 LEU 82 49.067 68.150 24.269 677 HD21 LEU 82 HD21 LEU 82 49.690 70.415 26.652 678 HD22 LEU 82 HD22 LEU 82 48.196 69.472 26.460 679 HD23 LEU 82 HD23 LEU 82 49.183 69.303 27.929 680 H TYR 83 H TYR 83 51.980 65.417 28.252 681 HA TYR 83 HA TYR 83 54.360 66.567 27.322 682 HB2 TYR 83 HB2 TYR 83 53.744 64.305 29.259 683 HB3 TYR 83 HB3 TYR 83 55.393 64.854 28.934 684 HD1 TYR 83 HD1 TYR 83 55.752 67.436 29.092 685 HD2 TYR 83 HD2 TYR 83 52.808 65.203 31.313 686 HE1 TYR 83 HE1 TYR 83 55.939 69.056 30.966 687 HE2 TYR 83 HE2 TYR 83 53.120 66.751 33.249 688 HH TYR 83 HH TYR 83 55.290 69.520 33.080 689 H GLY 84 H GLY 84 53.461 63.076 27.093 690 HA2 GLY 84 HA2 GLY 84 54.521 62.534 24.549 691 HA3 GLY 84 HA3 GLY 84 55.897 62.354 25.628 692 H ARG 85 H ARG 85 54.772 61.056 27.847 693 HA ARG 85 HA ARG 85 54.500 58.351 26.614 694 HB2 ARG 85 HB2 ARG 85 55.280 59.172 29.408 695 HB3 ARG 85 HB3 ARG 85 54.971 57.531 28.872 696 HG2 ARG 85 HG2 ARG 85 57.260 57.515 28.559 697 HG3 ARG 85 HG3 ARG 85 56.788 58.086 26.979 698 HD2 ARG 85 HD2 ARG 85 57.101 60.458 27.868 699 HD3 ARG 85 HD3 ARG 85 57.809 59.750 29.329 700 HE ARG 85 HE ARG 85 59.006 59.879 26.633 701 HH11 ARG 85 HH11 ARG 85 59.400 58.363 29.901 702 HH12 ARG 85 HH12 ARG 85 61.100 58.293 29.591 703 HH21 ARG 85 HH21 ARG 85 61.040 59.367 26.439 704 HH22 ARG 85 HH22 ARG 85 61.950 58.466 27.633 705 HA PRO 86 HA PRO 86 50.218 58.894 27.563 706 HB2 PRO 86 HB2 PRO 86 49.305 56.520 26.552 707 HB3 PRO 86 HB3 PRO 86 49.824 57.909 25.516 708 HG2 PRO 86 HG2 PRO 86 51.424 55.457 26.233 709 HG3 PRO 86 HG3 PRO 86 51.189 56.245 24.620 710 HD2 PRO 86 HD2 PRO 86 53.380 56.694 26.191 711 HD3 PRO 86 HD3 PRO 86 52.674 57.972 25.188 712 H ILE 87 H ILE 87 49.157 58.621 29.467 713 HA ILE 87 HA ILE 87 50.015 56.911 31.555 714 HB ILE 87 HB ILE 87 47.401 58.284 30.866 715 HG12 ILE 87 HG12 ILE 87 49.109 59.757 31.588 716 HG13 ILE 87 HG13 ILE 87 47.903 59.615 32.905 717 HG21 ILE 87 HG21 ILE 87 47.803 56.352 33.114 718 HG22 ILE 87 HG22 ILE 87 46.675 57.723 33.318 719 HG23 ILE 87 HG23 ILE 87 46.413 56.595 32.009 720 HD11 ILE 87 HD11 ILE 87 50.654 58.398 32.978 721 HD12 ILE 87 HD12 ILE 87 49.999 59.770 33.896 722 HD13 ILE 87 HD13 ILE 87 49.335 58.154 34.169 723 H LYS 88 H LYS 88 49.848 54.896 31.860 724 HA LYS 88 HA LYS 88 47.865 53.233 30.383 725 HB2 LYS 88 HB2 LYS 88 50.253 52.966 29.761 726 HB3 LYS 88 HB3 LYS 88 50.625 52.588 31.466 727 HG2 LYS 88 HG2 LYS 88 50.516 50.628 29.974 728 HG3 LYS 88 HG3 LYS 88 49.470 50.572 31.420 729 HD2 LYS 88 HD2 LYS 88 47.549 50.775 30.285 730 HD3 LYS 88 HD3 LYS 88 48.281 51.476 28.807 731 HE2 LYS 88 HE2 LYS 88 49.030 48.717 29.774 732 HE3 LYS 88 HE3 LYS 88 47.475 48.930 28.966 733 HZ1 LYS 88 HZ1 LYS 88 50.169 49.314 27.843 734 HZ2 LYS 88 HZ2 LYS 88 48.939 48.400 27.309 735 HZ3 LYS 88 HZ3 LYS 88 48.843 49.996 27.114 736 H ILE 89 H ILE 89 46.282 52.528 31.681 737 HA ILE 89 HA ILE 89 46.735 52.308 34.607 738 HB ILE 89 HB ILE 89 44.228 51.903 32.958 739 HG12 ILE 89 HG12 ILE 89 43.643 54.135 34.288 740 HG13 ILE 89 HG13 ILE 89 45.388 54.375 34.304 741 HG21 ILE 89 HG21 ILE 89 44.772 52.260 35.935 742 HG22 ILE 89 HG22 ILE 89 43.142 52.069 35.196 743 HG23 ILE 89 HG23 ILE 89 44.290 50.736 35.200 744 HD11 ILE 89 HD11 ILE 89 43.900 53.838 31.725 745 HD12 ILE 89 HD12 ILE 89 43.949 55.450 32.449 746 HD13 ILE 89 HD13 ILE 89 45.471 54.665 31.969 747 H GLN 90 H GLN 90 46.784 50.355 35.653 748 HA GLN 90 HA GLN 90 46.370 47.870 34.065 749 HB2 GLN 90 HB2 GLN 90 48.584 48.301 36.078 750 HB3 GLN 90 HB3 GLN 90 48.191 46.774 35.369 751 HG2 GLN 90 HG2 GLN 90 49.057 49.188 33.694 752 HG3 GLN 90 HG3 GLN 90 50.118 47.910 34.311 753 HE21 GLN 90 HE22 GLN 90 47.218 48.390 32.079 754 HE22 GLN 90 HE21 GLN 90 47.658 47.004 31.117 755 H PHE 91 H PHE 91 46.118 46.000 35.583 756 HA PHE 91 HA PHE 91 44.424 46.682 37.904 757 HB2 PHE 91 HB2 PHE 91 43.078 47.103 35.756 758 HB3 PHE 91 HB3 PHE 91 43.302 45.386 35.417 759 HD1 PHE 91 HD2 PHE 91 42.206 47.403 38.446 760 HD2 PHE 91 HD1 PHE 91 41.281 44.240 35.663 761 HE1 PHE 91 HE2 PHE 91 40.251 46.789 39.800 762 HE2 PHE 91 HE1 PHE 91 39.244 43.708 36.972 763 HZ PHE 91 HZ PHE 91 38.770 44.910 39.087 764 H ARG 92 H ARG 92 43.586 44.895 39.046 765 HA ARG 92 HA ARG 92 44.046 42.213 38.014 766 HB2 ARG 92 HB2 ARG 92 46.013 42.849 39.478 767 HB3 ARG 92 HB3 ARG 92 44.939 42.974 40.850 768 HG2 ARG 92 HG2 ARG 92 46.066 40.748 40.775 769 HG3 ARG 92 HG3 ARG 92 44.320 40.574 40.616 770 HD2 ARG 92 HD2 ARG 92 44.471 39.868 38.427 771 HD3 ARG 92 HD3 ARG 92 45.914 40.913 38.118 772 HE ARG 92 HE ARG 92 46.367 38.683 39.941 773 HH11 ARG 92 HH11 ARG 92 46.596 39.732 36.570 774 HH12 ARG 92 HH12 ARG 92 47.998 38.735 36.294 775 HH21 ARG 92 HH21 ARG 92 48.077 37.602 39.561 776 HH22 ARG 92 HH22 ARG 92 48.687 37.388 37.917 777 H SER 93 H SER 93 42.398 40.903 38.281 778 HA SER 93 HA SER 93 39.998 42.054 39.563 779 HB2 SER 93 HB2 SER 93 38.701 40.670 38.034 780 HB3 SER 93 HB3 SER 93 39.920 41.573 37.150 781 HG SER 93 HG SER 93 41.207 39.679 37.205 782 H GLY 94 H GLY 94 38.512 40.760 40.813 783 HA2 GLY 94 HA2 GLY 94 39.149 38.001 41.501 784 HA3 GLY 94 HA3 GLY 94 39.282 39.115 42.864 785 H SER 95 H SER 95 37.484 37.269 43.289 786 HA SER 95 HA SER 95 34.890 37.999 42.065 787 HB2 SER 95 HB2 SER 95 35.324 35.638 43.914 788 HB3 SER 95 HB3 SER 95 34.046 35.921 42.710 789 HG SER 95 HG SER 95 35.716 35.736 41.157 790 H SER 96 H SER 96 35.449 40.107 43.571 791 HA SER 96 HA SER 96 34.306 39.612 46.260 792 HB2 SER 96 HB2 SER 96 35.829 42.007 45.196 793 HB3 SER 96 HB3 SER 96 34.912 42.011 46.697 794 HG SER 96 HG SER 96 37.171 41.377 46.750 795 H HIS 97 H HIS 97 32.669 40.678 47.097 796 HA HIS 97 HA HIS 97 31.075 42.635 45.678 797 HB2 HIS 97 HB2 HIS 97 29.018 41.244 45.533 798 HB3 HIS 97 HB3 HIS 97 30.330 40.613 44.556 799 HD2 HIS 97 HD2 HIS 97 31.072 38.196 44.881 800 HE1 HIS 97 HE1 HIS 97 28.897 37.232 48.399 801 HE2 HIS 97 HE2 HIS 97 30.350 36.318 46.554 802 H ALA 98 H ALA 98 28.977 43.091 47.043 803 HA ALA 98 HA ALA 98 29.223 42.570 49.916 804 HB1 ALA 98 HB1 ALA 98 30.654 44.532 49.771 805 HB2 ALA 98 HB2 ALA 98 29.435 45.394 48.779 806 HB3 ALA 98 HB3 ALA 98 29.100 45.002 50.464 807 HA PRO 99 HA PRO 99 24.796 43.330 49.466 808 HB2 PRO 99 HB2 PRO 99 24.010 43.403 52.049 809 HB3 PRO 99 HB3 PRO 99 24.775 41.950 51.348 810 HG2 PRO 99 HG2 PRO 99 26.168 44.122 52.980 811 HG3 PRO 99 HG3 PRO 99 26.197 42.342 53.231 812 HD2 PRO 99 HD2 PRO 99 28.119 43.687 51.810 813 HD3 PRO 99 HD3 PRO 99 27.639 42.010 51.483 814 H GLN 100 H GLN 100 23.058 44.917 50.162 815 HA GLN 100 HA GLN 100 23.819 47.718 50.220 816 HB2 GLN 100 HB2 GLN 100 21.162 46.240 50.500 817 HB3 GLN 100 HB3 GLN 100 21.301 47.987 50.727 818 HG2 GLN 100 HG2 GLN 100 22.335 48.226 48.530 819 HG3 GLN 100 HG3 GLN 100 22.109 46.481 48.215 820 HE21 GLN 100 HE22 GLN 100 20.543 49.630 48.606 821 HE22 GLN 100 HE21 GLN 100 19.065 49.136 47.791 822 H ASP 101 H ASP 101 22.626 45.382 52.597 823 HA ASP 101 HA ASP 101 24.001 46.604 54.857 824 HB2 ASP 101 HB2 ASP 101 22.155 48.043 54.993 825 HB3 ASP 101 HB3 ASP 101 20.978 46.780 54.730 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 76.725 49.008 31.725 2 H2 GLY 1 H2 GLY 1 77.260 50.556 31.589 3 H3 GLY 1 H3 GLY 1 77.648 49.433 30.452 4 HA2 GLY 1 HA2 GLY 1 75.943 50.968 29.696 5 HA3 GLY 1 HA3 GLY 1 75.502 49.234 29.652 6 H SER 2 H SER 2 74.191 52.108 30.391 7 HA SER 2 HA SER 2 72.879 51.341 32.905 8 HB2 SER 2 HB2 SER 2 73.870 53.496 32.507 9 HB3 SER 2 HB3 SER 2 72.603 53.895 31.316 10 HG SER 2 HG SER 2 72.436 54.316 33.737 11 H GLU 3 H GLU 3 70.510 51.464 33.246 12 HA GLU 3 HA GLU 3 69.458 49.654 31.195 13 HB2 GLU 3 HB2 GLU 3 67.864 48.914 32.801 14 HB3 GLU 3 HB3 GLU 3 69.524 48.794 33.368 15 HG2 GLU 3 HG2 GLU 3 68.964 51.151 34.471 16 HG3 GLU 3 HG3 GLU 3 67.303 50.577 34.280 17 H PHE 4 H PHE 4 67.400 49.767 30.252 18 HA PHE 4 HA PHE 4 65.900 52.315 30.426 19 HB2 PHE 4 HB2 PHE 4 67.586 52.554 28.660 20 HB3 PHE 4 HB3 PHE 4 66.939 51.172 27.810 21 HD1 PHE 4 HD2 PHE 4 66.029 54.603 29.082 22 HD2 PHE 4 HD1 PHE 4 65.325 51.550 26.134 23 HE1 PHE 4 HE2 PHE 4 64.762 56.233 27.691 24 HE2 PHE 4 HE1 PHE 4 64.137 53.224 24.702 25 HZ PHE 4 HZ PHE 4 63.912 55.561 25.460 26 H GLU 5 H GLU 5 65.908 48.918 29.228 27 HA GLU 5 HA GLU 5 62.969 48.843 29.065 28 HB2 GLU 5 HB2 GLU 5 65.276 46.996 28.394 29 HB3 GLU 5 HB3 GLU 5 63.610 46.412 28.300 30 HG2 GLU 5 HG2 GLU 5 64.513 48.923 26.871 31 HG3 GLU 5 HG3 GLU 5 64.620 47.323 26.151 32 H LEU 6 H LEU 6 64.865 48.649 31.606 33 HA LEU 6 HA LEU 6 64.153 46.174 32.949 34 HB2 LEU 6 HB2 LEU 6 65.835 48.515 33.395 35 HB3 LEU 6 HB3 LEU 6 64.870 48.187 34.818 36 HG LEU 6 HG LEU 6 67.110 47.141 34.807 37 HD11 LEU 6 HD11 LEU 6 66.318 44.976 35.726 38 HD12 LEU 6 HD12 LEU 6 65.419 46.397 36.284 39 HD13 LEU 6 HD13 LEU 6 64.697 45.302 35.081 40 HD21 LEU 6 HD21 LEU 6 67.066 46.534 32.359 41 HD22 LEU 6 HD22 LEU 6 67.769 45.400 33.535 42 HD23 LEU 6 HD23 LEU 6 66.178 45.068 32.811 43 H ARG 7 H ARG 7 62.872 45.883 34.787 44 HA ARG 7 HA ARG 7 60.634 47.677 35.413 45 HB2 ARG 7 HB2 ARG 7 60.174 46.223 37.193 46 HB3 ARG 7 HB3 ARG 7 60.256 45.494 35.573 47 HG2 ARG 7 HG2 ARG 7 62.902 45.266 36.606 48 HG3 ARG 7 HG3 ARG 7 61.859 44.997 38.003 49 HD2 ARG 7 HD2 ARG 7 61.427 43.774 35.239 50 HD3 ARG 7 HD3 ARG 7 62.601 43.049 36.344 51 HE ARG 7 HE ARG 7 60.879 42.410 37.872 52 HH11 ARG 7 HH11 ARG 7 59.336 43.498 34.790 53 HH12 ARG 7 HH12 ARG 7 57.853 42.807 35.399 54 HH21 ARG 7 HH21 ARG 7 59.019 41.504 38.233 55 HH22 ARG 7 HH22 ARG 7 57.639 41.896 37.220 56 H ARG 8 H ARG 8 60.495 48.918 37.266 57 HA ARG 8 HA ARG 8 62.640 49.160 39.296 58 HB2 ARG 8 HB2 ARG 8 62.963 50.817 37.418 59 HB3 ARG 8 HB3 ARG 8 61.490 51.625 37.988 60 HG2 ARG 8 HG2 ARG 8 62.676 51.914 40.231 61 HG3 ARG 8 HG3 ARG 8 64.090 51.129 39.513 62 HD2 ARG 8 HD2 ARG 8 64.233 52.987 37.814 63 HD3 ARG 8 HD3 ARG 8 62.824 53.719 38.541 64 HE ARG 8 HE ARG 8 64.077 54.408 40.439 65 HH11 ARG 8 HH11 ARG 8 66.239 52.533 38.320 66 HH12 ARG 8 HH12 ARG 8 67.630 53.143 39.208 67 HH21 ARG 8 HH21 ARG 8 65.829 54.831 41.502 68 HH22 ARG 8 HH22 ARG 8 67.434 54.322 40.956 69 H GLN 9 H GLN 9 60.545 47.721 39.840 70 HA GLN 9 HA GLN 9 58.184 49.145 40.745 71 HB2 GLN 9 HB2 GLN 9 59.043 46.282 41.351 72 HB3 GLN 9 HB3 GLN 9 57.453 46.963 41.604 73 HG2 GLN 9 HG2 GLN 9 57.311 47.454 39.120 74 HG3 GLN 9 HG3 GLN 9 58.805 46.534 38.907 75 HE21 GLN 9 HE22 GLN 9 56.452 45.796 37.611 76 HE22 GLN 9 HE21 GLN 9 55.984 44.234 38.285 77 H GLN 10 H GLN 10 57.280 48.599 43.012 78 HA GLN 10 HA GLN 10 59.377 49.098 45.075 79 HB2 GLN 10 HB2 GLN 10 57.773 50.405 46.297 80 HB3 GLN 10 HB3 GLN 10 57.835 51.000 44.649 81 HG2 GLN 10 HG2 GLN 10 55.755 49.857 44.073 82 HG3 GLN 10 HG3 GLN 10 55.690 49.078 45.658 83 HE21 GLN 10 HE22 GLN 10 53.563 50.027 46.122 84 HE22 GLN 10 HE21 GLN 10 53.496 51.693 46.578 85 H ALA 11 H ALA 11 56.768 46.836 44.373 86 HA ALA 11 HA ALA 11 57.148 45.268 46.813 87 HB1 ALA 11 HB1 ALA 11 54.828 47.216 46.457 88 HB2 ALA 11 HB2 ALA 11 54.621 45.738 47.398 89 HB3 ALA 11 HB3 ALA 11 55.839 46.927 47.874 90 H LEU 12 H LEU 12 55.131 43.610 46.946 91 HA LEU 12 HA LEU 12 54.692 42.058 44.610 92 HB2 LEU 12 HB2 LEU 12 52.846 42.517 46.978 93 HB3 LEU 12 HB3 LEU 12 52.669 41.245 45.799 94 HG LEU 12 HG LEU 12 54.784 41.606 47.919 95 HD11 LEU 12 HD11 LEU 12 53.067 39.167 47.374 96 HD12 LEU 12 HD12 LEU 12 54.061 39.555 48.802 97 HD13 LEU 12 HD13 LEU 12 52.624 40.514 48.445 98 HD21 LEU 12 HD21 LEU 12 55.907 39.465 47.066 99 HD22 LEU 12 HD22 LEU 12 55.034 39.685 45.545 100 HD23 LEU 12 HD23 LEU 12 56.196 40.894 46.084 101 H ALA 13 H ALA 13 53.028 42.005 43.099 102 HA ALA 13 HA ALA 13 51.660 44.578 42.548 103 HB1 ALA 13 HB1 ALA 13 51.465 43.859 40.324 104 HB2 ALA 13 HB2 ALA 13 53.116 43.450 40.832 105 HB3 ALA 13 HB3 ALA 13 51.887 42.175 40.719 106 H GLU 14 H GLU 14 49.613 44.707 43.407 107 HA GLU 14 HA GLU 14 47.866 42.335 43.644 108 HB2 GLU 14 HB2 GLU 14 48.576 44.242 45.934 109 HB3 GLU 14 HB3 GLU 14 47.364 42.973 45.986 110 HG2 GLU 14 HG2 GLU 14 49.245 41.304 45.560 111 HG3 GLU 14 HG3 GLU 14 50.384 42.620 45.731 112 H ALA 15 H ALA 15 45.542 43.050 43.831 113 HA ALA 15 HA ALA 15 45.154 45.955 43.302 114 HB1 ALA 15 HB1 ALA 15 43.387 43.670 42.374 115 HB2 ALA 15 HB2 ALA 15 43.027 45.393 42.207 116 HB3 ALA 15 HB3 ALA 15 44.405 44.719 41.329 117 H ASP 16 H ASP 16 43.315 46.949 43.968 118 HA ASP 16 HA ASP 16 41.548 46.076 46.076 119 HB2 ASP 16 HB2 ASP 16 42.472 47.369 47.847 120 HB3 ASP 16 HB3 ASP 16 43.787 46.438 47.220 121 H ARG 17 H ARG 17 40.678 48.497 46.863 122 HA ARG 17 HA ARG 17 39.151 49.669 44.800 123 HB2 ARG 17 HB2 ARG 17 38.857 51.517 46.549 124 HB3 ARG 17 HB3 ARG 17 38.479 49.844 46.988 125 HG2 ARG 17 HG2 ARG 17 40.930 49.865 48.057 126 HG3 ARG 17 HG3 ARG 17 40.816 51.615 47.856 127 HD2 ARG 17 HD2 ARG 17 38.598 51.540 49.059 128 HD3 ARG 17 HD3 ARG 17 38.728 49.789 49.142 129 HE ARG 17 HE ARG 17 40.371 51.721 50.671 130 HH11 ARG 17 HH11 ARG 17 39.972 48.295 49.653 131 HH12 ARG 17 HH12 ARG 17 40.754 47.753 51.101 132 HH21 ARG 17 HH21 ARG 17 41.035 50.873 52.486 133 HH22 ARG 17 HH22 ARG 17 41.088 49.130 52.757 134 H THR 18 H THR 18 42.445 50.287 45.447 135 HA THR 18 HA THR 18 42.477 52.899 44.056 136 HB THR 18 HB THR 18 44.587 51.205 45.399 137 HG1 THR 18 HG1 THR 18 43.741 52.138 47.007 138 HG21 THR 18 HG21 THR 18 45.593 52.805 43.628 139 HG22 THR 18 HG22 THR 18 45.084 54.127 44.708 140 HG23 THR 18 HG23 THR 18 46.204 52.901 45.288 141 H LEU 19 H LEU 19 43.839 53.150 42.230 142 HA LEU 19 HA LEU 19 43.903 50.810 40.388 143 HB2 LEU 19 HB2 LEU 19 43.116 53.716 40.051 144 HB3 LEU 19 HB3 LEU 19 43.820 52.829 38.718 145 HG LEU 19 HG LEU 19 42.063 51.061 38.995 146 HD11 LEU 19 HD11 LEU 19 40.740 53.058 40.894 147 HD12 LEU 19 HD12 LEU 19 39.947 51.643 40.153 148 HD13 LEU 19 HD13 LEU 19 41.257 51.411 41.289 149 HD21 LEU 19 HD21 LEU 19 42.000 52.910 37.331 150 HD22 LEU 19 HD22 LEU 19 40.375 52.382 37.805 151 HD23 LEU 19 HD23 LEU 19 41.055 53.888 38.467 152 H PHE 20 H PHE 20 45.874 50.236 39.666 153 HA PHE 20 HA PHE 20 48.279 51.835 40.180 154 HB2 PHE 20 HB2 PHE 20 48.222 49.344 40.261 155 HB3 PHE 20 HB3 PHE 20 47.948 49.305 38.523 156 HD1 PHE 20 HD1 PHE 20 49.860 50.660 37.049 157 HD2 PHE 20 HD2 PHE 20 50.291 49.348 41.140 158 HE1 PHE 20 HE1 PHE 20 52.305 50.770 36.827 159 HE2 PHE 20 HE2 PHE 20 52.725 49.556 40.951 160 HZ PHE 20 HZ PHE 20 53.757 50.306 38.783 161 H VAL 21 H VAL 21 49.302 53.131 38.657 162 HA VAL 21 HA VAL 21 48.472 52.958 35.812 163 HB VAL 21 HB VAL 21 49.118 55.528 37.325 164 HG11 VAL 21 HG11 VAL 21 48.093 56.673 35.473 165 HG12 VAL 21 HG12 VAL 21 49.339 55.581 34.826 166 HG13 VAL 21 HG13 VAL 21 47.591 55.155 34.736 167 HG21 VAL 21 HG21 VAL 21 47.055 54.877 38.337 168 HG22 VAL 21 HG22 VAL 21 46.582 56.006 37.074 169 HG23 VAL 21 HG23 VAL 21 46.393 54.262 36.810 170 H GLY 22 H GLY 22 50.206 52.760 34.468 171 HA2 GLY 22 HA2 GLY 22 52.924 53.496 35.446 172 HA3 GLY 22 HA3 GLY 22 52.708 51.984 34.635 173 H ASN 23 H ASN 23 54.401 53.394 33.380 174 HA ASN 23 HA ASN 23 55.019 54.165 31.319 175 HB2 ASN 23 HB2 ASN 23 52.665 53.087 30.559 176 HB3 ASN 23 HB3 ASN 23 52.216 54.756 30.430 177 HD21 ASN 23 HD21 ASN 23 52.031 54.574 28.168 178 HD22 ASN 23 HD22 ASN 23 53.483 54.461 27.146 179 H LEU 24 H LEU 24 54.445 55.724 33.747 180 HA LEU 24 HA LEU 24 53.177 58.203 33.114 181 HB2 LEU 24 HB2 LEU 24 55.142 57.398 35.282 182 HB3 LEU 24 HB3 LEU 24 54.459 59.004 35.090 183 HG LEU 24 HG LEU 24 53.528 57.268 36.849 184 HD11 LEU 24 HD11 LEU 24 51.987 59.118 35.069 185 HD12 LEU 24 HD12 LEU 24 51.111 58.310 36.377 186 HD13 LEU 24 HD13 LEU 24 52.444 59.373 36.797 187 HD21 LEU 24 HD21 LEU 24 52.971 55.537 35.135 188 HD22 LEU 24 HD22 LEU 24 51.599 56.016 36.179 189 HD23 LEU 24 HD23 LEU 24 51.693 56.623 34.519 190 H GLU 25 H GLU 25 53.948 60.164 32.611 191 HA GLU 25 HA GLU 25 56.400 60.382 31.247 192 HB2 GLU 25 HB2 GLU 25 54.079 62.058 31.796 193 HB3 GLU 25 HB3 GLU 25 55.544 63.025 31.967 194 HG2 GLU 25 HG2 GLU 25 55.033 61.248 29.573 195 HG3 GLU 25 HG3 GLU 25 54.303 62.828 29.682 196 H THR 26 H THR 26 57.910 61.849 31.513 197 HA THR 26 HA THR 26 59.653 61.252 33.654 198 HB THR 26 HB THR 26 61.232 62.476 32.307 199 HG1 THR 26 HG1 THR 26 59.078 63.459 30.827 200 HG21 THR 26 HG21 THR 26 59.212 60.944 30.528 201 HG22 THR 26 HG22 THR 26 60.816 61.472 30.027 202 HG23 THR 26 HG23 THR 26 60.594 60.303 31.357 203 H LYS 27 H LYS 27 57.428 63.786 33.195 204 HA LYS 27 HA LYS 27 58.196 65.453 35.585 205 HB2 LYS 27 HB2 LYS 27 57.505 66.270 32.775 206 HB3 LYS 27 HB3 LYS 27 57.006 67.283 34.098 207 HG2 LYS 27 HG2 LYS 27 59.898 66.329 33.903 208 HG3 LYS 27 HG3 LYS 27 59.333 67.708 32.973 209 HD2 LYS 27 HD2 LYS 27 59.253 67.502 36.027 210 HD3 LYS 27 HD3 LYS 27 60.444 68.381 35.077 211 HE2 LYS 27 HE2 LYS 27 58.736 69.848 34.136 212 HE3 LYS 27 HE3 LYS 27 57.447 68.931 34.901 213 HZ1 LYS 27 HZ1 LYS 27 57.883 70.883 36.098 214 HZ2 LYS 27 HZ2 LYS 27 58.330 69.659 37.050 215 HZ3 LYS 27 HZ3 LYS 27 59.479 70.558 36.302 216 H VAL 28 H VAL 28 56.208 63.109 35.016 217 HA VAL 28 HA VAL 28 53.613 64.188 35.229 218 HB VAL 28 HB VAL 28 54.250 61.824 34.685 219 HG11 VAL 28 HG11 VAL 28 55.794 61.295 36.495 220 HG12 VAL 28 HG12 VAL 28 54.569 61.638 37.728 221 HG13 VAL 28 HG13 VAL 28 54.400 60.218 36.704 222 HG21 VAL 28 HG21 VAL 28 52.134 61.995 36.830 223 HG22 VAL 28 HG22 VAL 28 51.975 62.800 35.260 224 HG23 VAL 28 HG23 VAL 28 52.180 61.063 35.286 225 H THR 29 H THR 29 52.189 64.284 37.062 226 HA THR 29 HA THR 29 53.232 64.407 39.782 227 HB THR 29 HB THR 29 52.407 66.856 40.083 228 HG1 THR 29 HG1 THR 29 52.562 68.025 38.197 229 HG21 THR 29 HG21 THR 29 54.527 67.815 39.444 230 HG22 THR 29 HG22 THR 29 54.820 66.158 39.980 231 HG23 THR 29 HG23 THR 29 54.786 66.543 38.240 232 H GLU 30 H GLU 30 51.448 65.128 41.324 233 HA GLU 30 HA GLU 30 49.131 63.497 40.847 234 HB2 GLU 30 HB2 GLU 30 49.527 65.647 42.972 235 HB3 GLU 30 HB3 GLU 30 48.401 64.279 43.043 236 HG2 GLU 30 HG2 GLU 30 50.422 62.740 42.884 237 HG3 GLU 30 HG3 GLU 30 51.444 64.151 43.065 238 H GLU 31 H GLU 31 49.892 66.898 40.377 239 HA GLU 31 HA GLU 31 47.242 67.897 40.050 240 HB2 GLU 31 HB2 GLU 31 49.835 68.642 38.592 241 HB3 GLU 31 HB3 GLU 31 48.369 69.608 38.568 242 HG2 GLU 31 HG2 GLU 31 48.522 70.065 40.952 243 HG3 GLU 31 HG3 GLU 31 49.832 68.936 41.174 244 H LEU 32 H LEU 32 49.482 66.373 37.763 245 HA LEU 32 HA LEU 32 47.713 66.530 35.509 246 HB2 LEU 32 HB2 LEU 32 50.125 66.505 35.279 247 HB3 LEU 32 HB3 LEU 32 50.239 64.886 35.964 248 HG LEU 32 HG LEU 32 49.057 63.941 33.986 249 HD11 LEU 32 HD11 LEU 32 48.902 65.456 31.926 250 HD12 LEU 32 HD12 LEU 32 47.654 65.779 33.136 251 HD13 LEU 32 HD13 LEU 32 49.088 66.832 32.999 252 HD21 LEU 32 HD21 LEU 32 50.813 64.235 32.379 253 HD22 LEU 32 HD22 LEU 32 51.166 65.863 32.980 254 HD23 LEU 32 HD23 LEU 32 51.650 64.469 33.944 255 H LEU 33 H LEU 33 48.472 63.757 37.681 256 HA LEU 33 HA LEU 33 46.682 61.948 36.357 257 HB2 LEU 33 HB2 LEU 33 47.609 62.130 39.234 258 HB3 LEU 33 HB3 LEU 33 46.850 60.689 38.534 259 HG LEU 33 HG LEU 33 49.468 62.010 37.663 260 HD11 LEU 33 HD11 LEU 33 49.163 59.363 39.074 261 HD12 LEU 33 HD12 LEU 33 50.647 60.128 38.456 262 HD13 LEU 33 HD13 LEU 33 49.732 60.921 39.767 263 HD21 LEU 33 HD21 LEU 33 48.382 60.895 35.732 264 HD22 LEU 33 HD22 LEU 33 49.953 60.282 36.186 265 HD23 LEU 33 HD23 LEU 33 48.503 59.343 36.626 266 H PHE 34 H PHE 34 46.061 64.258 39.040 267 HA PHE 34 HA PHE 34 43.402 63.396 39.528 268 HB2 PHE 34 HB2 PHE 34 44.924 64.861 40.953 269 HB3 PHE 34 HB3 PHE 34 44.447 66.210 39.927 270 HD1 PHE 34 HD1 PHE 34 41.863 66.663 39.749 271 HD2 PHE 34 HD2 PHE 34 43.694 64.256 42.832 272 HE1 PHE 34 HE1 PHE 34 39.804 66.798 41.076 273 HE2 PHE 34 HE2 PHE 34 41.659 64.490 44.213 274 HZ PHE 34 HZ PHE 34 39.658 65.635 43.299 275 H GLU 35 H GLU 35 44.581 66.012 37.277 276 HA GLU 35 HA GLU 35 41.935 66.631 36.314 277 HB2 GLU 35 HB2 GLU 35 42.851 67.967 34.702 278 HB3 GLU 35 HB3 GLU 35 43.854 68.142 36.133 279 HG2 GLU 35 HG2 GLU 35 45.608 66.787 35.100 280 HG3 GLU 35 HG3 GLU 35 44.574 66.435 33.715 281 H LEU 36 H LEU 36 44.319 64.215 35.285 282 HA LEU 36 HA LEU 36 42.905 63.369 32.935 283 HB2 LEU 36 HB2 LEU 36 45.251 63.228 33.131 284 HB3 LEU 36 HB3 LEU 36 45.198 62.216 34.557 285 HG LEU 36 HG LEU 36 43.998 61.273 31.928 286 HD11 LEU 36 HD11 LEU 36 46.902 61.244 32.778 287 HD12 LEU 36 HD12 LEU 36 46.217 60.036 31.637 288 HD13 LEU 36 HD13 LEU 36 46.206 61.734 31.217 289 HD21 LEU 36 HD21 LEU 36 43.531 59.834 33.925 290 HD22 LEU 36 HD22 LEU 36 44.726 59.014 32.938 291 HD23 LEU 36 HD23 LEU 36 45.248 59.918 34.374 292 H PHE 37 H PHE 37 42.884 62.110 36.294 293 HA PHE 37 HA PHE 37 41.054 59.991 35.459 294 HB2 PHE 37 HB2 PHE 37 42.545 60.523 38.041 295 HB3 PHE 37 HB3 PHE 37 41.425 59.174 37.834 296 HD1 PHE 37 HD2 PHE 37 41.724 57.879 35.489 297 HD2 PHE 37 HD1 PHE 37 44.810 59.894 37.714 298 HE1 PHE 37 HE2 PHE 37 43.449 56.336 34.517 299 HE2 PHE 37 HE1 PHE 37 46.525 58.485 36.611 300 HZ PHE 37 HZ PHE 37 45.817 56.675 35.031 301 H HIS 38 H HIS 38 40.615 63.017 37.112 302 HA HIS 38 HA HIS 38 38.120 62.789 38.362 303 HB2 HIS 38 HB2 HIS 38 39.426 64.759 38.381 304 HB3 HIS 38 HB3 HIS 38 39.483 64.866 36.619 305 HD2 HIS 38 HD2 HIS 38 37.038 65.373 39.572 306 HE1 HIS 38 HE1 HIS 38 35.613 67.743 36.352 307 HE2 HIS 38 HE2 HIS 38 35.202 67.021 38.736 308 H GLN 39 H GLN 39 38.791 62.890 34.878 309 HA GLN 39 HA GLN 39 36.012 62.862 34.036 310 HB2 GLN 39 HB2 GLN 39 38.391 61.766 32.483 311 HB3 GLN 39 HB3 GLN 39 36.839 62.297 31.853 312 HG2 GLN 39 HG2 GLN 39 37.363 64.463 31.842 313 HG3 GLN 39 HG3 GLN 39 38.504 64.388 33.205 314 HE21 GLN 39 HE22 GLN 39 40.782 64.335 32.643 315 HE22 GLN 39 HE21 GLN 39 41.274 64.182 30.968 316 H ALA 40 H ALA 40 38.028 60.351 35.256 317 HA ALA 40 HA ALA 40 36.458 58.217 33.922 318 HB1 ALA 40 HB1 ALA 40 39.029 58.170 34.041 319 HB2 ALA 40 HB2 ALA 40 38.826 57.888 35.786 320 HB3 ALA 40 HB3 ALA 40 38.159 56.726 34.618 321 H GLY 41 H GLY 41 36.294 60.056 36.650 322 HA2 GLY 41 HA2 GLY 41 33.974 59.657 37.526 323 HA3 GLY 41 HA3 GLY 41 34.547 58.097 38.085 324 HA PRO 42 HA PRO 42 35.122 61.163 41.504 325 HB2 PRO 42 HB2 PRO 42 34.049 59.737 43.608 326 HB3 PRO 42 HB3 PRO 42 33.095 60.636 42.391 327 HG2 PRO 42 HG2 PRO 42 33.875 57.733 42.344 328 HG3 PRO 42 HG3 PRO 42 32.205 58.417 42.228 329 HD2 PRO 42 HD2 PRO 42 33.456 57.790 39.949 330 HD3 PRO 42 HD3 PRO 42 32.708 59.405 40.065 331 H VAL 43 H VAL 43 37.397 61.120 41.304 332 HA VAL 43 HA VAL 43 38.908 59.058 42.734 333 HB VAL 43 HB VAL 43 40.965 60.214 42.179 334 HG11 VAL 43 HG11 VAL 43 40.918 59.690 39.833 335 HG12 VAL 43 HG12 VAL 43 39.893 58.545 40.733 336 HG13 VAL 43 HG13 VAL 43 39.148 59.880 39.790 337 HG21 VAL 43 HG21 VAL 43 40.287 62.567 42.040 338 HG22 VAL 43 HG22 VAL 43 41.060 61.991 40.562 339 HG23 VAL 43 HG23 VAL 43 39.283 62.171 40.607 340 H ILE 44 H ILE 44 39.878 59.170 44.611 341 HA ILE 44 HA ILE 44 38.764 61.106 46.544 342 HB ILE 44 HB ILE 44 40.113 58.392 46.852 343 HG12 ILE 44 HG12 ILE 44 38.005 57.938 45.848 344 HG13 ILE 44 HG13 ILE 44 37.863 57.609 47.564 345 HG21 ILE 44 HG21 ILE 44 38.849 60.368 48.766 346 HG22 ILE 44 HG22 ILE 44 39.085 58.655 49.196 347 HG23 ILE 44 HG23 ILE 44 40.484 59.689 48.828 348 HD11 ILE 44 HD11 ILE 44 35.881 58.727 46.630 349 HD12 ILE 44 HD12 ILE 44 36.633 59.661 47.948 350 HD13 ILE 44 HD13 ILE 44 36.838 60.174 46.263 351 H LYS 45 H LYS 45 41.857 59.575 45.723 352 HA LYS 45 HA LYS 45 43.295 61.965 46.306 353 HB2 LYS 45 HB2 LYS 45 44.696 61.292 48.072 354 HB3 LYS 45 HB3 LYS 45 43.054 61.067 48.613 355 HG2 LYS 45 HG2 LYS 45 44.256 58.630 47.426 356 HG3 LYS 45 HG3 LYS 45 45.125 59.197 48.839 357 HD2 LYS 45 HD2 LYS 45 42.183 58.485 48.657 358 HD3 LYS 45 HD3 LYS 45 43.434 57.491 49.396 359 HE2 LYS 45 HE2 LYS 45 42.748 60.253 50.469 360 HE3 LYS 45 HE3 LYS 45 41.781 58.852 50.886 361 HZ1 LYS 45 HZ1 LYS 45 43.458 57.918 52.107 362 HZ2 LYS 45 HZ2 LYS 45 44.664 58.770 51.389 363 HZ3 LYS 45 HZ3 LYS 45 43.651 59.493 52.393 364 H VAL 46 H VAL 46 45.472 61.804 45.662 365 HA VAL 46 HA VAL 46 46.060 59.626 43.673 366 HB VAL 46 HB VAL 46 46.556 62.625 43.496 367 HG11 VAL 46 HG11 VAL 46 47.119 60.497 41.397 368 HG12 VAL 46 HG12 VAL 46 47.250 62.278 41.240 369 HG13 VAL 46 HG13 VAL 46 48.361 61.399 42.301 370 HG21 VAL 46 HG21 VAL 46 44.181 62.053 43.033 371 HG22 VAL 46 HG22 VAL 46 45.005 62.468 41.524 372 HG23 VAL 46 HG23 VAL 46 44.690 60.765 41.933 373 H LYS 47 H LYS 47 48.144 58.979 43.441 374 HA LYS 47 HA LYS 47 50.176 60.044 45.307 375 HB2 LYS 47 HB2 LYS 47 49.394 58.083 46.448 376 HB3 LYS 47 HB3 LYS 47 49.159 57.203 44.962 377 HG2 LYS 47 HG2 LYS 47 51.096 56.222 46.127 378 HG3 LYS 47 HG3 LYS 47 51.682 57.019 44.681 379 HD2 LYS 47 HD2 LYS 47 52.215 59.042 46.095 380 HD3 LYS 47 HD3 LYS 47 51.706 58.128 47.511 381 HE2 LYS 47 HE2 LYS 47 53.915 57.109 45.654 382 HE3 LYS 47 HE3 LYS 47 54.224 58.356 46.872 383 HZ1 LYS 47 HZ1 LYS 47 54.760 56.250 47.760 384 HZ2 LYS 47 HZ2 LYS 47 53.465 56.755 48.537 385 HZ3 LYS 47 HZ3 LYS 47 53.344 55.581 47.389 386 H ILE 48 H ILE 48 51.754 60.751 44.387 387 HA ILE 48 HA ILE 48 53.016 59.371 42.072 388 HB ILE 48 HB ILE 48 52.967 62.203 43.120 389 HG12 ILE 48 HG12 ILE 48 51.422 61.196 41.353 390 HG13 ILE 48 HG13 ILE 48 52.253 62.696 40.927 391 HG21 ILE 48 HG21 ILE 48 55.266 60.949 41.752 392 HG22 ILE 48 HG22 ILE 48 54.803 62.609 41.283 393 HG23 ILE 48 HG23 ILE 48 55.204 62.274 42.963 394 HD11 ILE 48 HD11 ILE 48 52.841 59.887 39.915 395 HD12 ILE 48 HD12 ILE 48 52.363 61.343 39.004 396 HD13 ILE 48 HD13 ILE 48 53.981 61.232 39.704 397 HA PRO 49 HA PRO 49 56.129 58.147 45.179 398 HB2 PRO 49 HB2 PRO 49 57.607 56.623 43.420 399 HB3 PRO 49 HB3 PRO 49 56.192 55.996 44.318 400 HG2 PRO 49 HG2 PRO 49 56.388 56.971 41.467 401 HG3 PRO 49 HG3 PRO 49 55.450 55.573 42.085 402 HD2 PRO 49 HD2 PRO 49 54.422 58.024 41.455 403 HD3 PRO 49 HD3 PRO 49 53.670 57.002 42.693 404 H LYS 50 H LYS 50 58.579 58.366 45.057 405 HA LYS 50 HA LYS 50 59.822 59.830 42.929 406 HB2 LYS 50 HB2 LYS 50 59.132 61.252 45.500 407 HB3 LYS 50 HB3 LYS 50 60.666 61.573 44.696 408 HG2 LYS 50 HG2 LYS 50 59.002 61.684 42.516 409 HG3 LYS 50 HG3 LYS 50 57.872 62.191 43.763 410 HD2 LYS 50 HD2 LYS 50 59.438 64.060 44.351 411 HD3 LYS 50 HD3 LYS 50 60.640 63.363 43.265 412 HE2 LYS 50 HE2 LYS 50 59.218 63.724 41.319 413 HE3 LYS 50 HE3 LYS 50 57.879 64.258 42.300 414 HZ1 LYS 50 HZ1 LYS 50 60.468 65.714 42.187 415 HZ2 LYS 50 HZ2 LYS 50 59.181 66.140 41.350 416 HZ3 LYS 50 HZ3 LYS 50 59.157 66.214 42.970 417 H ASP 51 H ASP 51 61.410 58.748 42.699 418 HA ASP 51 HA ASP 51 63.037 57.244 44.514 419 HB2 ASP 51 HB2 ASP 51 62.877 57.448 41.785 420 HB3 ASP 51 HB3 ASP 51 64.319 58.408 42.075 421 H LYS 52 H LYS 52 65.443 57.843 44.833 422 HA LYS 52 HA LYS 52 65.600 60.134 46.547 423 HB2 LYS 52 HB2 LYS 52 68.029 59.629 46.625 424 HB3 LYS 52 HB3 LYS 52 67.000 58.217 46.891 425 HG2 LYS 52 HG2 LYS 52 68.395 57.194 45.508 426 HG3 LYS 52 HG3 LYS 52 67.432 57.911 44.218 427 HD2 LYS 52 HD2 LYS 52 69.095 59.650 43.858 428 HD3 LYS 52 HD3 LYS 52 69.969 59.177 45.345 429 HE2 LYS 52 HE2 LYS 52 70.010 56.807 44.260 430 HE3 LYS 52 HE3 LYS 52 69.697 57.665 42.755 431 HZ1 LYS 52 HZ1 LYS 52 72.063 57.288 43.369 432 HZ2 LYS 52 HZ2 LYS 52 71.674 58.807 42.978 433 HZ3 LYS 52 HZ3 LYS 52 71.915 58.446 44.558 434 H ASP 53 H ASP 53 66.481 59.686 43.267 435 HA ASP 53 HA ASP 53 67.689 62.165 42.632 436 HB2 ASP 53 HB2 ASP 53 67.662 59.980 41.373 437 HB3 ASP 53 HB3 ASP 53 65.969 60.234 40.996 438 H GLY 54 H GLY 54 64.322 61.330 43.181 439 HA2 GLY 54 HA2 GLY 54 62.653 62.951 43.596 440 HA3 GLY 54 HA3 GLY 54 63.443 64.074 42.487 441 H LYS 55 H LYS 55 62.566 60.562 41.933 442 HA LYS 55 HA LYS 55 60.825 61.542 39.740 443 HB2 LYS 55 HB2 LYS 55 63.143 61.018 39.038 444 HB3 LYS 55 HB3 LYS 55 62.886 59.326 39.523 445 HG2 LYS 55 HG2 LYS 55 62.473 59.321 37.181 446 HG3 LYS 55 HG3 LYS 55 60.877 59.358 37.900 447 HD2 LYS 55 HD2 LYS 55 60.693 61.000 36.257 448 HD3 LYS 55 HD3 LYS 55 61.056 61.974 37.677 449 HE2 LYS 55 HE2 LYS 55 63.588 61.584 36.777 450 HE3 LYS 55 HE3 LYS 55 62.710 61.390 35.259 451 HZ1 LYS 55 HZ1 LYS 55 63.308 63.709 35.656 452 HZ2 LYS 55 HZ2 LYS 55 61.678 63.564 35.655 453 HZ3 LYS 55 HZ3 LYS 55 62.523 63.738 37.039 454 HA PRO 56 HA PRO 56 57.952 58.521 41.180 455 HB2 PRO 56 HB2 PRO 56 56.157 58.610 39.032 456 HB3 PRO 56 HB3 PRO 56 56.181 59.776 40.398 457 HG2 PRO 56 HG2 PRO 56 57.305 59.913 37.657 458 HG3 PRO 56 HG3 PRO 56 56.602 61.271 38.644 459 HD2 PRO 56 HD2 PRO 56 59.328 60.907 38.305 460 HD3 PRO 56 HD3 PRO 56 58.562 61.690 39.726 461 H LYS 57 H LYS 57 60.245 57.706 39.039 462 HA LYS 57 HA LYS 57 60.883 55.681 38.054 463 HB2 LYS 57 HB2 LYS 57 58.907 54.426 39.949 464 HB3 LYS 57 HB3 LYS 57 60.381 53.730 39.288 465 HG2 LYS 57 HG2 LYS 57 61.287 54.234 41.269 466 HG3 LYS 57 HG3 LYS 57 61.424 55.876 40.698 467 HD2 LYS 57 HD2 LYS 57 59.325 56.532 41.777 468 HD3 LYS 57 HD3 LYS 57 58.939 54.846 42.185 469 HE2 LYS 57 HE2 LYS 57 61.556 55.998 43.000 470 HE3 LYS 57 HE3 LYS 57 60.104 56.530 43.903 471 HZ1 LYS 57 HZ1 LYS 57 61.326 54.524 44.749 472 HZ2 LYS 57 HZ2 LYS 57 59.736 54.396 44.676 473 HZ3 LYS 57 HZ3 LYS 57 60.678 53.671 43.546 474 H GLN 58 H GLN 58 58.646 57.031 36.708 475 HA GLN 58 HA GLN 58 57.100 56.798 35.169 476 HB2 GLN 58 HB2 GLN 58 58.691 54.324 34.514 477 HB3 GLN 58 HB3 GLN 58 57.312 54.942 33.587 478 HG2 GLN 58 HG2 GLN 58 58.546 57.227 33.593 479 HG3 GLN 58 HG3 GLN 58 59.993 56.393 34.045 480 HE21 GLN 58 HE21 GLN 58 57.647 56.981 31.604 481 HE22 GLN 58 HE22 GLN 58 58.285 55.946 30.322 482 H PHE 59 H PHE 59 56.160 56.045 37.736 483 HA PHE 59 HA PHE 59 53.756 54.635 36.916 484 HB2 PHE 59 HB2 PHE 59 53.716 52.809 38.094 485 HB3 PHE 59 HB3 PHE 59 55.346 52.814 37.465 486 HD1 PHE 59 HD2 PHE 59 57.275 53.122 39.132 487 HD2 PHE 59 HD1 PHE 59 53.163 52.890 40.372 488 HE1 PHE 59 HE2 PHE 59 57.997 52.782 41.487 489 HE2 PHE 59 HE1 PHE 59 53.877 52.661 42.733 490 HZ PHE 59 HZ PHE 59 56.283 52.650 43.308 491 H ALA 60 H ALA 60 52.034 54.711 38.609 492 HA ALA 60 HA ALA 60 52.346 56.352 41.038 493 HB1 ALA 60 HB1 ALA 60 50.437 57.240 38.882 494 HB2 ALA 60 HB2 ALA 60 50.976 58.135 40.327 495 HB3 ALA 60 HB3 ALA 60 52.107 57.879 38.997 496 H PHE 61 H PHE 61 50.081 56.682 42.073 497 HA PHE 61 HA PHE 61 48.157 54.469 41.597 498 HB2 PHE 61 HB2 PHE 61 49.475 55.285 44.203 499 HB3 PHE 61 HB3 PHE 61 47.868 54.596 44.179 500 HD1 PHE 61 HD1 PHE 61 47.524 52.307 43.065 501 HD2 PHE 61 HD2 PHE 61 51.412 53.940 43.941 502 HE1 PHE 61 HE1 PHE 61 48.429 50.011 43.327 503 HE2 PHE 61 HE2 PHE 61 52.358 51.630 43.984 504 HZ PHE 61 HZ PHE 61 50.864 49.681 43.740 505 H VAL 62 H VAL 62 45.987 54.905 42.265 506 HA VAL 62 HA VAL 62 45.178 57.691 42.860 507 HB VAL 62 HB VAL 62 44.205 56.144 40.403 508 HG11 VAL 62 HG11 VAL 62 43.544 58.927 41.461 509 HG12 VAL 62 HG12 VAL 62 43.145 58.346 39.832 510 HG13 VAL 62 HG13 VAL 62 42.422 57.562 41.255 511 HG21 VAL 62 HG21 VAL 62 46.488 57.152 40.025 512 HG22 VAL 62 HG22 VAL 62 45.191 57.735 38.986 513 HG23 VAL 62 HG23 VAL 62 45.721 58.748 40.356 514 H ASN 63 H ASN 63 43.695 57.565 44.372 515 HA ASN 63 HA ASN 63 42.360 55.019 44.967 516 HB2 ASN 63 HB2 ASN 63 43.524 56.540 46.750 517 HB3 ASN 63 HB3 ASN 63 42.196 57.629 46.553 518 HD21 ASN 63 HD22 ASN 63 42.303 53.979 46.803 519 HD22 ASN 63 HD21 ASN 63 40.940 53.991 47.934 520 H PHE 64 H PHE 64 40.354 54.496 44.149 521 HA PHE 64 HA PHE 64 38.420 56.663 43.433 522 HB2 PHE 64 HB2 PHE 64 39.455 54.926 41.801 523 HB3 PHE 64 HB3 PHE 64 38.355 53.791 42.517 524 HD1 PHE 64 HD2 PHE 64 35.695 54.597 42.366 525 HD2 PHE 64 HD1 PHE 64 38.881 56.219 39.955 526 HE1 PHE 64 HE2 PHE 64 34.103 55.030 40.529 527 HE2 PHE 64 HE1 PHE 64 37.288 56.494 38.062 528 HZ PHE 64 HZ PHE 64 34.929 55.770 38.309 529 H LYS 65 H LYS 65 36.234 56.375 43.909 530 HA LYS 65 HA LYS 65 35.571 55.728 46.545 531 HB2 LYS 65 HB2 LYS 65 34.468 57.274 44.934 532 HB3 LYS 65 HB3 LYS 65 33.641 55.903 44.192 533 HG2 LYS 65 HG2 LYS 65 32.235 55.585 46.063 534 HG3 LYS 65 HG3 LYS 65 33.308 56.484 47.144 535 HD2 LYS 65 HD2 LYS 65 31.816 57.762 44.790 536 HD3 LYS 65 HD3 LYS 65 31.123 57.649 46.395 537 HE2 LYS 65 HE2 LYS 65 33.806 58.992 45.910 538 HE3 LYS 65 HE3 LYS 65 32.290 59.865 45.838 539 HZ1 LYS 65 HZ1 LYS 65 33.114 60.026 48.026 540 HZ2 LYS 65 HZ2 LYS 65 31.786 59.089 48.094 541 HZ3 LYS 65 HZ3 LYS 65 33.287 58.452 48.229 542 H HIS 66 H HIS 66 34.618 54.066 47.659 543 HA HIS 66 HA HIS 66 35.794 51.680 47.027 544 HB2 HIS 66 HB2 HIS 66 33.510 52.151 48.980 545 HB3 HIS 66 HB3 HIS 66 34.637 50.794 49.028 546 HD2 HIS 66 HD2 HIS 66 35.804 51.175 51.228 547 HE1 HIS 66 HE1 HIS 66 37.070 55.205 50.714 548 HE2 HIS 66 HE2 HIS 66 37.107 53.203 52.282 549 H GLU 67 H GLU 67 35.012 49.558 47.052 550 HA GLU 67 HA GLU 67 34.243 47.842 45.805 551 HB2 GLU 67 HB2 GLU 67 31.672 49.239 46.563 552 HB3 GLU 67 HB3 GLU 67 31.680 47.650 45.772 553 HG2 GLU 67 HG2 GLU 67 32.727 48.396 48.513 554 HG3 GLU 67 HG3 GLU 67 31.340 47.396 48.155 555 H VAL 68 H VAL 68 35.254 49.814 44.214 556 HA VAL 68 HA VAL 68 33.968 50.120 41.705 557 HB VAL 68 HB VAL 68 36.389 49.760 40.830 558 HG11 VAL 68 HG11 VAL 68 35.841 51.901 42.899 559 HG12 VAL 68 HG12 VAL 68 37.129 51.919 41.663 560 HG13 VAL 68 HG13 VAL 68 35.422 51.949 41.169 561 HG21 VAL 68 HG21 VAL 68 37.354 48.424 42.630 562 HG22 VAL 68 HG22 VAL 68 38.171 49.986 42.581 563 HG23 VAL 68 HG23 VAL 68 36.969 49.662 43.839 564 H SER 69 H SER 69 33.260 48.655 40.241 565 HA SER 69 HA SER 69 33.888 45.825 40.537 566 HB2 SER 69 HB2 SER 69 32.229 47.155 38.352 567 HB3 SER 69 HB3 SER 69 32.151 45.495 38.976 568 HG SER 69 HG SER 69 30.730 46.388 40.121 569 H VAL 70 H VAL 70 34.594 48.396 38.257 570 HA VAL 70 HA VAL 70 36.799 46.829 37.077 571 HB VAL 70 HB VAL 70 36.256 47.364 34.841 572 HG11 VAL 70 HG11 VAL 70 33.699 46.381 36.124 573 HG12 VAL 70 HG12 VAL 70 34.209 46.135 34.452 574 HG13 VAL 70 HG13 VAL 70 35.148 45.392 35.766 575 HG21 VAL 70 HG21 VAL 70 33.646 48.739 35.729 576 HG22 VAL 70 HG22 VAL 70 35.025 49.619 35.032 577 HG23 VAL 70 HG23 VAL 70 34.160 48.423 34.077 578 HA PRO 71 HA PRO 71 38.717 50.920 37.359 579 HB2 PRO 71 HB2 PRO 71 41.048 50.629 36.013 580 HB3 PRO 71 HB3 PRO 71 40.726 49.792 37.554 581 HG2 PRO 71 HG2 PRO 71 40.362 48.646 34.779 582 HG3 PRO 71 HG3 PRO 71 41.303 47.971 36.149 583 HD2 PRO 71 HD2 PRO 71 38.702 47.171 35.739 584 HD3 PRO 71 HD3 PRO 71 39.352 47.453 37.379 585 H TYR 72 H TYR 72 37.180 52.098 36.322 586 HA TYR 72 HA TYR 72 36.227 52.229 33.722 587 HB2 TYR 72 HB2 TYR 72 35.518 53.318 35.933 588 HB3 TYR 72 HB3 TYR 72 36.617 54.634 35.524 589 HD1 TYR 72 HD1 TYR 72 36.285 55.715 33.143 590 HD2 TYR 72 HD2 TYR 72 33.259 53.522 35.304 591 HE1 TYR 72 HE1 TYR 72 34.549 56.673 31.678 592 HE2 TYR 72 HE2 TYR 72 31.498 54.561 33.864 593 HH TYR 72 HH TYR 72 32.368 56.607 31.146 594 H ALA 73 H ALA 73 38.953 54.265 34.952 595 HA ALA 73 HA ALA 73 39.458 55.625 32.569 596 HB1 ALA 73 HB1 ALA 73 41.442 54.693 34.694 597 HB2 ALA 73 HB2 ALA 73 41.679 56.000 33.548 598 HB3 ALA 73 HB3 ALA 73 40.402 56.136 34.808 599 H MET 74 H MET 74 40.217 52.237 33.145 600 HA MET 74 HA MET 74 42.401 52.038 31.247 601 HB2 MET 74 HB2 MET 74 41.828 50.464 33.182 602 HB3 MET 74 HB3 MET 74 40.535 49.838 32.147 603 HG2 MET 74 HG2 MET 74 42.237 49.320 30.397 604 HG3 MET 74 HG3 MET 74 43.489 50.067 31.387 605 HE1 MET 74 HE1 MET 74 44.928 47.973 30.763 606 HE2 MET 74 HE2 MET 74 44.647 46.361 31.443 607 HE3 MET 74 HE3 MET 74 43.652 46.933 30.090 608 H ASN 75 H ASN 75 38.858 52.058 30.957 609 HA ASN 75 HA ASN 75 39.031 51.453 28.063 610 HB2 ASN 75 HB2 ASN 75 37.075 50.732 29.335 611 HB3 ASN 75 HB3 ASN 75 36.746 52.394 29.841 612 HD21 ASN 75 HD22 ASN 75 35.574 53.744 28.378 613 HD22 ASN 75 HD21 ASN 75 35.132 53.209 26.779 614 H LEU 76 H LEU 76 38.980 54.258 30.196 615 HA LEU 76 HA LEU 76 37.963 55.974 28.119 616 HB2 LEU 76 HB2 LEU 76 37.362 56.177 30.512 617 HB3 LEU 76 HB3 LEU 76 39.038 56.554 30.909 618 HG LEU 76 HG LEU 76 38.881 58.646 29.520 619 HD11 LEU 76 HD11 LEU 76 36.628 59.515 29.023 620 HD12 LEU 76 HD12 LEU 76 36.945 58.053 28.088 621 HD13 LEU 76 HD13 LEU 76 35.906 57.962 29.535 622 HD21 LEU 76 HD21 LEU 76 37.089 58.244 31.922 623 HD22 LEU 76 HD22 LEU 76 38.687 59.058 31.821 624 HD23 LEU 76 HD23 LEU 76 37.269 59.826 31.126 625 H LEU 77 H LEU 77 41.034 55.890 29.876 626 HA LEU 77 HA LEU 77 42.219 57.870 28.038 627 HB2 LEU 77 HB2 LEU 77 43.213 56.898 30.736 628 HB3 LEU 77 HB3 LEU 77 43.960 58.151 29.786 629 HG LEU 77 HG LEU 77 42.968 59.413 31.377 630 HD11 LEU 77 HD11 LEU 77 40.802 60.403 30.728 631 HD12 LEU 77 HD12 LEU 77 42.065 60.523 29.524 632 HD13 LEU 77 HD13 LEU 77 40.787 59.313 29.299 633 HD21 LEU 77 HD21 LEU 77 40.832 58.969 32.492 634 HD22 LEU 77 HD22 LEU 77 40.711 57.439 31.577 635 HD23 LEU 77 HD23 LEU 77 42.099 57.777 32.675 636 H ASN 78 H ASN 78 43.899 55.200 29.734 637 HA ASN 78 HA ASN 78 45.779 53.985 28.886 638 HB2 ASN 78 HB2 ASN 78 43.672 52.782 29.473 639 HB3 ASN 78 HB3 ASN 78 43.387 52.626 27.714 640 HD21 ASN 78 HD22 ASN 78 45.651 51.738 26.635 641 HD22 ASN 78 HD21 ASN 78 46.236 50.324 27.455 642 H GLY 79 H GLY 79 46.614 55.706 27.477 643 HA2 GLY 79 HA2 GLY 79 47.919 55.169 25.300 644 HA3 GLY 79 HA3 GLY 79 46.323 55.092 24.562 645 H ILE 80 H ILE 80 46.850 57.518 27.073 646 HA ILE 80 HA ILE 80 46.795 59.665 25.000 647 HB ILE 80 HB ILE 80 45.055 60.907 26.113 648 HG12 ILE 80 HG12 ILE 80 43.864 59.167 27.932 649 HG13 ILE 80 HG13 ILE 80 45.598 59.176 28.352 650 HG21 ILE 80 HG21 ILE 80 44.297 58.026 25.624 651 HG22 ILE 80 HG22 ILE 80 43.140 59.356 25.760 652 HG23 ILE 80 HG23 ILE 80 44.342 59.383 24.445 653 HD11 ILE 80 HD11 ILE 80 43.746 61.592 28.107 654 HD12 ILE 80 HD12 ILE 80 44.478 60.957 29.592 655 HD13 ILE 80 HD13 ILE 80 45.496 61.714 28.347 656 H LYS 81 H LYS 81 47.427 61.735 25.673 657 HA LYS 81 HA LYS 81 48.608 62.371 28.176 658 HB2 LYS 81 HB2 LYS 81 51.070 62.486 27.187 659 HB3 LYS 81 HB3 LYS 81 50.385 61.080 27.926 660 HG2 LYS 81 HG2 LYS 81 51.588 60.449 25.929 661 HG3 LYS 81 HG3 LYS 81 49.875 60.173 25.623 662 HD2 LYS 81 HD2 LYS 81 49.858 62.430 24.388 663 HD3 LYS 81 HD3 LYS 81 51.598 62.516 24.741 664 HE2 LYS 81 HE2 LYS 81 51.715 60.122 23.723 665 HE3 LYS 81 HE3 LYS 81 50.066 60.417 23.139 666 HZ1 LYS 81 HZ1 LYS 81 52.339 62.192 22.532 667 HZ2 LYS 81 HZ2 LYS 81 51.755 61.018 21.535 668 HZ3 LYS 81 HZ3 LYS 81 50.823 62.273 21.944 669 H LEU 82 H LEU 82 49.921 64.464 27.889 670 HA LEU 82 HA LEU 82 49.410 65.965 25.364 671 HB2 LEU 82 HB2 LEU 82 47.934 66.784 27.169 672 HB3 LEU 82 HB3 LEU 82 49.294 66.997 28.234 673 HG LEU 82 HG LEU 82 48.266 69.056 27.214 674 HD11 LEU 82 HD11 LEU 82 51.215 68.754 26.539 675 HD12 LEU 82 HD12 LEU 82 50.350 70.231 27.019 676 HD13 LEU 82 HD13 LEU 82 50.581 68.937 28.190 677 HD21 LEU 82 HD21 LEU 82 48.614 69.680 24.961 678 HD22 LEU 82 HD22 LEU 82 49.711 68.315 24.653 679 HD23 LEU 82 HD23 LEU 82 47.976 68.041 24.924 680 H TYR 83 H TYR 83 51.638 65.579 28.185 681 HA TYR 83 HA TYR 83 53.800 67.009 27.119 682 HB2 TYR 83 HB2 TYR 83 53.433 64.697 29.049 683 HB3 TYR 83 HB3 TYR 83 55.068 65.144 28.574 684 HD1 TYR 83 HD1 TYR 83 55.437 67.866 28.810 685 HD2 TYR 83 HD2 TYR 83 53.007 65.259 31.227 686 HE1 TYR 83 HE1 TYR 83 55.816 69.336 30.795 687 HE2 TYR 83 HE2 TYR 83 53.279 66.756 33.153 688 HH TYR 83 HH TYR 83 55.351 69.544 33.170 689 H GLY 84 H GLY 84 53.107 63.487 26.865 690 HA2 GLY 84 HA2 GLY 84 54.458 62.896 24.450 691 HA3 GLY 84 HA3 GLY 84 55.700 62.847 25.705 692 H ARG 85 H ARG 85 54.816 61.377 27.740 693 HA ARG 85 HA ARG 85 54.479 58.770 26.394 694 HB2 ARG 85 HB2 ARG 85 55.124 59.296 29.334 695 HB3 ARG 85 HB3 ARG 85 54.938 57.749 28.594 696 HG2 ARG 85 HG2 ARG 85 57.211 58.004 28.734 697 HG3 ARG 85 HG3 ARG 85 56.902 58.384 27.027 698 HD2 ARG 85 HD2 ARG 85 56.944 60.810 27.600 699 HD3 ARG 85 HD3 ARG 85 57.280 60.366 29.305 700 HE ARG 85 HE ARG 85 59.346 59.185 28.039 701 HH11 ARG 85 HH11 ARG 85 58.190 62.582 27.748 702 HH12 ARG 85 HH12 ARG 85 59.785 63.013 27.158 703 HH21 ARG 85 HH21 ARG 85 61.211 60.021 27.464 704 HH22 ARG 85 HH22 ARG 85 61.344 61.645 26.895 705 HA PRO 86 HA PRO 86 50.204 58.871 27.411 706 HB2 PRO 86 HB2 PRO 86 49.452 56.448 26.338 707 HB3 PRO 86 HB3 PRO 86 49.882 57.884 25.346 708 HG2 PRO 86 HG2 PRO 86 51.703 55.545 26.115 709 HG3 PRO 86 HG3 PRO 86 51.408 56.284 24.488 710 HD2 PRO 86 HD2 PRO 86 53.507 56.837 26.162 711 HD3 PRO 86 HD3 PRO 86 52.824 58.063 25.069 712 H ILE 87 H ILE 87 48.919 58.416 29.035 713 HA ILE 87 HA ILE 87 49.898 56.738 31.147 714 HB ILE 87 HB ILE 87 47.395 58.365 30.673 715 HG12 ILE 87 HG12 ILE 87 49.234 59.602 31.509 716 HG13 ILE 87 HG13 ILE 87 48.113 59.408 32.850 717 HG21 ILE 87 HG21 ILE 87 47.684 56.205 32.783 718 HG22 ILE 87 HG22 ILE 87 46.618 57.605 33.030 719 HG23 ILE 87 HG23 ILE 87 46.338 56.506 31.674 720 HD11 ILE 87 HD11 ILE 87 50.157 59.000 33.862 721 HD12 ILE 87 HD12 ILE 87 49.555 57.355 33.532 722 HD13 ILE 87 HD13 ILE 87 50.791 58.072 32.486 723 H LYS 88 H LYS 88 49.872 54.785 31.421 724 HA LYS 88 HA LYS 88 47.844 53.098 30.113 725 HB2 LYS 88 HB2 LYS 88 50.252 52.857 29.486 726 HB3 LYS 88 HB3 LYS 88 50.649 52.393 31.143 727 HG2 LYS 88 HG2 LYS 88 50.462 50.520 29.506 728 HG3 LYS 88 HG3 LYS 88 49.586 50.368 31.059 729 HD2 LYS 88 HD2 LYS 88 47.530 51.029 29.988 730 HD3 LYS 88 HD3 LYS 88 48.361 51.193 28.435 731 HE2 LYS 88 HE2 LYS 88 48.034 48.606 30.100 732 HE3 LYS 88 HE3 LYS 88 47.049 49.027 28.694 733 HZ1 LYS 88 HZ1 LYS 88 49.183 49.012 27.431 734 HZ2 LYS 88 HZ2 LYS 88 49.913 48.380 28.723 735 HZ3 LYS 88 HZ3 LYS 88 48.775 47.522 27.975 736 H ILE 89 H ILE 89 46.265 52.459 31.423 737 HA ILE 89 HA ILE 89 46.679 52.394 34.332 738 HB ILE 89 HB ILE 89 44.249 51.742 32.642 739 HG12 ILE 89 HG12 ILE 89 43.508 53.943 33.975 740 HG13 ILE 89 HG13 ILE 89 45.234 54.242 34.067 741 HG21 ILE 89 HG21 ILE 89 44.546 52.174 35.650 742 HG22 ILE 89 HG22 ILE 89 43.028 51.804 34.799 743 HG23 ILE 89 HG23 ILE 89 44.291 50.582 34.911 744 HD11 ILE 89 HD11 ILE 89 43.792 53.723 31.446 745 HD12 ILE 89 HD12 ILE 89 43.913 55.338 32.158 746 HD13 ILE 89 HD13 ILE 89 45.391 54.494 31.682 747 H GLN 90 H GLN 90 46.645 50.476 35.591 748 HA GLN 90 HA GLN 90 46.840 47.844 34.279 749 HB2 GLN 90 HB2 GLN 90 48.954 48.838 36.234 750 HB3 GLN 90 HB3 GLN 90 48.856 47.220 35.510 751 HG2 GLN 90 HG2 GLN 90 49.211 48.170 33.272 752 HG3 GLN 90 HG3 GLN 90 49.311 49.794 33.991 753 HE21 GLN 90 HE22 GLN 90 51.353 49.412 32.492 754 HE22 GLN 90 HE21 GLN 90 52.777 48.896 33.405 755 H PHE 91 H PHE 91 46.342 46.134 35.600 756 HA PHE 91 HA PHE 91 45.383 46.446 38.346 757 HB2 PHE 91 HB2 PHE 91 43.629 47.690 37.543 758 HB3 PHE 91 HB3 PHE 91 43.530 46.849 36.025 759 HD1 PHE 91 HD2 PHE 91 42.757 46.617 39.659 760 HD2 PHE 91 HD1 PHE 91 41.993 45.034 35.741 761 HE1 PHE 91 HE2 PHE 91 40.754 45.420 40.538 762 HE2 PHE 91 HE1 PHE 91 39.992 43.817 36.630 763 HZ PHE 91 HZ PHE 91 39.299 44.137 38.983 764 H ARG 92 H ARG 92 44.997 44.608 39.355 765 HA ARG 92 HA ARG 92 45.636 42.053 37.975 766 HB2 ARG 92 HB2 ARG 92 45.266 42.585 40.962 767 HB3 ARG 92 HB3 ARG 92 45.614 41.046 40.262 768 HG2 ARG 92 HG2 ARG 92 47.444 43.446 40.431 769 HG3 ARG 92 HG3 ARG 92 47.601 41.907 41.254 770 HD2 ARG 92 HD2 ARG 92 47.913 42.209 38.239 771 HD3 ARG 92 HD3 ARG 92 49.231 42.270 39.412 772 HE ARG 92 HE ARG 92 47.883 39.823 39.882 773 HH11 ARG 92 HH11 ARG 92 49.918 41.323 37.366 774 HH12 ARG 92 HH12 ARG 92 50.607 39.757 37.040 775 HH21 ARG 92 HH21 ARG 92 48.804 37.918 39.174 776 HH22 ARG 92 HH22 ARG 92 50.133 37.998 38.060 777 H SER 93 H SER 93 44.102 40.488 37.590 778 HA SER 93 HA SER 93 41.312 41.043 37.974 779 HB2 SER 93 HB2 SER 93 41.123 38.638 37.096 780 HB3 SER 93 HB3 SER 93 41.983 39.807 36.087 781 HG SER 93 HG SER 93 43.102 37.894 36.359 782 H GLY 94 H GLY 94 39.747 39.596 39.025 783 HA2 GLY 94 HA2 GLY 94 40.472 37.540 40.778 784 HA3 GLY 94 HA3 GLY 94 40.199 38.997 41.756 785 H SER 95 H SER 95 38.517 37.594 42.731 786 HA SER 95 HA SER 95 35.897 37.785 41.482 787 HB2 SER 95 HB2 SER 95 37.055 35.569 40.609 788 HB3 SER 95 HB3 SER 95 36.789 34.958 42.229 789 HG SER 95 HG SER 95 35.120 34.663 40.605 790 H SER 96 H SER 96 34.167 37.097 42.925 791 HA SER 96 HA SER 96 34.901 37.016 45.821 792 HB2 SER 96 HB2 SER 96 32.429 38.016 44.402 793 HB3 SER 96 HB3 SER 96 32.488 37.690 46.156 794 HG SER 96 HG SER 96 33.788 39.573 44.633 795 H HIS 97 H HIS 97 32.815 35.856 46.946 796 HA HIS 97 HA HIS 97 33.180 33.088 45.909 797 HB2 HIS 97 HB2 HIS 97 32.970 34.138 48.688 798 HB3 HIS 97 HB3 HIS 97 33.128 32.414 48.247 799 HD2 HIS 97 HD2 HIS 97 35.098 34.937 49.616 800 HE1 HIS 97 HE1 HIS 97 37.949 32.995 47.159 801 HE2 HIS 97 HE2 HIS 97 37.601 34.536 49.113 802 H ALA 98 H ALA 98 31.598 31.411 46.599 803 HA ALA 98 HA ALA 98 28.753 32.279 46.309 804 HB1 ALA 98 HB1 ALA 98 30.307 30.357 44.540 805 HB2 ALA 98 HB2 ALA 98 28.637 30.923 44.261 806 HB3 ALA 98 HB3 ALA 98 30.012 32.047 44.113 807 HA PRO 99 HA PRO 99 28.044 29.139 49.187 808 HB2 PRO 99 HB2 PRO 99 25.530 28.147 48.662 809 HB3 PRO 99 HB3 PRO 99 25.819 29.702 49.450 810 HG2 PRO 99 HG2 PRO 99 25.326 29.104 46.498 811 HG3 PRO 99 HG3 PRO 99 24.569 30.394 47.464 812 HD2 PRO 99 HD2 PRO 99 26.653 30.886 45.784 813 HD3 PRO 99 HD3 PRO 99 26.593 31.713 47.346 814 H GLN 100 H GLN 100 28.014 26.913 49.653 815 HA GLN 100 HA GLN 100 28.590 25.143 47.366 816 HB2 GLN 100 HB2 GLN 100 28.441 24.269 50.274 817 HB3 GLN 100 HB3 GLN 100 29.093 23.421 48.878 818 HG2 GLN 100 HG2 GLN 100 30.371 25.850 50.172 819 HG3 GLN 100 HG3 GLN 100 30.909 24.175 50.237 820 HE21 GLN 100 HE22 GLN 100 30.864 27.069 48.283 821 HE22 GLN 100 HE21 GLN 100 31.703 26.385 46.909 822 H ASP 101 H ASP 101 26.336 25.305 50.080 823 HA ASP 101 HA ASP 101 24.034 24.252 48.600 824 HB2 ASP 101 HB2 ASP 101 23.510 22.676 50.325 825 HB3 ASP 101 HB3 ASP 101 25.069 22.332 49.559 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 32.257 47.413 83.478 2 H2 GLY 1 H2 GLY 1 31.976 46.808 81.980 3 H3 GLY 1 H3 GLY 1 31.728 48.400 82.275 4 HA2 GLY 1 HA2 GLY 1 33.961 48.911 82.405 5 HA3 GLY 1 HA3 GLY 1 34.327 47.186 82.698 6 H SER 2 H SER 2 34.989 45.998 81.026 7 HA SER 2 HA SER 2 34.005 46.438 78.326 8 HB2 SER 2 HB2 SER 2 36.253 46.690 77.294 9 HB3 SER 2 HB3 SER 2 35.828 48.070 78.292 10 HG SER 2 HG SER 2 37.940 46.964 78.571 11 H GLU 3 H GLU 3 34.761 44.659 76.868 12 HA GLU 3 HA GLU 3 35.079 42.131 78.284 13 HB2 GLU 3 HB2 GLU 3 34.869 42.897 75.360 14 HB3 GLU 3 HB3 GLU 3 35.269 41.248 75.827 15 HG2 GLU 3 HG2 GLU 3 32.734 42.728 76.558 16 HG3 GLU 3 HG3 GLU 3 32.925 41.375 75.421 17 H PHE 4 H PHE 4 36.430 40.473 77.910 18 HA PHE 4 HA PHE 4 39.252 41.353 77.978 19 HB2 PHE 4 HB2 PHE 4 38.333 40.168 79.934 20 HB3 PHE 4 HB3 PHE 4 37.964 38.773 78.931 21 HD1 PHE 4 HD2 PHE 4 40.822 40.728 80.343 22 HD2 PHE 4 HD1 PHE 4 39.615 37.211 78.175 23 HE1 PHE 4 HE2 PHE 4 43.127 39.789 80.548 24 HE2 PHE 4 HE1 PHE 4 41.876 36.237 78.502 25 HZ PHE 4 HZ PHE 4 43.600 37.486 79.750 26 H GLU 5 H GLU 5 37.179 38.694 76.459 27 HA GLU 5 HA GLU 5 39.154 38.666 74.277 28 HB2 GLU 5 HB2 GLU 5 39.279 36.629 75.502 29 HB3 GLU 5 HB3 GLU 5 37.514 36.466 75.579 30 HG2 GLU 5 HG2 GLU 5 37.296 36.135 73.330 31 HG3 GLU 5 HG3 GLU 5 38.930 36.663 72.929 32 H LEU 6 H LEU 6 38.405 39.569 72.533 33 HA LEU 6 HA LEU 6 35.552 39.428 71.853 34 HB2 LEU 6 HB2 LEU 6 36.904 41.840 72.831 35 HB3 LEU 6 HB3 LEU 6 36.466 42.073 71.153 36 HG LEU 6 HG LEU 6 34.575 41.359 73.405 37 HD11 LEU 6 HD11 LEU 6 35.340 43.714 73.318 38 HD12 LEU 6 HD12 LEU 6 34.760 43.858 71.655 39 HD13 LEU 6 HD13 LEU 6 33.602 43.541 72.959 40 HD21 LEU 6 HD21 LEU 6 34.098 41.541 70.394 41 HD22 LEU 6 HD22 LEU 6 33.642 40.250 71.540 42 HD23 LEU 6 HD23 LEU 6 32.810 41.806 71.580 43 H ARG 7 H ARG 7 34.970 39.852 69.772 44 HA ARG 7 HA ARG 7 36.964 39.038 67.783 45 HB2 ARG 7 HB2 ARG 7 33.991 39.497 67.511 46 HB3 ARG 7 HB3 ARG 7 35.052 38.734 66.325 47 HG2 ARG 7 HG2 ARG 7 34.046 37.592 68.957 48 HG3 ARG 7 HG3 ARG 7 33.856 36.945 67.327 49 HD2 ARG 7 HD2 ARG 7 36.383 36.573 67.317 50 HD3 ARG 7 HD3 ARG 7 36.364 37.166 68.995 51 HE ARG 7 HE ARG 7 34.647 34.813 68.449 52 HH11 ARG 7 HH11 ARG 7 37.817 35.980 69.479 53 HH12 ARG 7 HH12 ARG 7 38.105 34.522 70.427 54 HH21 ARG 7 HH21 ARG 7 35.231 32.990 69.727 55 HH22 ARG 7 HH22 ARG 7 36.786 32.967 70.539 56 H ARG 8 H ARG 8 37.834 40.202 66.377 57 HA ARG 8 HA ARG 8 36.856 42.881 65.528 58 HB2 ARG 8 HB2 ARG 8 39.672 41.713 65.557 59 HB3 ARG 8 HB3 ARG 8 39.247 43.086 64.554 60 HG2 ARG 8 HG2 ARG 8 38.550 44.378 66.537 61 HG3 ARG 8 HG3 ARG 8 38.848 42.980 67.572 62 HD2 ARG 8 HD2 ARG 8 40.641 44.670 67.747 63 HD3 ARG 8 HD3 ARG 8 41.243 43.111 67.156 64 HE ARG 8 HE ARG 8 40.529 45.221 65.162 65 HH11 ARG 8 HH11 ARG 8 43.287 44.112 67.097 66 HH12 ARG 8 HH12 ARG 8 44.281 44.075 65.649 67 HH21 ARG 8 HH21 ARG 8 41.923 45.554 63.659 68 HH22 ARG 8 HH22 ARG 8 43.622 45.157 63.845 69 H GLN 9 H GLN 9 36.427 39.783 64.401 70 HA GLN 9 HA GLN 9 36.488 40.497 61.551 71 HB2 GLN 9 HB2 GLN 9 35.796 38.113 63.197 72 HB3 GLN 9 HB3 GLN 9 34.800 38.335 61.759 73 HG2 GLN 9 HG2 GLN 9 36.854 38.560 60.402 74 HG3 GLN 9 HG3 GLN 9 37.799 37.933 61.756 75 HE21 GLN 9 HE22 GLN 9 36.406 36.828 58.963 76 HE22 GLN 9 HE21 GLN 9 35.887 35.243 59.523 77 H GLN 10 H GLN 10 33.760 39.396 63.417 78 HA GLN 10 HA GLN 10 31.624 39.754 63.597 79 HB2 GLN 10 HB2 GLN 10 32.867 42.447 63.903 80 HB3 GLN 10 HB3 GLN 10 31.147 42.143 64.295 81 HG2 GLN 10 HG2 GLN 10 32.201 40.216 65.835 82 HG3 GLN 10 HG3 GLN 10 33.689 41.136 65.574 83 HE21 GLN 10 HE22 GLN 10 32.056 40.850 68.239 84 HE22 GLN 10 HE21 GLN 10 31.561 42.491 68.595 85 H ALA 11 H ALA 11 32.732 41.686 60.907 86 HA ALA 11 HA ALA 11 30.150 41.374 59.524 87 HB1 ALA 11 HB1 ALA 11 29.737 43.555 60.209 88 HB2 ALA 11 HB2 ALA 11 31.478 43.989 60.241 89 HB3 ALA 11 HB3 ALA 11 30.605 43.883 58.717 90 H LEU 12 H LEU 12 30.676 42.592 57.201 91 HA LEU 12 HA LEU 12 32.649 41.008 55.834 92 HB2 LEU 12 HB2 LEU 12 31.109 43.464 54.901 93 HB3 LEU 12 HB3 LEU 12 31.898 42.271 53.881 94 HG LEU 12 HG LEU 12 29.347 41.961 55.495 95 HD11 LEU 12 HD11 LEU 12 29.217 42.978 53.346 96 HD12 LEU 12 HD12 LEU 12 30.097 41.624 52.582 97 HD13 LEU 12 HD13 LEU 12 28.490 41.340 53.298 98 HD21 LEU 12 HD21 LEU 12 30.714 39.881 55.824 99 HD22 LEU 12 HD22 LEU 12 29.299 39.604 54.807 100 HD23 LEU 12 HD23 LEU 12 30.919 39.778 54.055 101 H ALA 13 H ALA 13 33.938 42.107 54.081 102 HA ALA 13 HA ALA 13 35.419 44.504 54.869 103 HB1 ALA 13 HB1 ALA 13 37.616 43.239 54.587 104 HB2 ALA 13 HB2 ALA 13 36.714 42.771 56.037 105 HB3 ALA 13 HB3 ALA 13 36.685 41.730 54.607 106 H GLU 14 H GLU 14 36.771 45.345 53.004 107 HA GLU 14 HA GLU 14 36.700 43.809 50.482 108 HB2 GLU 14 HB2 GLU 14 35.730 46.656 50.772 109 HB3 GLU 14 HB3 GLU 14 36.472 46.115 49.286 110 HG2 GLU 14 HG2 GLU 14 33.784 45.352 50.414 111 HG3 GLU 14 HG3 GLU 14 34.189 46.149 48.920 112 H ALA 15 H ALA 15 38.565 44.217 49.141 113 HA ALA 15 HA ALA 15 40.831 45.519 50.606 114 HB1 ALA 15 HB1 ALA 15 41.054 43.078 48.854 115 HB2 ALA 15 HB2 ALA 15 42.235 43.773 49.977 116 HB3 ALA 15 HB3 ALA 15 40.791 42.961 50.613 117 H ASP 16 H ASP 16 42.677 46.205 49.376 118 HA ASP 16 HA ASP 16 43.791 47.282 47.723 119 HB2 ASP 16 HB2 ASP 16 42.494 45.044 46.177 120 HB3 ASP 16 HB3 ASP 16 43.790 46.052 45.509 121 H ARG 17 H ARG 17 42.098 49.004 48.286 122 HA ARG 17 HA ARG 17 40.203 49.421 46.110 123 HB2 ARG 17 HB2 ARG 17 39.244 51.194 47.312 124 HB3 ARG 17 HB3 ARG 17 39.381 49.720 48.303 125 HG2 ARG 17 HG2 ARG 17 41.437 50.760 49.393 126 HG3 ARG 17 HG3 ARG 17 41.089 52.251 48.497 127 HD2 ARG 17 HD2 ARG 17 38.720 52.096 49.618 128 HD3 ARG 17 HD3 ARG 17 39.438 50.838 50.609 129 HE ARG 17 HE ARG 17 39.964 53.747 50.751 130 HH11 ARG 17 HH11 ARG 17 41.109 50.541 51.657 131 HH12 ARG 17 HH12 ARG 17 41.793 51.144 53.129 132 HH21 ARG 17 HH21 ARG 17 41.062 54.422 52.631 133 HH22 ARG 17 HH22 ARG 17 41.765 53.205 53.634 134 H THR 18 H THR 18 42.984 49.675 45.435 135 HA THR 18 HA THR 18 43.177 52.474 44.496 136 HB THR 18 HB THR 18 45.276 51.242 46.298 137 HG1 THR 18 HG1 THR 18 44.168 52.191 47.571 138 HG21 THR 18 HG21 THR 18 46.273 52.725 44.450 139 HG22 THR 18 HG22 THR 18 45.239 54.047 45.086 140 HG23 THR 18 HG23 THR 18 46.491 53.325 46.108 141 H LEU 19 H LEU 19 44.453 52.762 42.749 142 HA LEU 19 HA LEU 19 44.493 50.304 41.114 143 HB2 LEU 19 HB2 LEU 19 42.711 52.248 40.874 144 HB3 LEU 19 HB3 LEU 19 44.025 53.202 40.232 145 HG LEU 19 HG LEU 19 44.343 51.424 38.437 146 HD11 LEU 19 HD11 LEU 19 41.918 50.352 39.926 147 HD12 LEU 19 HD12 LEU 19 42.132 50.019 38.185 148 HD13 LEU 19 HD13 LEU 19 43.341 49.467 39.339 149 HD21 LEU 19 HD21 LEU 19 43.027 53.556 38.126 150 HD22 LEU 19 HD22 LEU 19 42.412 52.220 37.142 151 HD23 LEU 19 HD23 LEU 19 41.565 52.693 38.634 152 H PHE 20 H PHE 20 46.367 49.775 40.009 153 HA PHE 20 HA PHE 20 48.618 51.552 40.315 154 HB2 PHE 20 HB2 PHE 20 48.783 49.000 40.226 155 HB3 PHE 20 HB3 PHE 20 48.529 49.144 38.496 156 HD1 PHE 20 HD1 PHE 20 50.220 50.224 37.023 157 HD2 PHE 20 HD2 PHE 20 50.978 49.733 41.237 158 HE1 PHE 20 HE1 PHE 20 52.672 50.294 36.613 159 HE2 PHE 20 HE2 PHE 20 53.367 50.266 40.849 160 HZ PHE 20 HZ PHE 20 54.224 50.539 38.534 161 H VAL 21 H VAL 21 49.613 52.933 38.836 162 HA VAL 21 HA VAL 21 48.754 52.822 35.985 163 HB VAL 21 HB VAL 21 49.018 55.366 37.585 164 HG11 VAL 21 HG11 VAL 21 47.753 55.030 34.823 165 HG12 VAL 21 HG12 VAL 21 48.264 56.516 35.642 166 HG13 VAL 21 HG13 VAL 21 49.466 55.367 34.995 167 HG21 VAL 21 HG21 VAL 21 46.822 53.914 38.038 168 HG22 VAL 21 HG22 VAL 21 46.669 55.615 37.654 169 HG23 VAL 21 HG23 VAL 21 46.409 54.357 36.395 170 H GLY 22 H GLY 22 50.362 52.721 34.747 171 HA2 GLY 22 HA2 GLY 22 53.101 53.637 35.521 172 HA3 GLY 22 HA3 GLY 22 52.830 52.190 34.617 173 H ASN 23 H ASN 23 54.326 53.409 33.304 174 HA ASN 23 HA ASN 23 54.960 54.464 31.385 175 HB2 ASN 23 HB2 ASN 23 52.813 53.075 30.625 176 HB3 ASN 23 HB3 ASN 23 52.103 54.652 30.475 177 HD21 ASN 23 HD21 ASN 23 51.914 53.985 28.280 178 HD22 ASN 23 HD22 ASN 23 53.328 54.121 27.189 179 H LEU 24 H LEU 24 54.463 55.972 33.660 180 HA LEU 24 HA LEU 24 53.094 58.446 33.116 181 HB2 LEU 24 HB2 LEU 24 55.242 57.646 35.097 182 HB3 LEU 24 HB3 LEU 24 54.568 59.253 35.015 183 HG LEU 24 HG LEU 24 53.685 57.509 36.750 184 HD11 LEU 24 HD11 LEU 24 51.928 59.337 35.113 185 HD12 LEU 24 HD12 LEU 24 51.403 58.582 36.642 186 HD13 LEU 24 HD13 LEU 24 52.767 59.686 36.664 187 HD21 LEU 24 HD21 LEU 24 52.950 55.726 35.193 188 HD22 LEU 24 HD22 LEU 24 51.572 56.406 36.106 189 HD23 LEU 24 HD23 LEU 24 51.823 56.818 34.407 190 H GLU 25 H GLU 25 54.103 60.532 32.975 191 HA GLU 25 HA GLU 25 56.441 60.564 31.188 192 HB2 GLU 25 HB2 GLU 25 54.091 62.092 31.405 193 HB3 GLU 25 HB3 GLU 25 55.322 63.160 32.043 194 HG2 GLU 25 HG2 GLU 25 55.901 61.644 29.476 195 HG3 GLU 25 HG3 GLU 25 54.829 63.000 29.372 196 H THR 26 H THR 26 57.984 62.363 31.489 197 HA THR 26 HA THR 26 59.452 61.836 33.898 198 HB THR 26 HB THR 26 61.273 63.036 32.693 199 HG1 THR 26 HG1 THR 26 59.322 63.580 30.757 200 HG21 THR 26 HG21 THR 26 61.320 61.687 30.561 201 HG22 THR 26 HG22 THR 26 60.839 60.671 31.919 202 HG23 THR 26 HG23 THR 26 59.611 61.266 30.808 203 H LYS 27 H LYS 27 57.398 64.353 32.860 204 HA LYS 27 HA LYS 27 58.223 66.310 34.973 205 HB2 LYS 27 HB2 LYS 27 56.545 66.715 32.499 206 HB3 LYS 27 HB3 LYS 27 57.113 67.966 33.593 207 HG2 LYS 27 HG2 LYS 27 59.043 66.198 31.993 208 HG3 LYS 27 HG3 LYS 27 58.357 67.665 31.363 209 HD2 LYS 27 HD2 LYS 27 60.468 68.268 32.169 210 HD3 LYS 27 HD3 LYS 27 59.306 68.913 33.365 211 HE2 LYS 27 HE2 LYS 27 59.859 67.200 34.913 212 HE3 LYS 27 HE3 LYS 27 60.685 66.256 33.637 213 HZ1 LYS 27 HZ1 LYS 27 62.325 67.353 34.959 214 HZ2 LYS 27 HZ2 LYS 27 62.281 68.221 33.589 215 HZ3 LYS 27 HZ3 LYS 27 61.547 68.766 34.935 216 H VAL 28 H VAL 28 56.410 63.758 35.162 217 HA VAL 28 HA VAL 28 53.767 64.704 35.588 218 HB VAL 28 HB VAL 28 54.470 62.421 34.843 219 HG11 VAL 28 HG11 VAL 28 56.029 61.893 36.675 220 HG12 VAL 28 HG12 VAL 28 54.633 61.752 37.791 221 HG13 VAL 28 HG13 VAL 28 54.809 60.637 36.433 222 HG21 VAL 28 HG21 VAL 28 52.116 63.228 35.637 223 HG22 VAL 28 HG22 VAL 28 52.425 61.496 35.462 224 HG23 VAL 28 HG23 VAL 28 52.422 62.249 37.075 225 H THR 29 H THR 29 52.401 64.524 37.338 226 HA THR 29 HA THR 29 53.357 64.479 40.053 227 HB THR 29 HB THR 29 52.189 66.667 40.656 228 HG1 THR 29 HG1 THR 29 52.515 67.380 38.008 229 HG21 THR 29 HG21 THR 29 54.766 67.042 39.076 230 HG22 THR 29 HG22 THR 29 54.198 67.935 40.523 231 HG23 THR 29 HG23 THR 29 54.643 66.248 40.655 232 H GLU 30 H GLU 30 51.563 64.497 41.611 233 HA GLU 30 HA GLU 30 49.304 63.130 40.798 234 HB2 GLU 30 HB2 GLU 30 49.445 64.995 43.231 235 HB3 GLU 30 HB3 GLU 30 48.329 63.642 43.027 236 HG2 GLU 30 HG2 GLU 30 50.312 62.105 42.966 237 HG3 GLU 30 HG3 GLU 30 51.327 63.490 43.385 238 H GLU 31 H GLU 31 49.830 66.525 40.587 239 HA GLU 31 HA GLU 31 47.029 67.308 40.308 240 HB2 GLU 31 HB2 GLU 31 49.678 68.683 39.709 241 HB3 GLU 31 HB3 GLU 31 48.101 69.446 39.436 242 HG2 GLU 31 HG2 GLU 31 47.520 68.945 41.849 243 HG3 GLU 31 HG3 GLU 31 49.146 68.337 42.101 244 H LEU 32 H LEU 32 49.569 66.372 38.000 245 HA LEU 32 HA LEU 32 47.959 66.824 35.642 246 HB2 LEU 32 HB2 LEU 32 50.405 66.610 35.687 247 HB3 LEU 32 HB3 LEU 32 50.331 64.955 36.254 248 HG LEU 32 HG LEU 32 50.963 65.329 33.898 249 HD11 LEU 32 HD11 LEU 32 50.317 63.055 34.300 250 HD12 LEU 32 HD12 LEU 32 48.570 63.464 34.184 251 HD13 LEU 32 HD13 LEU 32 49.625 63.578 32.785 252 HD21 LEU 32 HD21 LEU 32 49.286 67.105 33.408 253 HD22 LEU 32 HD22 LEU 32 49.234 65.788 32.216 254 HD23 LEU 32 HD23 LEU 32 47.988 65.885 33.469 255 H LEU 33 H LEU 33 48.623 64.044 37.721 256 HA LEU 33 HA LEU 33 46.945 62.137 36.416 257 HB2 LEU 33 HB2 LEU 33 47.632 62.373 39.351 258 HB3 LEU 33 HB3 LEU 33 47.067 60.907 38.557 259 HG LEU 33 HG LEU 33 49.746 62.255 37.937 260 HD11 LEU 33 HD11 LEU 33 49.370 59.537 39.226 261 HD12 LEU 33 HD12 LEU 33 50.846 60.481 39.034 262 HD13 LEU 33 HD13 LEU 33 49.604 61.024 40.179 263 HD21 LEU 33 HD21 LEU 33 48.621 60.964 36.007 264 HD22 LEU 33 HD22 LEU 33 50.236 60.502 36.497 265 HD23 LEU 33 HD23 LEU 33 48.817 59.534 37.037 266 H PHE 34 H PHE 34 46.152 64.418 39.125 267 HA PHE 34 HA PHE 34 43.428 63.548 39.375 268 HB2 PHE 34 HB2 PHE 34 44.815 64.875 41.006 269 HB3 PHE 34 HB3 PHE 34 44.613 66.270 39.932 270 HD1 PHE 34 HD1 PHE 34 42.398 67.286 39.565 271 HD2 PHE 34 HD2 PHE 34 43.011 64.217 42.528 272 HE1 PHE 34 HE1 PHE 34 40.332 67.975 40.689 273 HE2 PHE 34 HE2 PHE 34 40.867 64.883 43.634 274 HZ PHE 34 HZ PHE 34 39.507 66.708 42.693 275 H GLU 35 H GLU 35 44.925 66.194 37.445 276 HA GLU 35 HA GLU 35 42.548 67.153 36.260 277 HB2 GLU 35 HB2 GLU 35 44.514 68.474 36.298 278 HB3 GLU 35 HB3 GLU 35 45.514 67.218 35.568 279 HG2 GLU 35 HG2 GLU 35 44.843 67.613 33.449 280 HG3 GLU 35 HG3 GLU 35 43.415 68.522 33.893 281 H LEU 36 H LEU 36 44.613 64.467 35.272 282 HA LEU 36 HA LEU 36 43.145 63.883 32.854 283 HB2 LEU 36 HB2 LEU 36 45.427 63.519 32.829 284 HB3 LEU 36 HB3 LEU 36 45.450 62.674 34.369 285 HG LEU 36 HG LEU 36 43.998 61.345 32.080 286 HD11 LEU 36 HD11 LEU 36 46.996 61.630 32.442 287 HD12 LEU 36 HD12 LEU 36 46.279 60.155 31.724 288 HD13 LEU 36 HD13 LEU 36 46.093 61.723 30.934 289 HD21 LEU 36 HD21 LEU 36 45.823 60.332 34.326 290 HD22 LEU 36 HD22 LEU 36 44.049 60.342 34.422 291 HD23 LEU 36 HD23 LEU 36 44.864 59.319 33.243 292 H PHE 37 H PHE 37 43.208 62.372 36.183 293 HA PHE 37 HA PHE 37 41.177 60.454 35.273 294 HB2 PHE 37 HB2 PHE 37 42.476 60.662 38.000 295 HB3 PHE 37 HB3 PHE 37 41.302 59.464 37.459 296 HD1 PHE 37 HD2 PHE 37 41.893 58.203 35.218 297 HD2 PHE 37 HD1 PHE 37 44.758 60.127 37.782 298 HE1 PHE 37 HE2 PHE 37 43.652 56.521 34.550 299 HE2 PHE 37 HE1 PHE 37 46.507 58.555 37.036 300 HZ PHE 37 HZ PHE 37 45.931 56.707 35.459 301 H HIS 38 H HIS 38 40.907 63.643 36.584 302 HA HIS 38 HA HIS 38 38.479 63.417 37.978 303 HB2 HIS 38 HB2 HIS 38 39.900 65.560 37.548 304 HB3 HIS 38 HB3 HIS 38 39.059 65.610 35.988 305 HD2 HIS 38 HD2 HIS 38 36.468 66.033 35.995 306 HE1 HIS 38 HE1 HIS 38 36.558 68.225 39.624 307 HE2 HIS 38 HE2 HIS 38 35.218 67.717 37.523 308 H GLN 39 H GLN 39 38.922 63.390 34.403 309 HA GLN 39 HA GLN 39 36.025 63.052 34.034 310 HB2 GLN 39 HB2 GLN 39 36.484 62.944 31.635 311 HB3 GLN 39 HB3 GLN 39 37.215 64.368 32.374 312 HG2 GLN 39 HG2 GLN 39 39.390 63.168 32.490 313 HG3 GLN 39 HG3 GLN 39 38.664 61.726 31.791 314 HE21 GLN 39 HE22 GLN 39 40.841 63.675 30.989 315 HE22 GLN 39 HE21 GLN 39 40.416 64.230 29.360 316 H ALA 40 H ALA 40 38.284 60.866 35.066 317 HA ALA 40 HA ALA 40 36.945 58.553 33.817 318 HB1 ALA 40 HB1 ALA 40 39.260 58.593 35.791 319 HB2 ALA 40 HB2 ALA 40 38.685 57.237 34.798 320 HB3 ALA 40 HB3 ALA 40 39.457 58.647 34.028 321 H GLY 41 H GLY 41 35.908 60.598 35.927 322 HA2 GLY 41 HA2 GLY 41 33.975 60.336 37.176 323 HA3 GLY 41 HA3 GLY 41 34.302 58.615 37.397 324 HA PRO 42 HA PRO 42 35.034 61.135 41.203 325 HB2 PRO 42 HB2 PRO 42 33.785 59.648 43.032 326 HB3 PRO 42 HB3 PRO 42 32.926 60.486 41.709 327 HG2 PRO 42 HG2 PRO 42 33.617 57.552 41.830 328 HG3 PRO 42 HG3 PRO 42 32.081 58.367 41.351 329 HD2 PRO 42 HD2 PRO 42 34.076 57.516 39.613 330 HD3 PRO 42 HD3 PRO 42 32.839 58.740 39.242 331 H VAL 43 H VAL 43 37.468 60.647 40.665 332 HA VAL 43 HA VAL 43 38.772 58.641 42.266 333 HB VAL 43 HB VAL 43 40.796 60.009 42.233 334 HG11 VAL 43 HG11 VAL 43 39.577 59.875 39.465 335 HG12 VAL 43 HG12 VAL 43 41.300 59.887 39.919 336 HG13 VAL 43 HG13 VAL 43 40.290 58.488 40.327 337 HG21 VAL 43 HG21 VAL 43 39.804 62.275 42.273 338 HG22 VAL 43 HG22 VAL 43 40.983 62.032 40.977 339 HG23 VAL 43 HG23 VAL 43 39.232 62.028 40.607 340 H ILE 44 H ILE 44 39.455 58.695 44.314 341 HA ILE 44 HA ILE 44 38.324 60.664 46.240 342 HB ILE 44 HB ILE 44 39.833 58.035 46.444 343 HG12 ILE 44 HG12 ILE 44 37.703 57.640 45.544 344 HG13 ILE 44 HG13 ILE 44 37.692 57.074 47.174 345 HG21 ILE 44 HG21 ILE 44 38.730 59.903 48.588 346 HG22 ILE 44 HG22 ILE 44 39.339 58.265 48.943 347 HG23 ILE 44 HG23 ILE 44 40.430 59.474 48.306 348 HD11 ILE 44 HD11 ILE 44 35.582 58.349 46.376 349 HD12 ILE 44 HD12 ILE 44 36.290 58.926 47.903 350 HD13 ILE 44 HD13 ILE 44 36.527 59.811 46.377 351 H LYS 45 H LYS 45 41.478 59.377 45.302 352 HA LYS 45 HA LYS 45 42.830 61.911 45.566 353 HB2 LYS 45 HB2 LYS 45 44.189 61.361 47.468 354 HB3 LYS 45 HB3 LYS 45 42.499 61.181 47.923 355 HG2 LYS 45 HG2 LYS 45 42.709 58.668 47.594 356 HG3 LYS 45 HG3 LYS 45 44.440 58.898 47.343 357 HD2 LYS 45 HD2 LYS 45 44.326 58.415 49.636 358 HD3 LYS 45 HD3 LYS 45 44.274 60.200 49.664 359 HE2 LYS 45 HE2 LYS 45 41.860 60.132 49.829 360 HE3 LYS 45 HE3 LYS 45 41.865 58.367 49.727 361 HZ1 LYS 45 HZ1 LYS 45 43.231 58.317 51.758 362 HZ2 LYS 45 HZ2 LYS 45 43.089 59.938 51.911 363 HZ3 LYS 45 HZ3 LYS 45 41.781 58.983 52.014 364 H VAL 46 H VAL 46 45.184 61.645 45.124 365 HA VAL 46 HA VAL 46 45.853 59.222 43.477 366 HB VAL 46 HB VAL 46 46.586 62.146 43.159 367 HG11 VAL 46 HG11 VAL 46 47.359 60.106 41.086 368 HG12 VAL 46 HG12 VAL 46 47.897 61.792 41.362 369 HG13 VAL 46 HG13 VAL 46 48.475 60.516 42.403 370 HG21 VAL 46 HG21 VAL 46 44.331 61.760 42.222 371 HG22 VAL 46 HG22 VAL 46 45.488 62.034 40.936 372 HG23 VAL 46 HG23 VAL 46 44.930 60.391 41.263 373 H LYS 47 H LYS 47 47.976 58.357 43.614 374 HA LYS 47 HA LYS 47 49.966 59.577 45.492 375 HB2 LYS 47 HB2 LYS 47 49.349 57.376 46.333 376 HB3 LYS 47 HB3 LYS 47 49.341 56.734 44.685 377 HG2 LYS 47 HG2 LYS 47 51.178 55.829 45.978 378 HG3 LYS 47 HG3 LYS 47 51.788 56.735 44.599 379 HD2 LYS 47 HD2 LYS 47 52.322 58.648 46.089 380 HD3 LYS 47 HD3 LYS 47 51.719 57.720 47.477 381 HE2 LYS 47 HE2 LYS 47 53.366 55.945 47.011 382 HE3 LYS 47 HE3 LYS 47 53.998 56.875 45.642 383 HZ1 LYS 47 HZ1 LYS 47 55.216 57.316 47.767 384 HZ2 LYS 47 HZ2 LYS 47 54.526 58.669 47.147 385 HZ3 LYS 47 HZ3 LYS 47 53.847 57.881 48.400 386 H ILE 48 H ILE 48 51.524 60.520 44.547 387 HA ILE 48 HA ILE 48 52.969 59.306 42.247 388 HB ILE 48 HB ILE 48 52.846 61.968 43.561 389 HG12 ILE 48 HG12 ILE 48 51.686 61.140 41.409 390 HG13 ILE 48 HG13 ILE 48 52.489 62.727 41.409 391 HG21 ILE 48 HG21 ILE 48 55.298 61.092 42.035 392 HG22 ILE 48 HG22 ILE 48 54.826 62.777 42.340 393 HG23 ILE 48 HG23 ILE 48 55.230 61.722 43.708 394 HD11 ILE 48 HD11 ILE 48 53.802 60.245 40.205 395 HD12 ILE 48 HD12 ILE 48 52.752 61.386 39.323 396 HD13 ILE 48 HD13 ILE 48 54.279 61.935 40.029 397 HA PRO 49 HA PRO 49 56.142 57.865 45.258 398 HB2 PRO 49 HB2 PRO 49 57.575 56.378 43.474 399 HB3 PRO 49 HB3 PRO 49 56.110 55.777 44.251 400 HG2 PRO 49 HG2 PRO 49 56.390 57.027 41.491 401 HG3 PRO 49 HG3 PRO 49 55.449 55.569 41.956 402 HD2 PRO 49 HD2 PRO 49 54.383 58.076 41.568 403 HD3 PRO 49 HD3 PRO 49 53.666 56.968 42.748 404 H LYS 50 H LYS 50 58.623 57.930 45.015 405 HA LYS 50 HA LYS 50 59.831 59.665 43.114 406 HB2 LYS 50 HB2 LYS 50 59.108 60.793 45.806 407 HB3 LYS 50 HB3 LYS 50 60.679 61.203 45.084 408 HG2 LYS 50 HG2 LYS 50 59.075 61.574 42.919 409 HG3 LYS 50 HG3 LYS 50 57.921 61.958 44.188 410 HD2 LYS 50 HD2 LYS 50 59.333 63.789 44.985 411 HD3 LYS 50 HD3 LYS 50 60.682 63.235 43.965 412 HE2 LYS 50 HE2 LYS 50 59.357 63.619 41.936 413 HE3 LYS 50 HE3 LYS 50 57.932 64.001 42.902 414 HZ1 LYS 50 HZ1 LYS 50 59.083 65.975 43.695 415 HZ2 LYS 50 HZ2 LYS 50 60.389 65.628 42.805 416 HZ3 LYS 50 HZ3 LYS 50 58.970 65.981 42.088 417 H ASP 51 H ASP 51 61.514 58.755 42.802 418 HA ASP 51 HA ASP 51 63.250 57.076 44.352 419 HB2 ASP 51 HB2 ASP 51 63.290 57.179 41.904 420 HB3 ASP 51 HB3 ASP 51 63.824 58.874 41.953 421 H LYS 52 H LYS 52 65.489 57.488 45.083 422 HA LYS 52 HA LYS 52 65.936 59.567 46.846 423 HB2 LYS 52 HB2 LYS 52 68.331 59.101 46.641 424 HB3 LYS 52 HB3 LYS 52 67.374 57.659 46.810 425 HG2 LYS 52 HG2 LYS 52 68.602 56.874 45.078 426 HG3 LYS 52 HG3 LYS 52 67.536 57.828 44.050 427 HD2 LYS 52 HD2 LYS 52 69.179 59.758 44.212 428 HD3 LYS 52 HD3 LYS 52 70.215 58.720 45.208 429 HE2 LYS 52 HE2 LYS 52 70.224 57.098 43.208 430 HE3 LYS 52 HE3 LYS 52 69.452 58.374 42.281 431 HZ1 LYS 52 HZ1 LYS 52 72.066 58.206 42.293 432 HZ2 LYS 52 HZ2 LYS 52 71.370 59.660 42.349 433 HZ3 LYS 52 HZ3 LYS 52 71.961 59.014 43.679 434 H ASP 53 H ASP 53 66.664 59.572 43.284 435 HA ASP 53 HA ASP 53 67.693 62.254 43.183 436 HB2 ASP 53 HB2 ASP 53 68.039 60.523 41.454 437 HB3 ASP 53 HB3 ASP 53 66.347 60.654 40.969 438 H GLY 54 H GLY 54 64.462 60.939 43.335 439 HA2 GLY 54 HA2 GLY 54 62.619 62.281 44.070 440 HA3 GLY 54 HA3 GLY 54 63.292 63.671 43.260 441 H LYS 55 H LYS 55 62.501 60.352 41.923 442 HA LYS 55 HA LYS 55 60.679 61.750 40.030 443 HB2 LYS 55 HB2 LYS 55 62.895 61.291 39.022 444 HB3 LYS 55 HB3 LYS 55 62.641 59.550 39.226 445 HG2 LYS 55 HG2 LYS 55 61.956 59.873 36.965 446 HG3 LYS 55 HG3 LYS 55 60.451 59.929 37.795 447 HD2 LYS 55 HD2 LYS 55 60.421 61.918 36.445 448 HD3 LYS 55 HD3 LYS 55 60.911 62.531 38.032 449 HE2 LYS 55 HE2 LYS 55 63.336 62.239 37.287 450 HE3 LYS 55 HE3 LYS 55 62.709 61.952 35.657 451 HZ1 LYS 55 HZ1 LYS 55 61.773 64.171 35.709 452 HZ2 LYS 55 HZ2 LYS 55 62.289 64.400 37.252 453 HZ3 LYS 55 HZ3 LYS 55 63.363 64.208 36.081 454 HA PRO 56 HA PRO 56 57.946 58.548 41.204 455 HB2 PRO 56 HB2 PRO 56 56.044 58.774 39.092 456 HB3 PRO 56 HB3 PRO 56 56.131 59.760 40.590 457 HG2 PRO 56 HG2 PRO 56 57.243 60.175 37.834 458 HG3 PRO 56 HG3 PRO 56 56.445 61.437 38.889 459 HD2 PRO 56 HD2 PRO 56 59.085 61.393 38.570 460 HD3 PRO 56 HD3 PRO 56 58.337 61.781 40.126 461 H LYS 57 H LYS 57 60.110 57.952 38.981 462 HA LYS 57 HA LYS 57 60.847 56.029 37.894 463 HB2 LYS 57 HB2 LYS 57 58.850 54.591 39.665 464 HB3 LYS 57 HB3 LYS 57 60.354 53.957 38.981 465 HG2 LYS 57 HG2 LYS 57 61.057 54.241 41.078 466 HG3 LYS 57 HG3 LYS 57 61.432 55.876 40.493 467 HD2 LYS 57 HD2 LYS 57 59.412 56.749 41.609 468 HD3 LYS 57 HD3 LYS 57 58.908 55.117 42.057 469 HE2 LYS 57 HE2 LYS 57 61.623 56.237 42.820 470 HE3 LYS 57 HE3 LYS 57 60.136 56.719 43.710 471 HZ1 LYS 57 HZ1 LYS 57 61.245 54.017 43.577 472 HZ2 LYS 57 HZ2 LYS 57 61.210 54.999 44.825 473 HZ3 LYS 57 HZ3 LYS 57 59.795 54.446 44.249 474 H GLN 58 H GLN 58 58.499 57.312 36.665 475 HA GLN 58 HA GLN 58 57.063 57.154 35.021 476 HB2 GLN 58 HB2 GLN 58 58.618 54.754 34.296 477 HB3 GLN 58 HB3 GLN 58 57.141 55.255 33.398 478 HG2 GLN 58 HG2 GLN 58 58.106 57.551 33.192 479 HG3 GLN 58 HG3 GLN 58 59.643 56.896 33.756 480 HE21 GLN 58 HE21 GLN 58 57.224 56.885 31.094 481 HE22 GLN 58 HE22 GLN 58 58.212 56.000 29.978 482 H PHE 59 H PHE 59 56.129 56.329 37.578 483 HA PHE 59 HA PHE 59 53.689 54.938 36.868 484 HB2 PHE 59 HB2 PHE 59 53.676 53.136 38.150 485 HB3 PHE 59 HB3 PHE 59 55.142 53.102 37.183 486 HD1 PHE 59 HD1 PHE 59 53.824 53.706 40.648 487 HD2 PHE 59 HD2 PHE 59 57.206 52.715 38.183 488 HE1 PHE 59 HE1 PHE 59 55.105 53.126 42.669 489 HE2 PHE 59 HE2 PHE 59 58.516 52.128 40.230 490 HZ PHE 59 HZ PHE 59 57.461 52.319 42.471 491 H ALA 60 H ALA 60 52.233 54.866 38.803 492 HA ALA 60 HA ALA 60 52.490 56.467 41.240 493 HB1 ALA 60 HB1 ALA 60 51.212 57.505 38.730 494 HB2 ALA 60 HB2 ALA 60 50.454 57.854 40.296 495 HB3 ALA 60 HB3 ALA 60 52.131 58.348 40.010 496 H PHE 61 H PHE 61 49.970 56.621 42.044 497 HA PHE 61 HA PHE 61 48.328 54.394 41.043 498 HB2 PHE 61 HB2 PHE 61 49.126 54.803 43.967 499 HB3 PHE 61 HB3 PHE 61 47.670 53.986 43.487 500 HD1 PHE 61 HD2 PHE 61 51.356 53.822 43.793 501 HD2 PHE 61 HD1 PHE 61 47.805 51.571 42.817 502 HE1 PHE 61 HE2 PHE 61 52.544 51.709 44.285 503 HE2 PHE 61 HE1 PHE 61 49.051 49.471 43.196 504 HZ PHE 61 HZ PHE 61 51.407 49.520 43.927 505 H VAL 62 H VAL 62 46.029 54.553 41.727 506 HA VAL 62 HA VAL 62 45.121 57.186 42.752 507 HB VAL 62 HB VAL 62 43.926 55.938 40.229 508 HG11 VAL 62 HG11 VAL 62 43.333 58.459 41.815 509 HG12 VAL 62 HG12 VAL 62 42.729 58.147 40.159 510 HG13 VAL 62 HG13 VAL 62 42.218 57.111 41.490 511 HG21 VAL 62 HG21 VAL 62 46.047 56.942 39.684 512 HG22 VAL 62 HG22 VAL 62 44.785 58.104 39.205 513 HG23 VAL 62 HG23 VAL 62 45.687 58.364 40.714 514 H ASN 63 H ASN 63 43.306 57.253 43.896 515 HA ASN 63 HA ASN 63 42.404 54.683 44.983 516 HB2 ASN 63 HB2 ASN 63 43.411 56.540 46.409 517 HB3 ASN 63 HB3 ASN 63 41.960 57.480 46.019 518 HD21 ASN 63 HD22 ASN 63 42.437 53.985 46.981 519 HD22 ASN 63 HD21 ASN 63 40.949 54.032 47.923 520 H PHE 64 H PHE 64 40.373 54.078 45.328 521 HA PHE 64 HA PHE 64 38.080 55.592 44.284 522 HB2 PHE 64 HB2 PHE 64 39.162 52.907 43.472 523 HB3 PHE 64 HB3 PHE 64 37.410 53.132 43.440 524 HD1 PHE 64 HD2 PHE 64 36.473 55.129 42.081 525 HD2 PHE 64 HD1 PHE 64 40.495 53.635 41.607 526 HE1 PHE 64 HE2 PHE 64 36.825 56.685 40.208 527 HE2 PHE 64 HE1 PHE 64 40.797 55.118 39.642 528 HZ PHE 64 HZ PHE 64 39.025 56.731 39.019 529 H LYS 65 H LYS 65 36.083 54.648 45.112 530 HA LYS 65 HA LYS 65 36.111 54.098 47.993 531 HB2 LYS 65 HB2 LYS 65 34.836 55.951 46.757 532 HB3 LYS 65 HB3 LYS 65 33.793 54.691 46.113 533 HG2 LYS 65 HG2 LYS 65 33.205 54.096 48.502 534 HG3 LYS 65 HG3 LYS 65 34.238 55.465 49.017 535 HD2 LYS 65 HD2 LYS 65 32.904 57.030 47.692 536 HD3 LYS 65 HD3 LYS 65 31.915 55.718 47.056 537 HE2 LYS 65 HE2 LYS 65 30.917 55.315 49.221 538 HE3 LYS 65 HE3 LYS 65 31.959 56.561 49.966 539 HZ1 LYS 65 HZ1 LYS 65 30.936 58.172 48.504 540 HZ2 LYS 65 HZ2 LYS 65 30.113 57.034 47.709 541 HZ3 LYS 65 HZ3 LYS 65 29.719 57.421 49.239 542 H HIS 66 H HIS 66 37.088 51.965 47.287 543 HA HIS 66 HA HIS 66 37.055 49.726 46.940 544 HB2 HIS 66 HB2 HIS 66 34.262 49.681 48.088 545 HB3 HIS 66 HB3 HIS 66 35.503 48.428 48.168 546 HD2 HIS 66 HD2 HIS 66 37.272 48.581 50.123 547 HE1 HIS 66 HE1 HIS 66 35.823 52.173 51.899 548 HE2 HIS 66 HE2 HIS 66 37.459 50.246 52.143 549 H GLU 67 H GLU 67 36.225 51.313 44.681 550 HA GLU 67 HA GLU 67 34.717 49.261 43.101 551 HB2 GLU 67 HB2 GLU 67 33.557 50.839 41.834 552 HB3 GLU 67 HB3 GLU 67 33.168 50.957 43.530 553 HG2 GLU 67 HG2 GLU 67 34.600 53.020 43.676 554 HG3 GLU 67 HG3 GLU 67 34.945 52.847 41.956 555 H VAL 68 H VAL 68 37.537 49.411 43.395 556 HA VAL 68 HA VAL 68 38.866 50.112 40.981 557 HB VAL 68 HB VAL 68 40.391 48.191 41.653 558 HG11 VAL 68 HG11 VAL 68 39.677 50.400 43.617 559 HG12 VAL 68 HG12 VAL 68 41.208 49.466 43.592 560 HG13 VAL 68 HG13 VAL 68 40.761 50.496 42.221 561 HG21 VAL 68 HG21 VAL 68 40.096 47.190 43.869 562 HG22 VAL 68 HG22 VAL 68 38.543 47.994 44.108 563 HG23 VAL 68 HG23 VAL 68 38.715 46.771 42.846 564 H SER 69 H SER 69 36.493 47.655 41.418 565 HA SER 69 HA SER 69 37.164 45.887 39.266 566 HB2 SER 69 HB2 SER 69 35.622 45.428 41.170 567 HB3 SER 69 HB3 SER 69 34.429 46.491 40.423 568 HG SER 69 HG SER 69 34.281 44.302 39.796 569 H VAL 70 H VAL 70 36.512 45.827 37.139 570 HA VAL 70 HA VAL 70 36.764 46.893 35.112 571 HB VAL 70 HB VAL 70 33.972 47.924 35.730 572 HG11 VAL 70 HG11 VAL 70 35.269 47.358 33.034 573 HG12 VAL 70 HG12 VAL 70 33.563 47.751 33.336 574 HG13 VAL 70 HG13 VAL 70 34.790 48.952 33.680 575 HG21 VAL 70 HG21 VAL 70 33.758 45.620 36.068 576 HG22 VAL 70 HG22 VAL 70 33.273 45.842 34.385 577 HG23 VAL 70 HG23 VAL 70 34.869 45.192 34.728 578 HA PRO 71 HA PRO 71 38.034 50.881 37.279 579 HB2 PRO 71 HB2 PRO 71 40.563 50.941 36.153 580 HB3 PRO 71 HB3 PRO 71 40.050 50.190 37.722 581 HG2 PRO 71 HG2 PRO 71 40.551 48.893 35.036 582 HG3 PRO 71 HG3 PRO 71 41.029 48.313 36.667 583 HD2 PRO 71 HD2 PRO 71 38.885 47.406 35.297 584 HD3 PRO 71 HD3 PRO 71 38.889 47.501 37.087 585 H TYR 72 H TYR 72 37.284 52.704 36.447 586 HA TYR 72 HA TYR 72 36.157 52.669 33.921 587 HB2 TYR 72 HB2 TYR 72 35.512 54.075 35.981 588 HB3 TYR 72 HB3 TYR 72 36.659 55.279 35.430 589 HD1 TYR 72 HD2 TYR 72 33.480 53.582 34.805 590 HD2 TYR 72 HD1 TYR 72 36.199 56.595 33.361 591 HE1 TYR 72 HE2 TYR 72 31.880 54.158 33.011 592 HE2 TYR 72 HE1 TYR 72 34.445 57.411 31.783 593 HH TYR 72 HH TYR 72 32.283 56.932 30.897 594 H ALA 73 H ALA 73 39.107 54.348 34.970 595 HA ALA 73 HA ALA 73 39.717 55.701 32.635 596 HB1 ALA 73 HB1 ALA 73 41.595 54.568 34.764 597 HB2 ALA 73 HB2 ALA 73 42.004 55.802 33.546 598 HB3 ALA 73 HB3 ALA 73 40.793 56.146 34.801 599 H MET 74 H MET 74 40.213 52.298 33.336 600 HA MET 74 HA MET 74 42.229 51.732 31.444 601 HB2 MET 74 HB2 MET 74 41.101 50.365 33.443 602 HB3 MET 74 HB3 MET 74 40.164 49.635 32.138 603 HG2 MET 74 HG2 MET 74 43.188 49.800 32.220 604 HG3 MET 74 HG3 MET 74 42.292 48.493 32.966 605 HE1 MET 74 HE1 MET 74 40.916 46.606 31.717 606 HE2 MET 74 HE2 MET 74 39.936 47.770 30.803 607 HE3 MET 74 HE3 MET 74 40.795 46.477 29.955 608 H ASN 75 H ASN 75 38.752 52.283 31.040 609 HA ASN 75 HA ASN 75 39.058 51.794 28.126 610 HB2 ASN 75 HB2 ASN 75 37.106 50.805 29.149 611 HB3 ASN 75 HB3 ASN 75 36.532 52.350 29.727 612 HD21 ASN 75 HD22 ASN 75 35.396 53.698 28.178 613 HD22 ASN 75 HD21 ASN 75 35.352 53.281 26.467 614 H LEU 76 H LEU 76 38.687 54.546 30.448 615 HA LEU 76 HA LEU 76 37.838 56.303 28.366 616 HB2 LEU 76 HB2 LEU 76 37.625 56.239 31.046 617 HB3 LEU 76 HB3 LEU 76 39.123 57.127 31.003 618 HG LEU 76 HG LEU 76 37.048 58.366 31.446 619 HD11 LEU 76 HD11 LEU 76 38.479 59.457 28.993 620 HD12 LEU 76 HD12 LEU 76 37.375 60.336 30.057 621 HD13 LEU 76 HD13 LEU 76 38.905 59.744 30.710 622 HD21 LEU 76 HD21 LEU 76 35.606 57.194 29.756 623 HD22 LEU 76 HD22 LEU 76 35.487 58.969 29.766 624 HD23 LEU 76 HD23 LEU 76 36.411 58.159 28.490 625 H LEU 77 H LEU 77 40.871 56.075 30.131 626 HA LEU 77 HA LEU 77 42.227 57.838 28.161 627 HB2 LEU 77 HB2 LEU 77 43.340 56.882 30.818 628 HB3 LEU 77 HB3 LEU 77 44.059 57.990 29.680 629 HG LEU 77 HG LEU 77 43.539 59.272 31.420 630 HD11 LEU 77 HD11 LEU 77 41.025 59.661 29.724 631 HD12 LEU 77 HD12 LEU 77 41.620 60.815 30.935 632 HD13 LEU 77 HD13 LEU 77 42.587 60.501 29.526 633 HD21 LEU 77 HD21 LEU 77 42.426 57.690 32.711 634 HD22 LEU 77 HD22 LEU 77 41.719 59.295 32.862 635 HD23 LEU 77 HD23 LEU 77 40.838 58.059 31.939 636 H ASN 78 H ASN 78 43.728 55.247 30.062 637 HA ASN 78 HA ASN 78 45.679 54.235 29.302 638 HB2 ASN 78 HB2 ASN 78 43.866 52.789 30.062 639 HB3 ASN 78 HB3 ASN 78 43.338 52.571 28.347 640 HD21 ASN 78 HD22 ASN 78 45.565 51.918 27.069 641 HD22 ASN 78 HD21 ASN 78 46.099 50.373 27.747 642 H GLY 79 H GLY 79 46.633 55.650 27.776 643 HA2 GLY 79 HA2 GLY 79 47.942 55.187 25.700 644 HA3 GLY 79 HA3 GLY 79 46.439 54.855 24.858 645 H ILE 80 H ILE 80 46.854 57.567 27.166 646 HA ILE 80 HA ILE 80 46.488 59.421 24.857 647 HB ILE 80 HB ILE 80 44.733 60.584 25.822 648 HG12 ILE 80 HG12 ILE 80 43.802 59.480 28.116 649 HG13 ILE 80 HG13 ILE 80 45.578 59.272 28.320 650 HG21 ILE 80 HG21 ILE 80 44.105 57.605 26.037 651 HG22 ILE 80 HG22 ILE 80 42.902 58.899 26.083 652 HG23 ILE 80 HG23 ILE 80 43.902 58.672 24.648 653 HD11 ILE 80 HD11 ILE 80 44.043 61.836 27.787 654 HD12 ILE 80 HD12 ILE 80 44.798 61.399 29.319 655 HD13 ILE 80 HD13 ILE 80 45.826 61.751 27.926 656 H LYS 81 H LYS 81 47.426 61.348 25.017 657 HA LYS 81 HA LYS 81 48.484 62.331 27.519 658 HB2 LYS 81 HB2 LYS 81 50.937 62.453 26.516 659 HB3 LYS 81 HB3 LYS 81 50.317 61.094 27.393 660 HG2 LYS 81 HG2 LYS 81 51.472 60.190 25.561 661 HG3 LYS 81 HG3 LYS 81 49.745 59.976 25.224 662 HD2 LYS 81 HD2 LYS 81 49.890 61.955 23.657 663 HD3 LYS 81 HD3 LYS 81 51.567 62.154 24.152 664 HE2 LYS 81 HE2 LYS 81 52.020 59.795 23.218 665 HE3 LYS 81 HE3 LYS 81 50.319 59.740 22.699 666 HZ1 LYS 81 HZ1 LYS 81 51.693 60.447 20.850 667 HZ2 LYS 81 HZ2 LYS 81 50.730 61.671 21.382 668 HZ3 LYS 81 HZ3 LYS 81 52.278 61.694 21.762 669 H LEU 82 H LEU 82 50.009 64.176 27.122 670 HA LEU 82 HA LEU 82 49.583 66.017 24.818 671 HB2 LEU 82 HB2 LEU 82 47.995 66.709 26.496 672 HB3 LEU 82 HB3 LEU 82 49.228 66.739 27.749 673 HG LEU 82 HG LEU 82 50.422 68.544 26.412 674 HD11 LEU 82 HD11 LEU 82 47.934 68.246 24.717 675 HD12 LEU 82 HD12 LEU 82 48.663 69.851 24.920 676 HD13 LEU 82 HD13 LEU 82 49.609 68.543 24.202 677 HD21 LEU 82 HD21 LEU 82 48.750 70.298 27.135 678 HD22 LEU 82 HD22 LEU 82 47.566 68.992 27.372 679 HD23 LEU 82 HD23 LEU 82 49.040 69.056 28.366 680 H TYR 83 H TYR 83 51.364 65.224 27.831 681 HA TYR 83 HA TYR 83 53.712 66.718 27.326 682 HB2 TYR 83 HB2 TYR 83 53.178 64.278 29.046 683 HB3 TYR 83 HB3 TYR 83 54.634 65.247 29.064 684 HD1 TYR 83 HD1 TYR 83 51.404 67.221 28.966 685 HD2 TYR 83 HD2 TYR 83 54.157 65.099 31.508 686 HE1 TYR 83 HE1 TYR 83 50.710 68.605 30.882 687 HE2 TYR 83 HE2 TYR 83 53.443 66.527 33.443 688 HH TYR 83 HH TYR 83 51.002 68.993 33.154 689 H GLY 84 H GLY 84 53.108 63.164 26.815 690 HA2 GLY 84 HA2 GLY 84 54.344 62.841 24.399 691 HA3 GLY 84 HA3 GLY 84 55.730 62.872 25.484 692 H ARG 85 H ARG 85 54.480 61.437 27.664 693 HA ARG 85 HA ARG 85 54.528 58.631 26.586 694 HB2 ARG 85 HB2 ARG 85 55.282 59.727 29.328 695 HB3 ARG 85 HB3 ARG 85 55.020 58.041 28.974 696 HG2 ARG 85 HG2 ARG 85 57.241 58.056 28.583 697 HG3 ARG 85 HG3 ARG 85 56.700 58.468 26.961 698 HD2 ARG 85 HD2 ARG 85 57.156 60.845 27.406 699 HD3 ARG 85 HD3 ARG 85 57.621 60.464 29.078 700 HE ARG 85 HE ARG 85 59.132 58.809 27.277 701 HH11 ARG 85 HH11 ARG 85 59.111 62.098 28.552 702 HH12 ARG 85 HH12 ARG 85 60.812 62.258 28.125 703 HH21 ARG 85 HH21 ARG 85 61.277 58.872 27.677 704 HH22 ARG 85 HH22 ARG 85 61.987 60.473 27.812 705 HA PRO 86 HA PRO 86 50.132 58.885 27.446 706 HB2 PRO 86 HB2 PRO 86 49.408 56.450 26.526 707 HB3 PRO 86 HB3 PRO 86 49.730 57.859 25.485 708 HG2 PRO 86 HG2 PRO 86 51.625 55.571 26.228 709 HG3 PRO 86 HG3 PRO 86 51.340 56.256 24.589 710 HD2 PRO 86 HD2 PRO 86 53.468 56.900 26.223 711 HD3 PRO 86 HD3 PRO 86 52.766 58.083 25.105 712 H ILE 87 H ILE 87 48.945 58.389 29.121 713 HA ILE 87 HA ILE 87 50.074 56.862 31.282 714 HB ILE 87 HB ILE 87 47.583 58.447 30.715 715 HG12 ILE 87 HG12 ILE 87 49.631 59.547 31.504 716 HG13 ILE 87 HG13 ILE 87 48.228 59.848 32.519 717 HG21 ILE 87 HG21 ILE 87 46.448 56.639 31.932 718 HG22 ILE 87 HG22 ILE 87 47.741 56.595 33.133 719 HG23 ILE 87 HG23 ILE 87 46.643 57.984 33.045 720 HD11 ILE 87 HD11 ILE 87 50.584 58.118 33.214 721 HD12 ILE 87 HD12 ILE 87 49.973 59.585 34.010 722 HD13 ILE 87 HD13 ILE 87 49.031 58.105 34.122 723 H LYS 88 H LYS 88 49.992 54.820 31.783 724 HA LYS 88 HA LYS 88 48.056 53.026 30.428 725 HB2 LYS 88 HB2 LYS 88 50.338 52.633 29.700 726 HB3 LYS 88 HB3 LYS 88 50.885 52.504 31.369 727 HG2 LYS 88 HG2 LYS 88 50.607 50.276 30.285 728 HG3 LYS 88 HG3 LYS 88 49.673 50.508 31.771 729 HD2 LYS 88 HD2 LYS 88 47.656 51.018 30.200 730 HD3 LYS 88 HD3 LYS 88 48.714 50.445 28.911 731 HE2 LYS 88 HE2 LYS 88 48.789 48.204 29.952 732 HE3 LYS 88 HE3 LYS 88 48.037 48.831 31.443 733 HZ1 LYS 88 HZ1 LYS 88 46.439 47.677 30.089 734 HZ2 LYS 88 HZ2 LYS 88 46.060 49.261 30.171 735 HZ3 LYS 88 HZ3 LYS 88 46.747 48.604 28.824 736 H ILE 89 H ILE 89 46.461 52.581 31.744 737 HA ILE 89 HA ILE 89 46.769 52.301 34.657 738 HB ILE 89 HB ILE 89 44.324 51.993 32.873 739 HG12 ILE 89 HG12 ILE 89 43.843 54.227 34.350 740 HG13 ILE 89 HG13 ILE 89 45.601 54.366 34.179 741 HG21 ILE 89 HG21 ILE 89 44.604 52.004 35.901 742 HG22 ILE 89 HG22 ILE 89 43.046 52.089 35.015 743 HG23 ILE 89 HG23 ILE 89 44.060 50.664 34.897 744 HD11 ILE 89 HD11 ILE 89 43.587 53.947 31.945 745 HD12 ILE 89 HD12 ILE 89 44.247 55.521 32.437 746 HD13 ILE 89 HD13 ILE 89 45.316 54.296 31.707 747 H GLN 90 H GLN 90 46.662 50.474 35.864 748 HA GLN 90 HA GLN 90 46.341 47.808 34.648 749 HB2 GLN 90 HB2 GLN 90 48.746 49.037 36.019 750 HB3 GLN 90 HB3 GLN 90 48.452 47.329 36.303 751 HG2 GLN 90 HG2 GLN 90 48.829 48.601 33.598 752 HG3 GLN 90 HG3 GLN 90 50.056 47.752 34.545 753 HE21 GLN 90 HE22 GLN 90 49.614 46.813 32.051 754 HE22 GLN 90 HE21 GLN 90 48.798 45.261 32.044 755 H PHE 91 H PHE 91 46.619 46.190 36.546 756 HA PHE 91 HA PHE 91 45.949 47.245 39.176 757 HB2 PHE 91 HB2 PHE 91 43.724 46.725 38.050 758 HB3 PHE 91 HB3 PHE 91 44.234 45.037 38.044 759 HD1 PHE 91 HD2 PHE 91 44.088 47.925 40.529 760 HD2 PHE 91 HD1 PHE 91 43.473 43.704 39.827 761 HE1 PHE 91 HE2 PHE 91 43.030 47.695 42.756 762 HE2 PHE 91 HE1 PHE 91 42.601 43.461 42.110 763 HZ PHE 91 HZ PHE 91 42.300 45.488 43.564 764 H ARG 92 H ARG 92 46.379 45.719 40.831 765 HA ARG 92 HA ARG 92 47.091 42.964 40.184 766 HB2 ARG 92 HB2 ARG 92 48.948 44.736 41.817 767 HB3 ARG 92 HB3 ARG 92 48.915 42.997 41.980 768 HG2 ARG 92 HG2 ARG 92 49.584 44.487 39.407 769 HG3 ARG 92 HG3 ARG 92 50.744 43.849 40.571 770 HD2 ARG 92 HD2 ARG 92 50.862 42.315 38.954 771 HD3 ARG 92 HD3 ARG 92 49.822 41.537 40.146 772 HE ARG 92 HE ARG 92 48.415 42.952 37.953 773 HH11 ARG 92 HH11 ARG 92 49.865 39.902 38.964 774 HH12 ARG 92 HH12 ARG 92 48.955 38.984 37.796 775 HH21 ARG 92 HH21 ARG 92 47.524 41.612 36.279 776 HH22 ARG 92 HH22 ARG 92 48.075 39.960 36.105 777 H SER 93 H SER 93 46.546 41.576 41.752 778 HA SER 93 HA SER 93 44.768 42.578 43.948 779 HB2 SER 93 HB2 SER 93 45.006 39.682 43.089 780 HB3 SER 93 HB3 SER 93 43.736 40.439 44.055 781 HG SER 93 HG SER 93 44.130 40.859 41.348 782 H GLY 94 H GLY 94 44.852 41.708 45.994 783 HA2 GLY 94 HA2 GLY 94 47.398 40.598 46.911 784 HA3 GLY 94 HA3 GLY 94 46.004 41.056 47.898 785 H SER 95 H SER 95 46.933 39.057 48.875 786 HA SER 95 HA SER 95 46.648 36.471 47.746 787 HB2 SER 95 HB2 SER 95 46.847 37.326 50.677 788 HB3 SER 95 HB3 SER 95 47.279 35.746 50.015 789 HG SER 95 HG SER 95 48.971 36.644 49.037 790 H SER 96 H SER 96 45.308 34.753 48.470 791 HA SER 96 HA SER 96 42.660 35.297 49.630 792 HB2 SER 96 HB2 SER 96 42.595 35.537 46.998 793 HB3 SER 96 HB3 SER 96 42.834 33.791 47.002 794 HG SER 96 HG SER 96 40.912 33.540 47.752 795 H HIS 97 H HIS 97 41.834 33.368 50.546 796 HA HIS 97 HA HIS 97 42.062 31.611 51.926 797 HB2 HIS 97 HB2 HIS 97 43.456 30.240 49.597 798 HB3 HIS 97 HB3 HIS 97 42.938 29.473 51.106 799 HD2 HIS 97 HD2 HIS 97 40.072 31.277 51.021 800 HE1 HIS 97 HE1 HIS 97 39.204 28.383 48.036 801 HE2 HIS 97 HE2 HIS 97 38.220 30.065 49.665 802 H ALA 98 H ALA 98 43.769 33.567 52.592 803 HA ALA 98 HA ALA 98 46.359 32.351 53.257 804 HB1 ALA 98 HB1 ALA 98 45.145 35.067 53.838 805 HB2 ALA 98 HB2 ALA 98 46.753 34.517 54.368 806 HB3 ALA 98 HB3 ALA 98 46.388 34.659 52.629 807 HA PRO 99 HA PRO 99 44.998 31.304 57.480 808 HB2 PRO 99 HB2 PRO 99 47.349 31.556 58.891 809 HB3 PRO 99 HB3 PRO 99 46.930 30.177 57.825 810 HG2 PRO 99 HG2 PRO 99 48.754 32.498 57.327 811 HG3 PRO 99 HG3 PRO 99 48.820 30.787 56.755 812 HD2 PRO 99 HD2 PRO 99 47.932 33.073 55.333 813 HD3 PRO 99 HD3 PRO 99 47.619 31.376 54.862 814 H GLN 100 H GLN 100 44.094 32.337 59.210 815 HA GLN 100 HA GLN 100 44.476 35.178 59.590 816 HB2 GLN 100 HB2 GLN 100 43.018 33.195 61.368 817 HB3 GLN 100 HB3 GLN 100 42.955 34.959 61.460 818 HG2 GLN 100 HG2 GLN 100 41.946 35.019 59.167 819 HG3 GLN 100 HG3 GLN 100 41.825 33.276 59.181 820 HE21 GLN 100 HE22 GLN 100 39.374 34.566 58.970 821 HE22 GLN 100 HE21 GLN 100 38.482 34.457 60.468 822 H ASP 101 H ASP 101 45.757 32.349 61.239 823 HA ASP 101 HA ASP 101 47.826 33.877 62.729 824 HB2 ASP 101 HB2 ASP 101 45.870 33.482 64.178 825 HB3 ASP 101 HB3 ASP 101 46.015 31.757 63.895 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 32.253 16.939 51.286 2 H2 GLY 1 H2 GLY 1 33.778 16.918 50.673 3 H3 GLY 1 H3 GLY 1 32.885 15.524 50.773 4 HA2 GLY 1 HA2 GLY 1 31.328 16.205 49.188 5 HA3 GLY 1 HA3 GLY 1 32.063 17.804 49.125 6 H SER 2 H SER 2 32.336 17.237 46.739 7 HA SER 2 HA SER 2 34.712 15.614 46.214 8 HB2 SER 2 HB2 SER 2 33.088 17.318 44.279 9 HB3 SER 2 HB3 SER 2 34.312 16.064 43.909 10 HG SER 2 HG SER 2 33.009 14.590 44.799 11 H GLU 3 H GLU 3 34.437 19.089 46.832 12 HA GLU 3 HA GLU 3 37.187 19.436 45.702 13 HB2 GLU 3 HB2 GLU 3 34.952 21.411 46.309 14 HB3 GLU 3 HB3 GLU 3 36.617 21.875 46.047 15 HG2 GLU 3 HG2 GLU 3 35.835 22.270 43.989 16 HG3 GLU 3 HG3 GLU 3 36.468 20.672 43.748 17 H PHE 4 H PHE 4 38.784 20.344 46.925 18 HA PHE 4 HA PHE 4 38.373 20.659 49.821 19 HB2 PHE 4 HB2 PHE 4 39.176 18.338 49.430 20 HB3 PHE 4 HB3 PHE 4 40.601 18.951 48.612 21 HD1 PHE 4 HD2 PHE 4 38.726 19.151 51.850 22 HD2 PHE 4 HD1 PHE 4 42.598 19.188 49.928 23 HE1 PHE 4 HE2 PHE 4 39.822 18.786 54.030 24 HE2 PHE 4 HE1 PHE 4 43.680 18.903 52.120 25 HZ PHE 4 HZ PHE 4 42.303 18.577 54.161 26 H GLU 5 H GLU 5 40.679 21.124 47.051 27 HA GLU 5 HA GLU 5 42.176 23.163 48.592 28 HB2 GLU 5 HB2 GLU 5 44.035 22.393 47.558 29 HB3 GLU 5 HB3 GLU 5 43.051 20.933 47.599 30 HG2 GLU 5 HG2 GLU 5 42.272 21.722 45.222 31 HG3 GLU 5 HG3 GLU 5 43.716 22.719 45.307 32 H LEU 6 H LEU 6 39.748 23.249 46.350 33 HA LEU 6 HA LEU 6 40.567 25.500 44.653 34 HB2 LEU 6 HB2 LEU 6 37.857 24.198 45.112 35 HB3 LEU 6 HB3 LEU 6 38.151 25.548 44.076 36 HG LEU 6 HG LEU 6 38.018 23.678 42.720 37 HD11 LEU 6 HD11 LEU 6 41.020 24.063 42.813 38 HD12 LEU 6 HD12 LEU 6 39.984 23.585 41.455 39 HD13 LEU 6 HD13 LEU 6 39.879 25.230 42.083 40 HD21 LEU 6 HD21 LEU 6 39.192 21.603 42.953 41 HD22 LEU 6 HD22 LEU 6 40.278 22.253 44.192 42 HD23 LEU 6 HD23 LEU 6 38.567 21.991 44.568 43 H ARG 7 H ARG 7 40.404 27.561 45.217 44 HA ARG 7 HA ARG 7 39.480 28.542 47.803 45 HB2 ARG 7 HB2 ARG 7 40.176 29.920 45.169 46 HB3 ARG 7 HB3 ARG 7 39.789 30.764 46.654 47 HG2 ARG 7 HG2 ARG 7 42.074 30.747 46.971 48 HG3 ARG 7 HG3 ARG 7 41.756 29.157 47.626 49 HD2 ARG 7 HD2 ARG 7 43.582 28.864 46.223 50 HD3 ARG 7 HD3 ARG 7 42.227 28.211 45.293 51 HE ARG 7 HE ARG 7 42.657 30.989 44.601 52 HH11 ARG 7 HH11 ARG 7 44.499 27.931 44.271 53 HH12 ARG 7 HH12 ARG 7 45.265 28.526 42.835 54 HH21 ARG 7 HH21 ARG 7 43.497 31.358 42.549 55 HH22 ARG 7 HH22 ARG 7 44.733 30.293 41.921 56 H ARG 8 H ARG 8 37.621 29.637 48.254 57 HA ARG 8 HA ARG 8 35.261 28.511 47.145 58 HB2 ARG 8 HB2 ARG 8 35.553 29.175 49.480 59 HB3 ARG 8 HB3 ARG 8 35.738 30.845 49.025 60 HG2 ARG 8 HG2 ARG 8 33.580 30.136 50.107 61 HG3 ARG 8 HG3 ARG 8 33.489 31.211 48.707 62 HD2 ARG 8 HD2 ARG 8 31.665 29.654 48.793 63 HD3 ARG 8 HD3 ARG 8 32.608 29.337 47.346 64 HE ARG 8 HE ARG 8 33.493 27.685 49.584 65 HH11 ARG 8 HH11 ARG 8 30.509 28.004 47.698 66 HH12 ARG 8 HH12 ARG 8 30.265 26.275 47.794 67 HH21 ARG 8 HH21 ARG 8 33.252 25.496 49.105 68 HH22 ARG 8 HH22 ARG 8 31.699 24.930 48.663 69 H GLN 9 H GLN 9 36.816 31.537 46.273 70 HA GLN 9 HA GLN 9 34.786 31.921 44.172 71 HB2 GLN 9 HB2 GLN 9 35.786 34.150 45.986 72 HB3 GLN 9 HB3 GLN 9 34.772 34.333 44.554 73 HG2 GLN 9 HG2 GLN 9 33.901 32.805 47.036 74 HG3 GLN 9 HG3 GLN 9 33.625 34.509 46.719 75 HE21 GLN 9 HE22 GLN 9 31.322 33.520 47.031 76 HE22 GLN 9 HE21 GLN 9 30.490 33.087 45.552 77 H GLN 10 H GLN 10 35.478 33.474 42.549 78 HA GLN 10 HA GLN 10 37.578 32.178 41.298 79 HB2 GLN 10 HB2 GLN 10 36.444 34.885 40.479 80 HB3 GLN 10 HB3 GLN 10 37.357 33.778 39.458 81 HG2 GLN 10 HG2 GLN 10 35.578 32.181 39.433 82 HG3 GLN 10 HG3 GLN 10 34.774 32.947 40.812 83 HE21 GLN 10 HE22 GLN 10 32.768 33.244 39.635 84 HE22 GLN 10 HE21 GLN 10 32.665 34.439 38.341 85 H ALA 11 H ALA 11 37.728 35.677 42.118 86 HA ALA 11 HA ALA 11 40.427 35.391 43.137 87 HB1 ALA 11 HB1 ALA 11 39.737 37.087 40.691 88 HB2 ALA 11 HB2 ALA 11 41.269 37.207 41.615 89 HB3 ALA 11 HB3 ALA 11 40.835 35.717 40.763 90 H LEU 12 H LEU 12 41.021 37.664 44.088 91 HA LEU 12 HA LEU 12 39.164 38.404 46.114 92 HB2 LEU 12 HB2 LEU 12 41.491 40.007 45.094 93 HB3 LEU 12 HB3 LEU 12 40.772 40.130 46.671 94 HG LEU 12 HG LEU 12 42.159 37.569 45.708 95 HD11 LEU 12 HD11 LEU 12 43.665 39.617 45.827 96 HD12 LEU 12 HD12 LEU 12 43.390 39.590 47.590 97 HD13 LEU 12 HD13 LEU 12 44.129 38.201 46.780 98 HD21 LEU 12 HD21 LEU 12 40.850 36.896 47.540 99 HD22 LEU 12 HD22 LEU 12 42.407 37.258 48.256 100 HD23 LEU 12 HD23 LEU 12 41.097 38.441 48.404 101 H ALA 13 H ALA 13 37.582 39.984 46.319 102 HA ALA 13 HA ALA 13 37.273 42.013 44.154 103 HB1 ALA 13 HB1 ALA 13 34.878 40.528 45.245 104 HB2 ALA 13 HB2 ALA 13 35.039 41.534 43.789 105 HB3 ALA 13 HB3 ALA 13 35.811 39.949 43.844 106 H GLU 14 H GLU 14 37.988 41.835 47.190 107 HA GLU 14 HA GLU 14 36.765 44.441 47.917 108 HB2 GLU 14 HB2 GLU 14 36.230 43.518 50.178 109 HB3 GLU 14 HB3 GLU 14 35.297 42.812 48.878 110 HG2 GLU 14 HG2 GLU 14 37.811 41.546 50.104 111 HG3 GLU 14 HG3 GLU 14 36.199 41.218 50.697 112 H ALA 15 H ALA 15 39.637 43.057 47.447 113 HA ALA 15 HA ALA 15 40.869 43.519 50.065 114 HB1 ALA 15 HB1 ALA 15 41.234 41.415 48.809 115 HB2 ALA 15 HB2 ALA 15 41.950 42.322 47.459 116 HB3 ALA 15 HB3 ALA 15 42.760 42.326 49.034 117 H ASP 16 H ASP 16 40.593 45.081 47.064 118 HA ASP 16 HA ASP 16 42.837 46.941 47.653 119 HB2 ASP 16 HB2 ASP 16 43.102 47.336 45.310 120 HB3 ASP 16 HB3 ASP 16 43.184 45.612 45.653 121 H ARG 17 H ARG 17 42.620 49.045 47.164 122 HA ARG 17 HA ARG 17 39.982 50.218 46.656 123 HB2 ARG 17 HB2 ARG 17 41.698 50.895 49.114 124 HB3 ARG 17 HB3 ARG 17 40.403 51.925 48.558 125 HG2 ARG 17 HG2 ARG 17 38.822 49.878 48.853 126 HG3 ARG 17 HG3 ARG 17 40.233 49.033 49.516 127 HD2 ARG 17 HD2 ARG 17 40.297 50.743 51.356 128 HD3 ARG 17 HD3 ARG 17 38.781 51.407 50.704 129 HE ARG 17 HE ARG 17 37.579 49.634 51.596 130 HH11 ARG 17 HH11 ARG 17 41.029 48.695 51.851 131 HH12 ARG 17 HH12 ARG 17 40.576 47.121 52.388 132 HH21 ARG 17 HH21 ARG 17 37.243 47.751 52.503 133 HH22 ARG 17 HH22 ARG 17 38.618 46.710 52.927 134 H THR 18 H THR 18 43.031 49.973 45.915 135 HA THR 18 HA THR 18 43.240 52.639 44.637 136 HB THR 18 HB THR 18 45.721 51.236 45.692 137 HG1 THR 18 HG1 THR 18 45.595 52.540 47.469 138 HG21 THR 18 HG21 THR 18 44.979 54.154 45.331 139 HG22 THR 18 HG22 THR 18 46.554 53.541 45.873 140 HG23 THR 18 HG23 THR 18 46.004 53.190 44.223 141 H LEU 19 H LEU 19 44.055 52.782 42.754 142 HA LEU 19 HA LEU 19 44.310 50.319 41.231 143 HB2 LEU 19 HB2 LEU 19 42.481 52.129 40.961 144 HB3 LEU 19 HB3 LEU 19 43.764 53.218 40.435 145 HG LEU 19 HG LEU 19 44.241 51.850 38.511 146 HD11 LEU 19 HD11 LEU 19 43.642 49.584 39.503 147 HD12 LEU 19 HD12 LEU 19 41.938 50.034 39.423 148 HD13 LEU 19 HD13 LEU 19 42.910 49.869 37.936 149 HD21 LEU 19 HD21 LEU 19 42.100 52.293 37.367 150 HD22 LEU 19 HD22 LEU 19 41.275 52.379 38.967 151 HD23 LEU 19 HD23 LEU 19 42.457 53.606 38.518 152 H PHE 20 H PHE 20 46.038 49.859 39.819 153 HA PHE 20 HA PHE 20 48.441 51.505 40.229 154 HB2 PHE 20 HB2 PHE 20 48.546 48.986 40.263 155 HB3 PHE 20 HB3 PHE 20 48.143 49.002 38.548 156 HD1 PHE 20 HD1 PHE 20 49.797 50.121 36.898 157 HD2 PHE 20 HD2 PHE 20 50.725 49.456 41.065 158 HE1 PHE 20 HE1 PHE 20 52.178 50.373 36.403 159 HE2 PHE 20 HE2 PHE 20 53.129 49.795 40.569 160 HZ PHE 20 HZ PHE 20 53.867 50.285 38.246 161 H VAL 21 H VAL 21 49.269 52.921 38.840 162 HA VAL 21 HA VAL 21 48.470 52.815 35.986 163 HB VAL 21 HB VAL 21 48.974 55.446 37.430 164 HG11 VAL 21 HG11 VAL 21 47.774 54.829 34.684 165 HG12 VAL 21 HG12 VAL 21 47.961 56.430 35.404 166 HG13 VAL 21 HG13 VAL 21 49.389 55.477 34.961 167 HG21 VAL 21 HG21 VAL 21 46.254 54.475 36.500 168 HG22 VAL 21 HG22 VAL 21 46.744 54.393 38.200 169 HG23 VAL 21 HG23 VAL 21 46.663 55.958 37.426 170 H GLY 22 H GLY 22 50.128 52.614 34.753 171 HA2 GLY 22 HA2 GLY 22 52.831 53.582 35.602 172 HA3 GLY 22 HA3 GLY 22 52.644 52.059 34.770 173 H ASN 23 H ASN 23 54.234 53.369 33.485 174 HA ASN 23 HA ASN 23 54.896 54.399 31.634 175 HB2 ASN 23 HB2 ASN 23 52.713 52.967 30.893 176 HB3 ASN 23 HB3 ASN 23 52.120 54.601 30.550 177 HD21 ASN 23 HD21 ASN 23 52.190 54.704 28.401 178 HD22 ASN 23 HD22 ASN 23 53.552 54.230 27.390 179 H LEU 24 H LEU 24 54.068 55.960 33.896 180 HA LEU 24 HA LEU 24 52.910 58.480 33.207 181 HB2 LEU 24 HB2 LEU 24 54.949 57.714 35.348 182 HB3 LEU 24 HB3 LEU 24 54.191 59.256 35.171 183 HG LEU 24 HG LEU 24 53.341 57.350 36.867 184 HD11 LEU 24 HD11 LEU 24 51.668 59.286 35.331 185 HD12 LEU 24 HD12 LEU 24 51.084 58.397 36.782 186 HD13 LEU 24 HD13 LEU 24 52.434 59.497 36.953 187 HD21 LEU 24 HD21 LEU 24 52.559 55.652 35.219 188 HD22 LEU 24 HD22 LEU 24 51.172 56.338 36.078 189 HD23 LEU 24 HD23 LEU 24 51.520 56.854 34.434 190 H GLU 25 H GLU 25 54.185 60.556 33.143 191 HA GLU 25 HA GLU 25 56.480 60.227 31.367 192 HB2 GLU 25 HB2 GLU 25 54.542 62.243 31.698 193 HB3 GLU 25 HB3 GLU 25 56.021 63.047 32.184 194 HG2 GLU 25 HG2 GLU 25 55.943 61.481 29.615 195 HG3 GLU 25 HG3 GLU 25 55.146 63.051 29.705 196 H THR 26 H THR 26 58.205 62.009 31.585 197 HA THR 26 HA THR 26 59.956 61.213 33.780 198 HB THR 26 HB THR 26 61.686 62.406 32.655 199 HG1 THR 26 HG1 THR 26 59.708 63.513 31.081 200 HG21 THR 26 HG21 THR 26 60.239 61.558 30.126 201 HG22 THR 26 HG22 THR 26 61.923 61.396 30.628 202 HG23 THR 26 HG23 THR 26 60.687 60.307 31.298 203 H LYS 27 H LYS 27 57.888 63.889 32.947 204 HA LYS 27 HA LYS 27 58.454 65.206 35.569 205 HB2 LYS 27 HB2 LYS 27 59.210 66.316 33.365 206 HB3 LYS 27 HB3 LYS 27 57.509 66.587 33.049 207 HG2 LYS 27 HG2 LYS 27 58.057 68.574 33.992 208 HG3 LYS 27 HG3 LYS 27 57.547 67.727 35.455 209 HD2 LYS 27 HD2 LYS 27 60.346 68.466 34.575 210 HD3 LYS 27 HD3 LYS 27 59.461 68.908 36.036 211 HE2 LYS 27 HE2 LYS 27 59.593 66.506 36.760 212 HE3 LYS 27 HE3 LYS 27 60.628 66.202 35.356 213 HZ1 LYS 27 HZ1 LYS 27 62.243 67.687 36.212 214 HZ2 LYS 27 HZ2 LYS 27 61.272 68.352 37.292 215 HZ3 LYS 27 HZ3 LYS 27 61.835 66.805 37.468 216 H VAL 28 H VAL 28 56.269 63.099 35.187 217 HA VAL 28 HA VAL 28 53.764 64.514 35.297 218 HB VAL 28 HB VAL 28 54.162 62.041 34.759 219 HG11 VAL 28 HG11 VAL 28 54.171 60.500 36.828 220 HG12 VAL 28 HG12 VAL 28 55.651 61.435 36.528 221 HG13 VAL 28 HG13 VAL 28 54.516 61.924 37.790 222 HG21 VAL 28 HG21 VAL 28 51.889 63.163 35.419 223 HG22 VAL 28 HG22 VAL 28 52.021 61.406 35.316 224 HG23 VAL 28 HG23 VAL 28 52.049 62.202 36.901 225 H THR 29 H THR 29 52.184 64.335 37.157 226 HA THR 29 HA THR 29 53.266 64.361 39.853 227 HB THR 29 HB THR 29 52.070 66.657 40.248 228 HG1 THR 29 HG1 THR 29 52.360 67.884 38.334 229 HG21 THR 29 HG21 THR 29 54.624 66.886 38.597 230 HG22 THR 29 HG22 THR 29 54.041 67.940 39.889 231 HG23 THR 29 HG23 THR 29 54.600 66.298 40.275 232 H GLU 30 H GLU 30 51.425 65.069 41.412 233 HA GLU 30 HA GLU 30 49.239 63.233 40.897 234 HB2 GLU 30 HB2 GLU 30 49.457 65.165 43.273 235 HB3 GLU 30 HB3 GLU 30 48.449 63.731 43.141 236 HG2 GLU 30 HG2 GLU 30 50.467 62.332 42.935 237 HG3 GLU 30 HG3 GLU 30 51.472 63.774 43.190 238 H GLU 31 H GLU 31 49.759 66.679 40.699 239 HA GLU 31 HA GLU 31 47.013 67.495 40.457 240 HB2 GLU 31 HB2 GLU 31 49.404 68.659 38.973 241 HB3 GLU 31 HB3 GLU 31 47.831 69.415 39.261 242 HG2 GLU 31 HG2 GLU 31 48.335 69.359 41.734 243 HG3 GLU 31 HG3 GLU 31 49.927 68.725 41.344 244 H LEU 32 H LEU 32 49.419 66.282 38.067 245 HA LEU 32 HA LEU 32 47.806 66.777 35.787 246 HB2 LEU 32 HB2 LEU 32 50.225 66.609 35.774 247 HB3 LEU 32 HB3 LEU 32 50.201 64.981 36.375 248 HG LEU 32 HG LEU 32 50.831 65.255 34.030 249 HD11 LEU 32 HD11 LEU 32 48.323 63.542 33.990 250 HD12 LEU 32 HD12 LEU 32 49.842 63.307 33.135 251 HD13 LEU 32 HD13 LEU 32 49.780 63.055 34.881 252 HD21 LEU 32 HD21 LEU 32 49.375 67.072 33.400 253 HD22 LEU 32 HD22 LEU 32 49.251 65.721 32.256 254 HD23 LEU 32 HD23 LEU 32 47.950 66.016 33.419 255 H LEU 33 H LEU 33 48.431 63.827 37.677 256 HA LEU 33 HA LEU 33 46.682 62.003 36.368 257 HB2 LEU 33 HB2 LEU 33 47.501 62.385 39.246 258 HB3 LEU 33 HB3 LEU 33 46.762 60.891 38.627 259 HG LEU 33 HG LEU 33 49.463 62.070 37.756 260 HD11 LEU 33 HD11 LEU 33 49.026 59.534 39.343 261 HD12 LEU 33 HD12 LEU 33 50.539 60.155 38.630 262 HD13 LEU 33 HD13 LEU 33 49.768 61.062 39.927 263 HD21 LEU 33 HD21 LEU 33 49.861 60.124 36.485 264 HD22 LEU 33 HD22 LEU 33 48.222 59.484 36.840 265 HD23 LEU 33 HD23 LEU 33 48.476 60.992 35.887 266 H PHE 34 H PHE 34 45.976 64.241 39.191 267 HA PHE 34 HA PHE 34 43.326 63.393 39.450 268 HB2 PHE 34 HB2 PHE 34 44.638 64.909 41.036 269 HB3 PHE 34 HB3 PHE 34 44.363 66.209 39.892 270 HD1 PHE 34 HD1 PHE 34 42.146 67.108 39.439 271 HD2 PHE 34 HD2 PHE 34 42.748 64.238 42.574 272 HE1 PHE 34 HE1 PHE 34 39.978 67.801 40.487 273 HE2 PHE 34 HE2 PHE 34 40.478 64.796 43.497 274 HZ PHE 34 HZ PHE 34 39.158 66.618 42.511 275 H GLU 35 H GLU 35 44.683 65.824 37.179 276 HA GLU 35 HA GLU 35 41.986 66.646 36.348 277 HB2 GLU 35 HB2 GLU 35 42.920 68.201 34.830 278 HB3 GLU 35 HB3 GLU 35 43.798 68.356 36.339 279 HG2 GLU 35 HG2 GLU 35 45.762 67.539 35.455 280 HG3 GLU 35 HG3 GLU 35 44.951 66.763 34.069 281 H LEU 36 H LEU 36 44.400 64.379 35.239 282 HA LEU 36 HA LEU 36 43.186 63.674 32.762 283 HB2 LEU 36 HB2 LEU 36 45.551 63.206 33.369 284 HB3 LEU 36 HB3 LEU 36 45.048 62.173 34.681 285 HG LEU 36 HG LEU 36 43.854 61.256 32.128 286 HD11 LEU 36 HD11 LEU 36 46.861 61.304 32.502 287 HD12 LEU 36 HD12 LEU 36 45.974 60.238 31.366 288 HD13 LEU 36 HD13 LEU 36 45.951 62.000 31.130 289 HD21 LEU 36 HD21 LEU 36 44.782 59.122 32.903 290 HD22 LEU 36 HD22 LEU 36 45.692 59.959 34.181 291 HD23 LEU 36 HD23 LEU 36 43.910 59.931 34.217 292 H PHE 37 H PHE 37 42.810 62.350 36.049 293 HA PHE 37 HA PHE 37 40.885 60.301 35.158 294 HB2 PHE 37 HB2 PHE 37 41.984 60.991 37.877 295 HB3 PHE 37 HB3 PHE 37 40.861 59.678 37.503 296 HD1 PHE 37 HD2 PHE 37 41.525 58.183 35.451 297 HD2 PHE 37 HD1 PHE 37 44.296 60.294 37.958 298 HE1 PHE 37 HE2 PHE 37 43.344 56.490 34.918 299 HE2 PHE 37 HE1 PHE 37 46.139 58.841 37.164 300 HZ PHE 37 HZ PHE 37 45.620 56.881 35.686 301 H HIS 38 H HIS 38 40.388 63.596 35.527 302 HA HIS 38 HA HIS 38 38.205 63.620 37.378 303 HB2 HIS 38 HB2 HIS 38 39.634 65.543 36.312 304 HB3 HIS 38 HB3 HIS 38 38.385 65.567 35.072 305 HD2 HIS 38 HD2 HIS 38 35.732 66.023 36.291 306 HE1 HIS 38 HE1 HIS 38 37.523 68.560 39.193 307 HE2 HIS 38 HE2 HIS 38 35.318 67.791 38.177 308 H GLN 39 H GLN 39 38.188 63.225 33.805 309 HA GLN 39 HA GLN 39 35.407 62.682 33.663 310 HB2 GLN 39 HB2 GLN 39 37.744 62.085 31.836 311 HB3 GLN 39 HB3 GLN 39 36.085 61.736 31.376 312 HG2 GLN 39 HG2 GLN 39 35.397 63.986 31.444 313 HG3 GLN 39 HG3 GLN 39 36.856 64.530 32.267 314 HE21 GLN 39 HE22 GLN 39 38.980 64.277 30.990 315 HE22 GLN 39 HE21 GLN 39 38.851 64.570 29.266 316 H ALA 40 H ALA 40 37.888 60.556 34.873 317 HA ALA 40 HA ALA 40 36.790 58.058 33.744 318 HB1 ALA 40 HB1 ALA 40 39.198 58.321 34.121 319 HB2 ALA 40 HB2 ALA 40 38.894 58.566 35.873 320 HB3 ALA 40 HB3 ALA 40 38.551 57.006 35.108 321 H GLY 41 H GLY 41 36.431 60.109 36.395 322 HA2 GLY 41 HA2 GLY 41 34.033 59.618 37.420 323 HA3 GLY 41 HA3 GLY 41 34.933 58.328 38.226 324 HA PRO 42 HA PRO 42 35.441 62.140 40.899 325 HB2 PRO 42 HB2 PRO 42 33.902 61.570 42.966 326 HB3 PRO 42 HB3 PRO 42 33.219 62.168 41.424 327 HG2 PRO 42 HG2 PRO 42 33.257 59.320 42.442 328 HG3 PRO 42 HG3 PRO 42 31.932 60.161 41.595 329 HD2 PRO 42 HD2 PRO 42 33.788 58.494 40.393 330 HD3 PRO 42 HD3 PRO 42 32.824 59.746 39.537 331 H VAL 43 H VAL 43 37.607 60.967 40.713 332 HA VAL 43 HA VAL 43 38.556 59.026 42.497 333 HB VAL 43 HB VAL 43 40.784 60.077 42.318 334 HG11 VAL 43 HG11 VAL 43 39.288 59.628 39.715 335 HG12 VAL 43 HG12 VAL 43 41.042 59.875 39.861 336 HG13 VAL 43 HG13 VAL 43 40.290 58.487 40.649 337 HG21 VAL 43 HG21 VAL 43 39.459 62.207 40.630 338 HG22 VAL 43 HG22 VAL 43 40.207 62.428 42.240 339 HG23 VAL 43 HG23 VAL 43 41.202 61.952 40.864 340 H ILE 44 H ILE 44 39.394 58.895 44.449 341 HA ILE 44 HA ILE 44 38.419 60.674 46.561 342 HB ILE 44 HB ILE 44 40.091 58.138 46.662 343 HG12 ILE 44 HG12 ILE 44 37.113 58.664 47.059 344 HG13 ILE 44 HG13 ILE 44 37.827 57.942 45.612 345 HG21 ILE 44 HG21 ILE 44 38.692 59.579 48.967 346 HG22 ILE 44 HG22 ILE 44 39.532 58.018 49.032 347 HG23 ILE 44 HG23 ILE 44 40.439 59.486 48.692 348 HD11 ILE 44 HD11 ILE 44 37.600 56.646 48.305 349 HD12 ILE 44 HD12 ILE 44 36.781 56.281 46.760 350 HD13 ILE 44 HD13 ILE 44 38.511 55.965 46.914 351 H LYS 45 H LYS 45 41.556 59.307 45.628 352 HA LYS 45 HA LYS 45 42.898 61.867 45.756 353 HB2 LYS 45 HB2 LYS 45 44.453 61.462 47.389 354 HB3 LYS 45 HB3 LYS 45 42.902 61.132 48.133 355 HG2 LYS 45 HG2 LYS 45 44.297 58.706 47.070 356 HG3 LYS 45 HG3 LYS 45 45.249 59.596 48.210 357 HD2 LYS 45 HD2 LYS 45 42.503 58.412 48.817 358 HD3 LYS 45 HD3 LYS 45 44.050 57.825 49.381 359 HE2 LYS 45 HE2 LYS 45 43.091 60.622 50.042 360 HE3 LYS 45 HE3 LYS 45 42.637 59.226 50.999 361 HZ1 LYS 45 HZ1 LYS 45 44.603 60.320 51.866 362 HZ2 LYS 45 HZ2 LYS 45 44.943 58.803 51.472 363 HZ3 LYS 45 HZ3 LYS 45 45.461 60.032 50.519 364 H VAL 46 H VAL 46 45.126 61.775 45.123 365 HA VAL 46 HA VAL 46 45.932 59.441 43.449 366 HB VAL 46 HB VAL 46 46.514 62.427 43.301 367 HG11 VAL 46 HG11 VAL 46 47.702 61.828 41.140 368 HG12 VAL 46 HG12 VAL 46 48.502 61.266 42.598 369 HG13 VAL 46 HG13 VAL 46 47.541 60.116 41.619 370 HG21 VAL 46 HG21 VAL 46 44.326 62.033 42.472 371 HG22 VAL 46 HG22 VAL 46 45.412 62.275 41.106 372 HG23 VAL 46 HG23 VAL 46 44.836 60.625 41.534 373 H LYS 47 H LYS 47 48.199 58.801 43.445 374 HA LYS 47 HA LYS 47 50.024 60.031 45.416 375 HB2 LYS 47 HB2 LYS 47 49.466 58.151 46.628 376 HB3 LYS 47 HB3 LYS 47 49.240 57.134 45.216 377 HG2 LYS 47 HG2 LYS 47 51.158 56.263 46.209 378 HG3 LYS 47 HG3 LYS 47 51.777 57.157 44.851 379 HD2 LYS 47 HD2 LYS 47 52.340 59.085 46.402 380 HD3 LYS 47 HD3 LYS 47 51.770 58.096 47.731 381 HE2 LYS 47 HE2 LYS 47 53.472 56.273 46.690 382 HE3 LYS 47 HE3 LYS 47 54.167 57.606 45.853 383 HZ1 LYS 47 HZ1 LYS 47 55.211 57.101 47.983 384 HZ2 LYS 47 HZ2 LYS 47 54.656 58.659 47.965 385 HZ3 LYS 47 HZ3 LYS 47 53.845 57.494 48.778 386 H ILE 48 H ILE 48 51.722 60.727 44.549 387 HA ILE 48 HA ILE 48 52.971 59.473 42.175 388 HB ILE 48 HB ILE 48 53.017 62.210 43.344 389 HG12 ILE 48 HG12 ILE 48 51.595 61.339 41.418 390 HG13 ILE 48 HG13 ILE 48 52.530 62.824 41.135 391 HG21 ILE 48 HG21 ILE 48 55.312 61.156 41.697 392 HG22 ILE 48 HG22 ILE 48 54.946 62.878 42.011 393 HG23 ILE 48 HG23 ILE 48 55.381 61.803 43.346 394 HD11 ILE 48 HD11 ILE 48 53.090 60.013 40.067 395 HD12 ILE 48 HD12 ILE 48 52.611 61.441 39.137 396 HD13 ILE 48 HD13 ILE 48 54.216 61.375 39.866 397 HA PRO 49 HA PRO 49 56.192 58.009 45.112 398 HB2 PRO 49 HB2 PRO 49 57.620 56.670 43.206 399 HB3 PRO 49 HB3 PRO 49 56.241 55.935 44.064 400 HG2 PRO 49 HG2 PRO 49 56.343 57.218 41.334 401 HG3 PRO 49 HG3 PRO 49 55.417 55.743 41.832 402 HD2 PRO 49 HD2 PRO 49 54.341 58.222 41.468 403 HD3 PRO 49 HD3 PRO 49 53.649 57.094 42.649 404 H LYS 50 H LYS 50 58.602 58.320 44.950 405 HA LYS 50 HA LYS 50 59.839 59.864 42.883 406 HB2 LYS 50 HB2 LYS 50 59.105 61.233 45.465 407 HB3 LYS 50 HB3 LYS 50 60.640 61.624 44.689 408 HG2 LYS 50 HG2 LYS 50 58.954 61.772 42.521 409 HG3 LYS 50 HG3 LYS 50 57.854 62.200 43.833 410 HD2 LYS 50 HD2 LYS 50 59.387 64.002 44.541 411 HD3 LYS 50 HD3 LYS 50 60.486 63.614 43.174 412 HE2 LYS 50 HE2 LYS 50 58.861 64.067 41.567 413 HE3 LYS 50 HE3 LYS 50 57.580 64.166 42.747 414 HZ1 LYS 50 HZ1 LYS 50 59.804 66.144 42.457 415 HZ2 LYS 50 HZ2 LYS 50 58.251 66.453 42.169 416 HZ3 LYS 50 HZ3 LYS 50 58.754 66.181 43.685 417 H ASP 51 H ASP 51 61.484 58.665 42.695 418 HA ASP 51 HA ASP 51 63.070 57.068 44.442 419 HB2 ASP 51 HB2 ASP 51 63.041 57.111 41.938 420 HB3 ASP 51 HB3 ASP 51 63.777 58.710 41.997 421 H LYS 52 H LYS 52 65.459 57.550 44.973 422 HA LYS 52 HA LYS 52 65.817 59.786 46.629 423 HB2 LYS 52 HB2 LYS 52 68.241 59.427 46.325 424 HB3 LYS 52 HB3 LYS 52 67.341 57.969 46.783 425 HG2 LYS 52 HG2 LYS 52 68.491 56.982 45.107 426 HG3 LYS 52 HG3 LYS 52 67.309 57.734 44.050 427 HD2 LYS 52 HD2 LYS 52 68.854 59.704 43.732 428 HD3 LYS 52 HD3 LYS 52 70.064 58.865 44.692 429 HE2 LYS 52 HE2 LYS 52 69.768 56.838 43.140 430 HE3 LYS 52 HE3 LYS 52 68.550 57.763 42.260 431 HZ1 LYS 52 HZ1 LYS 52 70.678 57.902 41.148 432 HZ2 LYS 52 HZ2 LYS 52 70.239 59.344 41.702 433 HZ3 LYS 52 HZ3 LYS 52 71.382 58.534 42.508 434 H ASP 53 H ASP 53 66.369 59.433 43.156 435 HA ASP 53 HA ASP 53 67.535 61.947 42.455 436 HB2 ASP 53 HB2 ASP 53 67.220 59.631 41.226 437 HB3 ASP 53 HB3 ASP 53 65.678 60.322 40.717 438 H GLY 54 H GLY 54 64.335 61.238 43.521 439 HA2 GLY 54 HA2 GLY 54 62.458 62.508 43.641 440 HA3 GLY 54 HA3 GLY 54 63.319 63.864 42.861 441 H LYS 55 H LYS 55 62.400 60.511 41.868 442 HA LYS 55 HA LYS 55 60.998 61.689 39.558 443 HB2 LYS 55 HB2 LYS 55 63.310 61.079 38.880 444 HB3 LYS 55 HB3 LYS 55 62.985 59.395 39.330 445 HG2 LYS 55 HG2 LYS 55 62.656 59.412 36.931 446 HG3 LYS 55 HG3 LYS 55 61.059 59.476 37.553 447 HD2 LYS 55 HD2 LYS 55 61.055 61.139 35.912 448 HD3 LYS 55 HD3 LYS 55 61.219 62.069 37.377 449 HE2 LYS 55 HE2 LYS 55 63.836 61.756 36.945 450 HE3 LYS 55 HE3 LYS 55 63.328 61.551 35.279 451 HZ1 LYS 55 HZ1 LYS 55 63.829 63.882 36.139 452 HZ2 LYS 55 HZ2 LYS 55 62.486 63.746 35.257 453 HZ3 LYS 55 HZ3 LYS 55 62.405 63.859 36.879 454 HA PRO 56 HA PRO 56 58.099 58.719 40.954 455 HB2 PRO 56 HB2 PRO 56 56.232 59.014 38.981 456 HB3 PRO 56 HB3 PRO 56 56.468 60.198 40.361 457 HG2 PRO 56 HG2 PRO 56 57.389 60.210 37.552 458 HG3 PRO 56 HG3 PRO 56 56.793 61.638 38.528 459 HD2 PRO 56 HD2 PRO 56 59.492 61.235 38.153 460 HD3 PRO 56 HD3 PRO 56 58.781 61.902 39.656 461 H LYS 57 H LYS 57 60.291 57.876 38.832 462 HA LYS 57 HA LYS 57 60.775 55.853 37.688 463 HB2 LYS 57 HB2 LYS 57 58.708 54.745 39.612 464 HB3 LYS 57 HB3 LYS 57 60.030 53.874 38.876 465 HG2 LYS 57 HG2 LYS 57 61.153 54.276 40.774 466 HG3 LYS 57 HG3 LYS 57 61.377 55.933 40.202 467 HD2 LYS 57 HD2 LYS 57 59.355 56.671 41.393 468 HD3 LYS 57 HD3 LYS 57 58.963 54.997 41.834 469 HE2 LYS 57 HE2 LYS 57 61.545 56.351 42.615 470 HE3 LYS 57 HE3 LYS 57 60.043 56.514 43.562 471 HZ1 LYS 57 HZ1 LYS 57 61.242 54.768 44.473 472 HZ2 LYS 57 HZ2 LYS 57 60.034 54.069 43.687 473 HZ3 LYS 57 HZ3 LYS 57 61.564 54.035 43.048 474 H GLN 58 H GLN 58 58.579 57.332 36.428 475 HA GLN 58 HA GLN 58 56.885 57.244 34.974 476 HB2 GLN 58 HB2 GLN 58 58.340 54.734 34.203 477 HB3 GLN 58 HB3 GLN 58 56.934 55.326 33.308 478 HG2 GLN 58 HG2 GLN 58 58.304 57.578 33.130 479 HG3 GLN 58 HG3 GLN 58 59.694 56.556 33.474 480 HE21 GLN 58 HE21 GLN 58 56.900 56.875 31.235 481 HE22 GLN 58 HE22 GLN 58 57.592 55.877 29.958 482 H PHE 59 H PHE 59 56.062 56.365 37.536 483 HA PHE 59 HA PHE 59 53.632 54.920 36.798 484 HB2 PHE 59 HB2 PHE 59 53.761 52.991 37.835 485 HB3 PHE 59 HB3 PHE 59 55.425 53.163 37.324 486 HD1 PHE 59 HD1 PHE 59 53.110 53.166 40.190 487 HD2 PHE 59 HD2 PHE 59 57.194 53.327 38.881 488 HE1 PHE 59 HE1 PHE 59 53.853 52.766 42.516 489 HE2 PHE 59 HE2 PHE 59 57.967 52.945 41.220 490 HZ PHE 59 HZ PHE 59 56.302 52.851 43.066 491 H ALA 60 H ALA 60 51.953 54.987 38.523 492 HA ALA 60 HA ALA 60 52.411 56.551 40.946 493 HB1 ALA 60 HB1 ALA 60 52.033 58.247 39.114 494 HB2 ALA 60 HB2 ALA 60 50.387 57.576 38.933 495 HB3 ALA 60 HB3 ALA 60 50.907 58.329 40.459 496 H PHE 61 H PHE 61 50.066 56.739 42.169 497 HA PHE 61 HA PHE 61 48.335 54.408 41.498 498 HB2 PHE 61 HB2 PHE 61 49.677 55.180 44.071 499 HB3 PHE 61 HB3 PHE 61 48.041 54.541 44.158 500 HD1 PHE 61 HD1 PHE 61 47.543 52.289 42.956 501 HD2 PHE 61 HD2 PHE 61 51.435 53.607 44.255 502 HE1 PHE 61 HE1 PHE 61 48.268 49.935 43.193 503 HE2 PHE 61 HE2 PHE 61 52.219 51.253 44.273 504 HZ PHE 61 HZ PHE 61 50.626 49.412 43.794 505 H VAL 62 H VAL 62 46.160 54.581 42.077 506 HA VAL 62 HA VAL 62 45.148 57.297 42.758 507 HB VAL 62 HB VAL 62 44.267 55.646 40.350 508 HG11 VAL 62 HG11 VAL 62 42.283 56.620 41.019 509 HG12 VAL 62 HG12 VAL 62 43.075 58.078 41.678 510 HG13 VAL 62 HG13 VAL 62 42.887 57.870 39.933 511 HG21 VAL 62 HG21 VAL 62 46.415 57.097 40.052 512 HG22 VAL 62 HG22 VAL 62 45.091 57.181 38.902 513 HG23 VAL 62 HG23 VAL 62 45.281 58.470 40.119 514 H ASN 63 H ASN 63 43.536 57.293 44.206 515 HA ASN 63 HA ASN 63 42.402 54.729 45.130 516 HB2 ASN 63 HB2 ASN 63 43.602 56.508 46.675 517 HB3 ASN 63 HB3 ASN 63 42.195 57.489 46.417 518 HD21 ASN 63 HD22 ASN 63 43.357 54.354 47.678 519 HD22 ASN 63 HD21 ASN 63 42.045 54.206 48.843 520 H PHE 64 H PHE 64 40.152 54.292 45.032 521 HA PHE 64 HA PHE 64 38.223 56.182 43.922 522 HB2 PHE 64 HB2 PHE 64 37.904 55.152 41.838 523 HB3 PHE 64 HB3 PHE 64 39.603 55.500 41.921 524 HD1 PHE 64 HD2 PHE 64 40.621 52.987 43.459 525 HD2 PHE 64 HD1 PHE 64 37.687 53.459 40.313 526 HE1 PHE 64 HE2 PHE 64 40.763 50.597 42.954 527 HE2 PHE 64 HE1 PHE 64 37.802 51.045 39.855 528 HZ PHE 64 HZ PHE 64 39.343 49.589 41.181 529 H LYS 65 H LYS 65 36.074 55.212 43.651 530 HA LYS 65 HA LYS 65 35.573 52.729 45.195 531 HB2 LYS 65 HB2 LYS 65 33.766 53.561 46.375 532 HB3 LYS 65 HB3 LYS 65 35.197 54.525 46.763 533 HG2 LYS 65 HG2 LYS 65 34.347 56.387 45.453 534 HG3 LYS 65 HG3 LYS 65 32.933 55.448 44.913 535 HD2 LYS 65 HD2 LYS 65 33.465 55.860 47.863 536 HD3 LYS 65 HD3 LYS 65 32.685 57.080 46.824 537 HE2 LYS 65 HE2 LYS 65 31.006 55.406 46.139 538 HE3 LYS 65 HE3 LYS 65 31.628 54.240 47.306 539 HZ1 LYS 65 HZ1 LYS 65 29.835 55.553 48.232 540 HZ2 LYS 65 HZ2 LYS 65 31.249 55.902 49.030 541 HZ3 LYS 65 HZ3 LYS 65 30.657 56.916 47.941 542 H HIS 66 H HIS 66 34.194 51.482 44.442 543 HA HIS 66 HA HIS 66 31.920 52.099 42.776 544 HB2 HIS 66 HB2 HIS 66 32.518 50.746 40.924 545 HB3 HIS 66 HB3 HIS 66 33.806 51.936 41.081 546 HD2 HIS 66 HD2 HIS 66 36.083 50.735 42.689 547 HE1 HIS 66 HE1 HIS 66 35.162 46.820 41.319 548 HE2 HIS 66 HE2 HIS 66 36.874 48.251 42.535 549 H GLU 67 H GLU 67 30.811 49.755 42.350 550 HA GLU 67 HA GLU 67 31.837 47.729 44.259 551 HB2 GLU 67 HB2 GLU 67 29.809 48.871 45.196 552 HB3 GLU 67 HB3 GLU 67 28.885 48.249 43.833 553 HG2 GLU 67 HG2 GLU 67 29.744 45.888 44.643 554 HG3 GLU 67 HG3 GLU 67 30.133 46.703 46.134 555 H VAL 68 H VAL 68 32.298 45.922 43.259 556 HA VAL 68 HA VAL 68 32.756 44.435 41.725 557 HB VAL 68 HB VAL 68 31.052 42.912 41.118 558 HG11 VAL 68 HG11 VAL 68 30.462 44.002 43.879 559 HG12 VAL 68 HG12 VAL 68 30.253 42.351 43.266 560 HG13 VAL 68 HG13 VAL 68 31.884 43.015 43.421 561 HG21 VAL 68 HG21 VAL 68 29.001 45.018 41.924 562 HG22 VAL 68 HG22 VAL 68 29.163 44.205 40.349 563 HG23 VAL 68 HG23 VAL 68 28.676 43.279 41.768 564 H SER 69 H SER 69 33.080 46.974 40.496 565 HA SER 69 HA SER 69 32.303 46.395 37.696 566 HB2 SER 69 HB2 SER 69 31.634 48.516 37.237 567 HB3 SER 69 HB3 SER 69 31.050 48.354 38.899 568 HG SER 69 HG SER 69 33.045 49.523 39.436 569 H VAL 70 H VAL 70 33.413 47.658 35.948 570 HA VAL 70 HA VAL 70 36.216 47.057 36.132 571 HB VAL 70 HB VAL 70 36.523 48.343 34.002 572 HG11 VAL 70 HG11 VAL 70 34.674 45.956 33.791 573 HG12 VAL 70 HG12 VAL 70 35.785 46.622 32.573 574 HG13 VAL 70 HG13 VAL 70 36.451 45.958 34.052 575 HG21 VAL 70 HG21 VAL 70 34.589 49.785 33.984 576 HG22 VAL 70 HG22 VAL 70 34.733 48.798 32.531 577 HG23 VAL 70 HG23 VAL 70 33.513 48.365 33.739 578 HA PRO 71 HA PRO 71 37.834 51.153 37.293 579 HB2 PRO 71 HB2 PRO 71 40.417 50.946 36.576 580 HB3 PRO 71 HB3 PRO 71 39.706 49.915 37.855 581 HG2 PRO 71 HG2 PRO 71 40.198 49.218 34.951 582 HG3 PRO 71 HG3 PRO 71 40.656 48.256 36.380 583 HD2 PRO 71 HD2 PRO 71 38.360 47.890 34.914 584 HD3 PRO 71 HD3 PRO 71 38.496 47.445 36.636 585 H TYR 72 H TYR 72 36.692 52.612 36.065 586 HA TYR 72 HA TYR 72 36.168 52.464 33.312 587 HB2 TYR 72 HB2 TYR 72 34.914 53.538 35.186 588 HB3 TYR 72 HB3 TYR 72 36.046 54.878 35.118 589 HD1 TYR 72 HD1 TYR 72 36.036 56.366 33.103 590 HD2 TYR 72 HD2 TYR 72 33.207 53.161 33.539 591 HE1 TYR 72 HE1 TYR 72 34.667 57.355 31.299 592 HE2 TYR 72 HE2 TYR 72 31.902 54.046 31.583 593 HH TYR 72 HH TYR 72 32.857 57.008 29.902 594 H ALA 73 H ALA 73 38.812 54.238 34.905 595 HA ALA 73 HA ALA 73 39.676 55.841 32.692 596 HB1 ALA 73 HB1 ALA 73 41.235 54.659 35.029 597 HB2 ALA 73 HB2 ALA 73 41.964 55.582 33.720 598 HB3 ALA 73 HB3 ALA 73 40.752 56.363 34.730 599 H MET 74 H MET 74 39.921 52.387 33.207 600 HA MET 74 HA MET 74 42.349 52.125 31.638 601 HB2 MET 74 HB2 MET 74 41.819 50.720 33.684 602 HB3 MET 74 HB3 MET 74 40.603 49.863 32.737 603 HG2 MET 74 HG2 MET 74 42.228 48.948 31.263 604 HG3 MET 74 HG3 MET 74 43.452 50.121 31.752 605 HE1 MET 74 HE1 MET 74 41.821 46.714 32.224 606 HE2 MET 74 HE2 MET 74 42.441 46.149 33.784 607 HE3 MET 74 HE3 MET 74 41.180 47.424 33.722 608 H ASN 75 H ASN 75 39.042 52.202 30.917 609 HA ASN 75 HA ASN 75 39.626 51.495 28.082 610 HB2 ASN 75 HB2 ASN 75 37.725 50.351 29.130 611 HB3 ASN 75 HB3 ASN 75 37.053 51.880 29.649 612 HD21 ASN 75 HD22 ASN 75 35.883 53.116 28.178 613 HD22 ASN 75 HD21 ASN 75 35.556 52.603 26.528 614 H LEU 76 H LEU 76 38.989 54.225 30.225 615 HA LEU 76 HA LEU 76 37.930 56.014 28.197 616 HB2 LEU 76 HB2 LEU 76 37.324 56.064 30.631 617 HB3 LEU 76 HB3 LEU 76 38.941 56.605 31.011 618 HG LEU 76 HG LEU 76 38.504 58.568 29.322 619 HD11 LEU 76 HD11 LEU 76 36.637 58.060 28.116 620 HD12 LEU 76 HD12 LEU 76 35.794 57.281 29.476 621 HD13 LEU 76 HD13 LEU 76 35.917 59.059 29.390 622 HD21 LEU 76 HD21 LEU 76 37.600 59.987 30.844 623 HD22 LEU 76 HD22 LEU 76 36.645 58.750 31.677 624 HD23 LEU 76 HD23 LEU 76 38.432 58.810 31.869 625 H LEU 77 H LEU 77 41.007 55.786 29.940 626 HA LEU 77 HA LEU 77 42.323 57.682 28.077 627 HB2 LEU 77 HB2 LEU 77 43.252 56.732 30.832 628 HB3 LEU 77 HB3 LEU 77 44.016 57.938 29.836 629 HG LEU 77 HG LEU 77 43.132 59.154 31.494 630 HD11 LEU 77 HD11 LEU 77 40.801 59.428 29.549 631 HD12 LEU 77 HD12 LEU 77 41.339 60.556 30.793 632 HD13 LEU 77 HD13 LEU 77 42.398 60.226 29.432 633 HD21 LEU 77 HD21 LEU 77 40.932 59.017 32.498 634 HD22 LEU 77 HD22 LEU 77 40.602 57.537 31.550 635 HD23 LEU 77 HD23 LEU 77 41.954 57.614 32.738 636 H ASN 78 H ASN 78 44.163 55.380 29.918 637 HA ASN 78 HA ASN 78 45.824 54.031 29.183 638 HB2 ASN 78 HB2 ASN 78 43.869 52.841 29.951 639 HB3 ASN 78 HB3 ASN 78 43.277 52.660 28.281 640 HD21 ASN 78 HD22 ASN 78 45.048 51.569 26.841 641 HD22 ASN 78 HD21 ASN 78 45.931 50.232 27.605 642 H GLY 79 H GLY 79 46.757 55.545 27.698 643 HA2 GLY 79 HA2 GLY 79 47.979 54.879 25.484 644 HA3 GLY 79 HA3 GLY 79 46.350 54.899 24.807 645 H ILE 80 H ILE 80 47.007 57.345 27.211 646 HA ILE 80 HA ILE 80 46.967 59.418 25.052 647 HB ILE 80 HB ILE 80 45.208 60.616 26.144 648 HG12 ILE 80 HG12 ILE 80 44.035 59.028 28.023 649 HG13 ILE 80 HG13 ILE 80 45.803 58.739 28.313 650 HG21 ILE 80 HG21 ILE 80 44.325 57.718 25.911 651 HG22 ILE 80 HG22 ILE 80 43.339 59.177 25.769 652 HG23 ILE 80 HG23 ILE 80 44.597 58.861 24.550 653 HD11 ILE 80 HD11 ILE 80 46.130 61.078 28.744 654 HD12 ILE 80 HD12 ILE 80 44.514 61.467 28.090 655 HD13 ILE 80 HD13 ILE 80 44.659 60.583 29.627 656 H LYS 81 H LYS 81 47.689 61.457 25.655 657 HA LYS 81 HA LYS 81 48.715 62.098 28.264 658 HB2 LYS 81 HB2 LYS 81 51.186 62.336 27.442 659 HB3 LYS 81 HB3 LYS 81 50.530 60.830 27.971 660 HG2 LYS 81 HG2 LYS 81 51.855 60.457 25.959 661 HG3 LYS 81 HG3 LYS 81 50.149 60.113 25.665 662 HD2 LYS 81 HD2 LYS 81 49.917 62.262 24.444 663 HD3 LYS 81 HD3 LYS 81 51.620 62.643 24.821 664 HE2 LYS 81 HE2 LYS 81 52.343 60.610 23.645 665 HE3 LYS 81 HE3 LYS 81 50.697 60.057 23.480 666 HZ1 LYS 81 HZ1 LYS 81 51.593 61.069 21.404 667 HZ2 LYS 81 HZ2 LYS 81 50.206 61.705 21.882 668 HZ3 LYS 81 HZ3 LYS 81 51.605 62.521 22.135 669 H LEU 82 H LEU 82 49.976 64.141 28.159 670 HA LEU 82 HA LEU 82 49.602 65.774 25.688 671 HB2 LEU 82 HB2 LEU 82 48.222 66.726 27.500 672 HB3 LEU 82 HB3 LEU 82 49.606 66.727 28.586 673 HG LEU 82 HG LEU 82 50.766 68.369 27.084 674 HD11 LEU 82 HD11 LEU 82 48.112 68.423 25.595 675 HD12 LEU 82 HD12 LEU 82 49.509 69.491 25.300 676 HD13 LEU 82 HD13 LEU 82 49.649 67.774 24.975 677 HD21 LEU 82 HD21 LEU 82 49.266 68.997 29.076 678 HD22 LEU 82 HD22 LEU 82 49.801 70.237 27.943 679 HD23 LEU 82 HD23 LEU 82 48.140 69.638 27.854 680 H TYR 83 H TYR 83 51.776 64.952 28.379 681 HA TYR 83 HA TYR 83 53.858 66.727 27.501 682 HB2 TYR 83 HB2 TYR 83 53.634 64.476 29.510 683 HB3 TYR 83 HB3 TYR 83 55.109 65.404 29.339 684 HD1 TYR 83 HD1 TYR 83 52.889 68.033 29.029 685 HD2 TYR 83 HD2 TYR 83 53.742 64.876 31.802 686 HE1 TYR 83 HE1 TYR 83 51.950 69.405 30.851 687 HE2 TYR 83 HE2 TYR 83 52.867 66.281 33.688 688 HH TYR 83 HH TYR 83 51.502 69.487 33.122 689 H GLY 84 H GLY 84 53.463 63.176 27.214 690 HA2 GLY 84 HA2 GLY 84 54.644 62.978 24.719 691 HA3 GLY 84 HA3 GLY 84 56.024 62.880 25.809 692 H ARG 85 H ARG 85 54.939 61.352 27.883 693 HA ARG 85 HA ARG 85 54.756 58.663 26.597 694 HB2 ARG 85 HB2 ARG 85 55.547 59.460 29.415 695 HB3 ARG 85 HB3 ARG 85 55.224 57.820 28.923 696 HG2 ARG 85 HG2 ARG 85 57.471 57.768 28.417 697 HG3 ARG 85 HG3 ARG 85 56.929 58.455 26.907 698 HD2 ARG 85 HD2 ARG 85 57.308 60.775 27.999 699 HD3 ARG 85 HD3 ARG 85 58.125 59.892 29.297 700 HE ARG 85 HE ARG 85 59.625 58.942 27.424 701 HH11 ARG 85 HH11 ARG 85 58.379 62.275 27.289 702 HH12 ARG 85 HH12 ARG 85 59.332 62.608 25.862 703 HH21 ARG 85 HH21 ARG 85 61.040 59.694 25.869 704 HH22 ARG 85 HH22 ARG 85 60.970 61.345 25.340 705 HA PRO 86 HA PRO 86 50.398 58.917 27.516 706 HB2 PRO 86 HB2 PRO 86 49.638 56.495 26.509 707 HB3 PRO 86 HB3 PRO 86 50.055 57.928 25.500 708 HG2 PRO 86 HG2 PRO 86 51.893 55.595 26.188 709 HG3 PRO 86 HG3 PRO 86 51.570 56.359 24.589 710 HD2 PRO 86 HD2 PRO 86 53.720 57.051 26.052 711 HD3 PRO 86 HD3 PRO 86 52.767 58.295 25.200 712 H ILE 87 H ILE 87 49.102 58.459 29.183 713 HA ILE 87 HA ILE 87 50.032 56.815 31.339 714 HB ILE 87 HB ILE 87 47.466 58.285 30.676 715 HG12 ILE 87 HG12 ILE 87 49.266 59.691 31.466 716 HG13 ILE 87 HG13 ILE 87 48.016 59.618 32.712 717 HG21 ILE 87 HG21 ILE 87 47.832 56.596 33.169 718 HG22 ILE 87 HG22 ILE 87 46.467 57.710 32.846 719 HG23 ILE 87 HG23 ILE 87 46.684 56.283 31.850 720 HD11 ILE 87 HD11 ILE 87 49.380 58.007 34.001 721 HD12 ILE 87 HD12 ILE 87 50.667 58.160 32.773 722 HD13 ILE 87 HD13 ILE 87 50.167 59.574 33.719 723 H LYS 88 H LYS 88 49.740 54.882 31.861 724 HA LYS 88 HA LYS 88 47.866 53.156 30.374 725 HB2 LYS 88 HB2 LYS 88 50.288 52.893 29.774 726 HB3 LYS 88 HB3 LYS 88 50.678 52.565 31.472 727 HG2 LYS 88 HG2 LYS 88 50.603 50.637 29.934 728 HG3 LYS 88 HG3 LYS 88 49.584 50.472 31.399 729 HD2 LYS 88 HD2 LYS 88 47.620 50.945 30.214 730 HD3 LYS 88 HD3 LYS 88 48.489 51.454 28.741 731 HE2 LYS 88 HE2 LYS 88 49.032 48.756 29.929 732 HE3 LYS 88 HE3 LYS 88 47.484 48.916 29.105 733 HZ1 LYS 88 HZ1 LYS 88 48.597 49.363 27.078 734 HZ2 LYS 88 HZ2 LYS 88 50.065 49.572 27.804 735 HZ3 LYS 88 HZ3 LYS 88 49.420 48.113 27.735 736 H ILE 89 H ILE 89 46.272 52.590 31.623 737 HA ILE 89 HA ILE 89 46.574 52.390 34.574 738 HB ILE 89 HB ILE 89 44.040 52.067 32.948 739 HG12 ILE 89 HG12 ILE 89 43.665 54.346 34.377 740 HG13 ILE 89 HG13 ILE 89 45.397 54.427 34.317 741 HG21 ILE 89 HG21 ILE 89 44.436 52.395 35.949 742 HG22 ILE 89 HG22 ILE 89 42.888 52.363 35.084 743 HG23 ILE 89 HG23 ILE 89 43.887 50.923 35.106 744 HD11 ILE 89 HD11 ILE 89 43.569 54.512 31.863 745 HD12 ILE 89 HD12 ILE 89 44.474 55.830 32.639 746 HD13 ILE 89 HD13 ILE 89 45.327 54.523 31.801 747 H GLN 90 H GLN 90 46.382 50.412 35.686 748 HA GLN 90 HA GLN 90 46.043 47.911 34.158 749 HB2 GLN 90 HB2 GLN 90 48.364 48.431 36.005 750 HB3 GLN 90 HB3 GLN 90 48.000 46.941 35.120 751 HG2 GLN 90 HG2 GLN 90 48.461 48.163 32.954 752 HG3 GLN 90 HG3 GLN 90 48.815 49.618 33.903 753 HE21 GLN 90 HE22 GLN 90 50.815 48.248 32.098 754 HE22 GLN 90 HE21 GLN 90 52.009 47.592 33.219 755 H PHE 91 H PHE 91 45.676 46.200 35.445 756 HA PHE 91 HA PHE 91 43.864 46.833 37.665 757 HB2 PHE 91 HB2 PHE 91 43.051 45.333 35.972 758 HB3 PHE 91 HB3 PHE 91 44.473 44.299 36.105 759 HD1 PHE 91 HD2 PHE 91 41.518 45.623 37.874 760 HD2 PHE 91 HD1 PHE 91 44.347 42.383 37.741 761 HE1 PHE 91 HE2 PHE 91 40.070 44.289 39.395 762 HE2 PHE 91 HE1 PHE 91 42.775 40.972 39.054 763 HZ PHE 91 HZ PHE 91 40.622 41.915 39.847 764 H ARG 92 H ARG 92 43.955 45.818 39.704 765 HA ARG 92 HA ARG 92 46.672 45.728 40.794 766 HB2 ARG 92 HB2 ARG 92 44.765 47.301 41.602 767 HB3 ARG 92 HB3 ARG 92 44.009 45.871 42.255 768 HG2 ARG 92 HG2 ARG 92 44.991 46.701 44.081 769 HG3 ARG 92 HG3 ARG 92 46.196 45.512 43.643 770 HD2 ARG 92 HD2 ARG 92 46.461 48.370 42.673 771 HD3 ARG 92 HD3 ARG 92 46.819 47.986 44.356 772 HE ARG 92 HE ARG 92 48.358 46.951 41.974 773 HH11 ARG 92 HH11 ARG 92 48.447 47.896 45.401 774 HH12 ARG 92 HH12 ARG 92 50.024 47.156 45.544 775 HH21 ARG 92 HH21 ARG 92 50.178 45.936 42.395 776 HH22 ARG 92 HH22 ARG 92 50.895 46.007 44.002 777 H SER 93 H SER 93 46.486 43.441 39.581 778 HA SER 93 HA SER 93 45.351 41.380 41.334 779 HB2 SER 93 HB2 SER 93 46.853 39.917 39.612 780 HB3 SER 93 HB3 SER 93 45.180 40.393 39.380 781 HG SER 93 HG SER 93 46.331 40.899 37.614 782 H GLY 94 H GLY 94 47.032 39.353 41.553 783 HA2 GLY 94 HA2 GLY 94 49.734 40.064 42.270 784 HA3 GLY 94 HA3 GLY 94 48.696 39.868 43.695 785 H SER 95 H SER 95 50.502 38.293 43.975 786 HA SER 95 HA SER 95 50.518 35.779 42.631 787 HB2 SER 95 HB2 SER 95 51.483 35.014 44.963 788 HB3 SER 95 HB3 SER 95 52.396 36.009 43.820 789 HG SER 95 HG SER 95 52.474 36.759 45.915 790 H SER 96 H SER 96 49.337 33.935 42.988 791 HA SER 96 HA SER 96 46.651 34.132 43.561 792 HB2 SER 96 HB2 SER 96 47.999 31.490 43.861 793 HB3 SER 96 HB3 SER 96 46.421 31.941 43.176 794 HG SER 96 HG SER 96 47.401 31.980 41.367 795 H HIS 97 H HIS 97 45.264 33.727 45.142 796 HA HIS 97 HA HIS 97 46.148 33.739 47.916 797 HB2 HIS 97 HB2 HIS 97 43.810 34.133 48.396 798 HB3 HIS 97 HB3 HIS 97 44.361 35.240 47.142 799 HD2 HIS 97 HD2 HIS 97 41.381 34.257 47.925 800 HE1 HIS 97 HE1 HIS 97 41.301 32.712 43.966 801 HE2 HIS 97 HE2 HIS 97 39.884 33.439 45.941 802 H ALA 98 H ALA 98 44.830 32.266 49.552 803 HA ALA 98 HA ALA 98 45.017 29.434 48.590 804 HB1 ALA 98 HB1 ALA 98 45.727 30.749 51.250 805 HB2 ALA 98 HB2 ALA 98 45.909 29.029 50.890 806 HB3 ALA 98 HB3 ALA 98 46.905 30.225 50.028 807 HA PRO 99 HA PRO 99 40.967 28.989 50.445 808 HB2 PRO 99 HB2 PRO 99 41.055 26.436 51.566 809 HB3 PRO 99 HB3 PRO 99 40.710 26.776 49.846 810 HG2 PRO 99 HG2 PRO 99 43.309 26.068 51.231 811 HG3 PRO 99 HG3 PRO 99 42.710 25.387 49.683 812 HD2 PRO 99 HD2 PRO 99 44.619 27.317 49.758 813 HD3 PRO 99 HD3 PRO 99 43.368 27.347 48.495 814 H GLN 100 H GLN 100 39.962 29.081 52.513 815 HA GLN 100 HA GLN 100 41.581 29.946 54.767 816 HB2 GLN 100 HB2 GLN 100 38.612 29.238 54.585 817 HB3 GLN 100 HB3 GLN 100 39.425 30.053 55.912 818 HG2 GLN 100 HG2 GLN 100 38.396 31.778 54.895 819 HG3 GLN 100 HG3 GLN 100 40.036 31.902 54.260 820 HE21 GLN 100 HE22 GLN 100 39.011 33.251 52.440 821 HE22 GLN 100 HE21 GLN 100 38.052 32.451 51.240 822 H ASP 101 H ASP 101 40.046 27.012 53.782 823 HA ASP 101 HA ASP 101 41.278 25.362 55.873 824 HB2 ASP 101 HB2 ASP 101 39.339 26.023 57.058 825 HB3 ASP 101 HB3 ASP 101 38.289 25.825 55.670 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 51.162 28.704 38.743 2 H2 GLY 1 H2 GLY 1 49.918 29.766 38.499 3 H3 GLY 1 H3 GLY 1 51.281 30.251 39.252 4 HA2 GLY 1 HA2 GLY 1 51.375 29.257 36.510 5 HA3 GLY 1 HA3 GLY 1 51.020 30.951 36.890 6 H SER 2 H SER 2 53.502 29.577 35.663 7 HA SER 2 HA SER 2 55.528 30.900 37.419 8 HB2 SER 2 HB2 SER 2 55.987 28.410 35.740 9 HB3 SER 2 HB3 SER 2 57.173 29.276 36.740 10 HG SER 2 HG SER 2 56.232 28.488 38.496 11 H GLU 3 H GLU 3 53.915 31.513 34.732 12 HA GLU 3 HA GLU 3 55.693 31.810 32.585 13 HB2 GLU 3 HB2 GLU 3 53.295 33.413 33.468 14 HB3 GLU 3 HB3 GLU 3 54.186 33.799 31.989 15 HG2 GLU 3 HG2 GLU 3 53.747 31.583 31.075 16 HG3 GLU 3 HG3 GLU 3 52.958 31.081 32.562 17 H PHE 4 H PHE 4 57.375 33.323 32.117 18 HA PHE 4 HA PHE 4 58.618 34.577 34.273 19 HB2 PHE 4 HB2 PHE 4 59.470 33.979 31.813 20 HB3 PHE 4 HB3 PHE 4 59.227 35.708 31.573 21 HD1 PHE 4 HD2 PHE 4 60.850 33.151 33.617 22 HD2 PHE 4 HD1 PHE 4 60.818 37.307 32.572 23 HE1 PHE 4 HE2 PHE 4 63.184 33.388 34.520 24 HE2 PHE 4 HE1 PHE 4 63.101 37.571 33.504 25 HZ PHE 4 HZ PHE 4 64.273 35.615 34.518 26 H GLU 5 H GLU 5 56.523 36.018 31.859 27 HA GLU 5 HA GLU 5 56.809 38.793 32.591 28 HB2 GLU 5 HB2 GLU 5 55.209 39.243 30.924 29 HB3 GLU 5 HB3 GLU 5 56.211 37.936 30.321 30 HG2 GLU 5 HG2 GLU 5 54.435 36.351 31.387 31 HG3 GLU 5 HG3 GLU 5 53.426 37.790 31.525 32 H LEU 6 H LEU 6 55.317 36.462 34.507 33 HA LEU 6 HA LEU 6 53.001 38.052 35.398 34 HB2 LEU 6 HB2 LEU 6 54.355 35.508 36.306 35 HB3 LEU 6 HB3 LEU 6 53.138 36.315 37.305 36 HG LEU 6 HG LEU 6 52.565 35.264 34.516 37 HD11 LEU 6 HD11 LEU 6 52.223 33.916 37.255 38 HD12 LEU 6 HD12 LEU 6 51.546 33.299 35.737 39 HD13 LEU 6 HD13 LEU 6 53.303 33.428 35.955 40 HD21 LEU 6 HD21 LEU 6 50.189 35.328 35.329 41 HD22 LEU 6 HD22 LEU 6 50.744 36.158 36.793 42 HD23 LEU 6 HD23 LEU 6 50.942 36.913 35.192 43 H ARG 7 H ARG 7 52.966 39.395 37.176 44 HA ARG 7 HA ARG 7 55.511 40.208 38.354 45 HB2 ARG 7 HB2 ARG 7 52.712 41.232 38.868 46 HB3 ARG 7 HB3 ARG 7 54.209 41.800 39.632 47 HG2 ARG 7 HG2 ARG 7 54.057 43.359 38.010 48 HG3 ARG 7 HG3 ARG 7 55.021 42.131 37.134 49 HD2 ARG 7 HD2 ARG 7 53.040 41.293 36.042 50 HD3 ARG 7 HD3 ARG 7 51.991 42.375 36.949 51 HE ARG 7 HE ARG 7 53.747 43.045 34.671 52 HH11 ARG 7 HH11 ARG 7 51.725 44.292 37.250 53 HH12 ARG 7 HH12 ARG 7 51.360 45.776 36.353 54 HH21 ARG 7 HH21 ARG 7 53.199 45.070 33.662 55 HH22 ARG 7 HH22 ARG 7 52.074 46.146 34.484 56 H ARG 8 H ARG 8 56.256 38.782 39.657 57 HA ARG 8 HA ARG 8 54.747 37.671 41.986 58 HB2 ARG 8 HB2 ARG 8 56.535 36.334 39.957 59 HB3 ARG 8 HB3 ARG 8 56.386 35.690 41.604 60 HG2 ARG 8 HG2 ARG 8 53.819 35.664 41.135 61 HG3 ARG 8 HG3 ARG 8 54.257 35.924 39.438 62 HD2 ARG 8 HD2 ARG 8 55.034 33.511 41.102 63 HD3 ARG 8 HD3 ARG 8 53.777 33.586 39.863 64 HE ARG 8 HE ARG 8 55.891 34.394 38.394 65 HH11 ARG 8 HH11 ARG 8 55.605 31.703 40.586 66 HH12 ARG 8 HH12 ARG 8 57.122 30.989 40.019 67 HH21 ARG 8 HH21 ARG 8 57.681 33.380 37.661 68 HH22 ARG 8 HH22 ARG 8 58.145 31.818 38.307 69 H GLN 9 H GLN 9 55.667 39.574 43.133 70 HA GLN 9 HA GLN 9 58.655 39.707 43.300 71 HB2 GLN 9 HB2 GLN 9 57.355 41.285 41.617 72 HB3 GLN 9 HB3 GLN 9 57.020 42.205 43.106 73 HG2 GLN 9 HG2 GLN 9 58.922 43.062 41.791 74 HG3 GLN 9 HG3 GLN 9 59.302 42.687 43.474 75 HE21 GLN 9 HE22 GLN 9 59.743 41.821 40.086 76 HE22 GLN 9 HE21 GLN 9 61.063 40.709 40.305 77 H GLN 10 H GLN 10 59.559 40.770 45.099 78 HA GLN 10 HA GLN 10 58.380 40.787 47.647 79 HB2 GLN 10 HB2 GLN 10 60.287 42.243 48.245 80 HB3 GLN 10 HB3 GLN 10 60.785 40.835 47.329 81 HG2 GLN 10 HG2 GLN 10 61.476 42.061 45.495 82 HG3 GLN 10 HG3 GLN 10 60.237 43.268 45.653 83 HE21 GLN 10 HE22 GLN 10 63.472 42.292 46.938 84 HE22 GLN 10 HE21 GLN 10 63.826 43.896 47.509 85 H ALA 11 H ALA 11 58.098 43.403 45.233 86 HA ALA 11 HA ALA 11 56.385 44.891 47.131 87 HB1 ALA 11 HB1 ALA 11 58.676 46.233 45.663 88 HB2 ALA 11 HB2 ALA 11 57.650 46.927 46.930 89 HB3 ALA 11 HB3 ALA 11 58.790 45.647 47.352 90 H LEU 12 H LEU 12 55.269 46.724 46.115 91 HA LEU 12 HA LEU 12 53.476 47.193 44.951 92 HB2 LEU 12 HB2 LEU 12 55.527 47.344 42.725 93 HB3 LEU 12 HB3 LEU 12 53.959 48.129 42.672 94 HG LEU 12 HG LEU 12 55.961 48.803 44.850 95 HD11 LEU 12 HD11 LEU 12 55.579 50.209 42.156 96 HD12 LEU 12 HD12 LEU 12 56.469 50.875 43.534 97 HD13 LEU 12 HD13 LEU 12 57.039 49.408 42.755 98 HD21 LEU 12 HD21 LEU 12 54.476 50.799 45.089 99 HD22 LEU 12 HD22 LEU 12 53.378 50.089 43.883 100 HD23 LEU 12 HD23 LEU 12 53.698 49.254 45.416 101 H ALA 13 H ALA 13 54.542 44.138 44.256 102 HA ALA 13 HA ALA 13 52.708 43.572 42.081 103 HB1 ALA 13 HB1 ALA 13 53.616 41.387 42.097 104 HB2 ALA 13 HB2 ALA 13 54.950 42.528 42.382 105 HB3 ALA 13 HB3 ALA 13 54.253 41.578 43.740 106 H GLU 14 H GLU 14 52.079 43.909 45.276 107 HA GLU 14 HA GLU 14 49.788 42.035 45.449 108 HB2 GLU 14 HB2 GLU 14 51.757 42.379 47.115 109 HB3 GLU 14 HB3 GLU 14 50.904 43.850 47.593 110 HG2 GLU 14 HG2 GLU 14 49.105 42.611 48.449 111 HG3 GLU 14 HG3 GLU 14 49.557 41.141 47.554 112 H ALA 15 H ALA 15 47.732 42.913 46.289 113 HA ALA 15 HA ALA 15 47.113 45.413 44.787 114 HB1 ALA 15 HB1 ALA 15 45.125 44.360 44.031 115 HB2 ALA 15 HB2 ALA 15 46.468 43.243 43.739 116 HB3 ALA 15 HB3 ALA 15 45.367 42.947 45.094 117 H ASP 16 H ASP 16 45.040 46.356 45.125 118 HA ASP 16 HA ASP 16 43.941 46.504 47.811 119 HB2 ASP 16 HB2 ASP 16 46.050 47.910 47.881 120 HB3 ASP 16 HB3 ASP 16 45.416 48.854 46.530 121 H ARG 17 H ARG 17 42.316 48.286 47.822 122 HA ARG 17 HA ARG 17 40.464 48.588 45.640 123 HB2 ARG 17 HB2 ARG 17 41.188 50.148 48.167 124 HB3 ARG 17 HB3 ARG 17 39.938 50.727 47.084 125 HG2 ARG 17 HG2 ARG 17 38.622 48.675 47.428 126 HG3 ARG 17 HG3 ARG 17 39.891 47.976 48.430 127 HD2 ARG 17 HD2 ARG 17 39.605 49.676 50.133 128 HD3 ARG 17 HD3 ARG 17 38.369 50.521 49.205 129 HE ARG 17 HE ARG 17 38.055 48.234 50.879 130 HH11 ARG 17 HH11 ARG 17 36.648 49.552 47.859 131 HH12 ARG 17 HH12 ARG 17 35.265 48.487 48.054 132 HH21 ARG 17 HH21 ARG 17 36.202 47.402 51.115 133 HH22 ARG 17 HH22 ARG 17 34.935 47.370 49.912 134 H THR 18 H THR 18 43.407 50.376 46.535 135 HA THR 18 HA THR 18 43.045 52.571 44.711 136 HB THR 18 HB THR 18 45.738 51.510 45.673 137 HG1 THR 18 HG1 THR 18 44.705 52.001 47.456 138 HG21 THR 18 HG21 THR 18 45.084 54.436 45.229 139 HG22 THR 18 HG22 THR 18 46.632 53.672 45.538 140 HG23 THR 18 HG23 THR 18 45.844 53.446 43.962 141 H LEU 19 H LEU 19 43.903 52.962 42.763 142 HA LEU 19 HA LEU 19 44.078 50.605 41.044 143 HB2 LEU 19 HB2 LEU 19 42.542 52.802 40.930 144 HB3 LEU 19 HB3 LEU 19 43.916 53.460 40.073 145 HG LEU 19 HG LEU 19 42.242 51.009 39.344 146 HD11 LEU 19 HD11 LEU 19 41.589 53.623 39.073 147 HD12 LEU 19 HD12 LEU 19 42.500 53.396 37.567 148 HD13 LEU 19 HD13 LEU 19 41.075 52.374 37.965 149 HD21 LEU 19 HD21 LEU 19 44.479 50.539 38.538 150 HD22 LEU 19 HD22 LEU 19 43.484 51.038 37.181 151 HD23 LEU 19 HD23 LEU 19 44.651 52.187 37.903 152 H PHE 20 H PHE 20 45.986 50.058 39.947 153 HA PHE 20 HA PHE 20 48.418 51.665 40.369 154 HB2 PHE 20 HB2 PHE 20 48.274 49.038 40.326 155 HB3 PHE 20 HB3 PHE 20 48.081 49.213 38.603 156 HD1 PHE 20 HD1 PHE 20 49.913 50.529 37.266 157 HD2 PHE 20 HD2 PHE 20 50.579 48.894 41.198 158 HE1 PHE 20 HE1 PHE 20 52.347 50.950 37.035 159 HE2 PHE 20 HE2 PHE 20 53.047 49.177 40.864 160 HZ PHE 20 HZ PHE 20 53.907 50.234 38.814 161 H VAL 21 H VAL 21 49.274 53.076 39.033 162 HA VAL 21 HA VAL 21 48.384 53.083 36.196 163 HB VAL 21 HB VAL 21 48.857 55.611 37.801 164 HG11 VAL 21 HG11 VAL 21 47.636 55.042 35.060 165 HG12 VAL 21 HG12 VAL 21 48.019 56.647 35.734 166 HG13 VAL 21 HG13 VAL 21 49.318 55.537 35.280 167 HG21 VAL 21 HG21 VAL 21 46.772 54.568 38.617 168 HG22 VAL 21 HG22 VAL 21 46.360 55.911 37.555 169 HG23 VAL 21 HG23 VAL 21 46.262 54.225 36.964 170 H GLY 22 H GLY 22 50.052 53.035 34.797 171 HA2 GLY 22 HA2 GLY 22 52.736 53.926 35.697 172 HA3 GLY 22 HA3 GLY 22 52.575 52.359 34.972 173 H ASN 23 H ASN 23 54.210 53.534 33.660 174 HA ASN 23 HA ASN 23 55.004 54.422 31.744 175 HB2 ASN 23 HB2 ASN 23 52.913 53.093 30.864 176 HB3 ASN 23 HB3 ASN 23 52.229 54.722 30.636 177 HD21 ASN 23 HD21 ASN 23 52.183 54.776 28.391 178 HD22 ASN 23 HD22 ASN 23 53.619 54.519 27.387 179 H LEU 24 H LEU 24 54.467 56.122 33.852 180 HA LEU 24 HA LEU 24 53.093 58.568 33.088 181 HB2 LEU 24 HB2 LEU 24 55.111 57.966 35.257 182 HB3 LEU 24 HB3 LEU 24 54.260 59.479 35.044 183 HG LEU 24 HG LEU 24 53.563 57.571 36.822 184 HD11 LEU 24 HD11 LEU 24 51.554 59.288 35.379 185 HD12 LEU 24 HD12 LEU 24 51.297 58.426 36.923 186 HD13 LEU 24 HD13 LEU 24 52.511 59.697 36.847 187 HD21 LEU 24 HD21 LEU 24 53.007 55.886 35.104 188 HD22 LEU 24 HD22 LEU 24 51.606 56.265 36.110 189 HD23 LEU 24 HD23 LEU 24 51.715 56.945 34.476 190 H GLU 25 H GLU 25 53.959 60.578 32.682 191 HA GLU 25 HA GLU 25 56.418 60.543 31.220 192 HB2 GLU 25 HB2 GLU 25 54.292 62.439 31.556 193 HB3 GLU 25 HB3 GLU 25 55.760 63.282 32.041 194 HG2 GLU 25 HG2 GLU 25 55.663 61.571 29.549 195 HG3 GLU 25 HG3 GLU 25 54.980 63.163 29.489 196 H THR 26 H THR 26 58.133 62.036 31.513 197 HA THR 26 HA THR 26 59.687 61.251 33.824 198 HB THR 26 HB THR 26 61.538 62.203 32.658 199 HG1 THR 26 HG1 THR 26 59.606 63.483 31.081 200 HG21 THR 26 HG21 THR 26 60.501 60.203 31.413 201 HG22 THR 26 HG22 THR 26 59.883 61.391 30.239 202 HG23 THR 26 HG23 THR 26 61.622 61.300 30.546 203 H LYS 27 H LYS 27 57.553 63.701 33.117 204 HA LYS 27 HA LYS 27 58.414 65.348 35.439 205 HB2 LYS 27 HB2 LYS 27 57.356 66.576 32.861 206 HB3 LYS 27 HB3 LYS 27 57.783 67.438 34.318 207 HG2 LYS 27 HG2 LYS 27 59.748 65.903 32.566 208 HG3 LYS 27 HG3 LYS 27 59.469 67.644 32.565 209 HD2 LYS 27 HD2 LYS 27 60.429 66.301 35.112 210 HD3 LYS 27 HD3 LYS 27 61.513 66.830 33.795 211 HE2 LYS 27 HE2 LYS 27 60.668 69.049 33.892 212 HE3 LYS 27 HE3 LYS 27 59.433 68.616 35.077 213 HZ1 LYS 27 HZ1 LYS 27 61.422 69.564 36.091 214 HZ2 LYS 27 HZ2 LYS 27 61.235 68.041 36.636 215 HZ3 LYS 27 HZ3 LYS 27 62.348 68.362 35.513 216 H VAL 28 H VAL 28 56.173 63.249 34.916 217 HA VAL 28 HA VAL 28 53.664 64.514 35.167 218 HB VAL 28 HB VAL 28 54.263 62.127 34.657 219 HG11 VAL 28 HG11 VAL 28 54.657 60.553 36.633 220 HG12 VAL 28 HG12 VAL 28 55.860 61.800 36.397 221 HG13 VAL 28 HG13 VAL 28 54.650 61.975 37.673 222 HG21 VAL 28 HG21 VAL 28 51.916 63.186 35.457 223 HG22 VAL 28 HG22 VAL 28 52.133 61.554 34.902 224 HG23 VAL 28 HG23 VAL 28 52.082 61.889 36.654 225 H THR 29 H THR 29 52.196 64.447 37.057 226 HA THR 29 HA THR 29 53.240 64.824 39.712 227 HB THR 29 HB THR 29 52.110 67.172 39.819 228 HG1 THR 29 HG1 THR 29 52.567 68.307 37.913 229 HG21 THR 29 HG21 THR 29 54.763 67.248 38.406 230 HG22 THR 29 HG22 THR 29 54.159 68.185 39.807 231 HG23 THR 29 HG23 THR 29 54.615 66.491 40.010 232 H GLU 30 H GLU 30 51.373 65.310 41.195 233 HA GLU 30 HA GLU 30 49.186 63.544 40.676 234 HB2 GLU 30 HB2 GLU 30 49.683 65.619 42.852 235 HB3 GLU 30 HB3 GLU 30 48.414 64.384 42.903 236 HG2 GLU 30 HG2 GLU 30 50.303 62.636 42.810 237 HG3 GLU 30 HG3 GLU 30 51.422 63.952 42.861 238 H GLU 31 H GLU 31 49.604 66.998 40.319 239 HA GLU 31 HA GLU 31 46.868 67.744 39.870 240 HB2 GLU 31 HB2 GLU 31 49.500 68.885 38.848 241 HB3 GLU 31 HB3 GLU 31 47.941 69.674 38.624 242 HG2 GLU 31 HG2 GLU 31 47.664 69.849 41.085 243 HG3 GLU 31 HG3 GLU 31 49.177 68.995 41.322 244 H LEU 32 H LEU 32 49.301 66.333 37.627 245 HA LEU 32 HA LEU 32 47.591 66.788 35.292 246 HB2 LEU 32 HB2 LEU 32 50.143 66.666 35.092 247 HB3 LEU 32 HB3 LEU 32 50.058 64.972 35.595 248 HG LEU 32 HG LEU 32 48.673 64.483 33.537 249 HD11 LEU 32 HD11 LEU 32 49.568 67.270 32.680 250 HD12 LEU 32 HD12 LEU 32 48.627 66.060 31.753 251 HD13 LEU 32 HD13 LEU 32 47.930 66.847 33.179 252 HD21 LEU 32 HD21 LEU 32 51.554 65.214 33.636 253 HD22 LEU 32 HD22 LEU 32 50.721 63.702 33.199 254 HD23 LEU 32 HD23 LEU 32 50.833 65.030 32.026 255 H LEU 33 H LEU 33 48.426 64.117 37.447 256 HA LEU 33 HA LEU 33 46.888 62.112 36.108 257 HB2 LEU 33 HB2 LEU 33 47.776 62.695 38.906 258 HB3 LEU 33 HB3 LEU 33 46.930 61.162 38.557 259 HG LEU 33 HG LEU 33 49.591 62.116 37.489 260 HD11 LEU 33 HD11 LEU 33 49.053 59.962 39.514 261 HD12 LEU 33 HD12 LEU 33 50.579 60.163 38.612 262 HD13 LEU 33 HD13 LEU 33 49.993 61.478 39.651 263 HD21 LEU 33 HD21 LEU 33 48.771 59.305 36.950 264 HD22 LEU 33 HD22 LEU 33 48.186 60.596 35.875 265 HD23 LEU 33 HD23 LEU 33 49.910 60.453 36.140 266 H PHE 34 H PHE 34 46.007 64.401 38.816 267 HA PHE 34 HA PHE 34 43.420 63.321 39.086 268 HB2 PHE 34 HB2 PHE 34 44.646 64.990 40.651 269 HB3 PHE 34 HB3 PHE 34 43.998 66.259 39.635 270 HD1 PHE 34 HD1 PHE 34 41.359 66.421 39.502 271 HD2 PHE 34 HD2 PHE 34 43.494 64.032 42.359 272 HE1 PHE 34 HE1 PHE 34 39.268 66.127 40.834 273 HE2 PHE 34 HE2 PHE 34 41.383 63.614 43.606 274 HZ PHE 34 HZ PHE 34 39.265 64.653 42.832 275 H GLU 35 H GLU 35 44.460 66.014 36.909 276 HA GLU 35 HA GLU 35 41.752 66.560 36.073 277 HB2 GLU 35 HB2 GLU 35 42.603 68.030 34.468 278 HB3 GLU 35 HB3 GLU 35 43.550 68.192 35.953 279 HG2 GLU 35 HG2 GLU 35 45.429 67.024 34.936 280 HG3 GLU 35 HG3 GLU 35 44.486 66.709 33.473 281 H LEU 36 H LEU 36 44.152 64.272 34.925 282 HA LEU 36 HA LEU 36 42.636 63.416 32.621 283 HB2 LEU 36 HB2 LEU 36 44.960 63.247 32.622 284 HB3 LEU 36 HB3 LEU 36 45.049 62.423 34.177 285 HG LEU 36 HG LEU 36 43.516 61.066 31.984 286 HD11 LEU 36 HD11 LEU 36 46.498 61.518 32.127 287 HD12 LEU 36 HD12 LEU 36 45.788 60.095 31.288 288 HD13 LEU 36 HD13 LEU 36 45.402 61.771 30.759 289 HD21 LEU 36 HD21 LEU 36 44.531 59.040 33.014 290 HD22 LEU 36 HD22 LEU 36 45.640 60.053 33.955 291 HD23 LEU 36 HD23 LEU 36 43.911 60.033 34.337 292 H PHE 37 H PHE 37 42.978 62.214 35.973 293 HA PHE 37 HA PHE 37 41.301 59.931 35.383 294 HB2 PHE 37 HB2 PHE 37 42.812 60.818 37.861 295 HB3 PHE 37 HB3 PHE 37 41.675 59.475 37.929 296 HD1 PHE 37 HD2 PHE 37 41.802 57.765 35.944 297 HD2 PHE 37 HD1 PHE 37 45.064 60.088 37.504 298 HE1 PHE 37 HE2 PHE 37 43.423 56.137 34.972 299 HE2 PHE 37 HE1 PHE 37 46.687 58.517 36.450 300 HZ PHE 37 HZ PHE 37 45.851 56.578 35.128 301 H HIS 38 H HIS 38 40.556 63.089 36.684 302 HA HIS 38 HA HIS 38 38.038 62.273 37.869 303 HB2 HIS 38 HB2 HIS 38 39.502 64.438 38.114 304 HB3 HIS 38 HB3 HIS 38 38.496 65.026 36.775 305 HD2 HIS 38 HD2 HIS 38 38.395 63.596 40.367 306 HE1 HIS 38 HE1 HIS 38 34.992 66.105 40.091 307 HE2 HIS 38 HE2 HIS 38 36.394 64.678 41.633 308 H GLN 39 H GLN 39 39.079 62.907 34.533 309 HA GLN 39 HA GLN 39 36.490 62.815 33.272 310 HB2 GLN 39 HB2 GLN 39 39.084 61.602 32.271 311 HB3 GLN 39 HB3 GLN 39 37.682 62.047 31.313 312 HG2 GLN 39 HG2 GLN 39 39.524 63.958 32.786 313 HG3 GLN 39 HG3 GLN 39 39.432 63.684 31.055 314 HE21 GLN 39 HE22 GLN 39 39.165 66.343 31.801 315 HE22 GLN 39 HE21 GLN 39 37.449 66.759 31.875 316 H ALA 40 H ALA 40 38.461 60.325 34.809 317 HA ALA 40 HA ALA 40 36.770 58.169 33.739 318 HB1 ALA 40 HB1 ALA 40 39.181 57.994 35.579 319 HB2 ALA 40 HB2 ALA 40 38.425 56.670 34.705 320 HB3 ALA 40 HB3 ALA 40 39.295 57.940 33.792 321 H GLY 41 H GLY 41 36.007 60.218 35.899 322 HA2 GLY 41 HA2 GLY 41 33.969 59.631 37.121 323 HA3 GLY 41 HA3 GLY 41 34.821 58.219 37.774 324 HA PRO 42 HA PRO 42 35.091 61.656 40.819 325 HB2 PRO 42 HB2 PRO 42 33.705 60.617 42.891 326 HB3 PRO 42 HB3 PRO 42 32.866 61.213 41.436 327 HG2 PRO 42 HG2 PRO 42 33.438 58.309 42.099 328 HG3 PRO 42 HG3 PRO 42 31.972 59.052 41.423 329 HD2 PRO 42 HD2 PRO 42 33.999 57.908 39.871 330 HD3 PRO 42 HD3 PRO 42 32.810 59.155 39.319 331 H VAL 43 H VAL 43 37.389 60.952 40.577 332 HA VAL 43 HA VAL 43 38.664 59.032 42.210 333 HB VAL 43 HB VAL 43 39.474 61.751 41.155 334 HG11 VAL 43 HG11 VAL 43 41.529 59.796 42.251 335 HG12 VAL 43 HG12 VAL 43 41.808 61.385 41.531 336 HG13 VAL 43 HG13 VAL 43 41.016 61.298 43.089 337 HG21 VAL 43 HG21 VAL 43 39.172 60.086 39.417 338 HG22 VAL 43 HG22 VAL 43 40.866 60.584 39.590 339 HG23 VAL 43 HG23 VAL 43 40.339 59.003 40.213 340 H ILE 44 H ILE 44 39.551 59.125 44.288 341 HA ILE 44 HA ILE 44 38.475 61.072 46.246 342 HB ILE 44 HB ILE 44 40.134 58.535 46.624 343 HG12 ILE 44 HG12 ILE 44 37.777 58.043 45.970 344 HG13 ILE 44 HG13 ILE 44 38.226 57.492 47.566 345 HG21 ILE 44 HG21 ILE 44 39.174 60.587 48.601 346 HG22 ILE 44 HG22 ILE 44 39.379 58.905 49.097 347 HG23 ILE 44 HG23 ILE 44 40.765 59.791 48.456 348 HD11 ILE 44 HD11 ILE 44 36.006 58.483 47.730 349 HD12 ILE 44 HD12 ILE 44 37.105 59.605 48.525 350 HD13 ILE 44 HD13 ILE 44 36.554 59.950 46.874 351 H LYS 45 H LYS 45 41.613 59.806 45.174 352 HA LYS 45 HA LYS 45 43.171 62.159 45.817 353 HB2 LYS 45 HB2 LYS 45 44.373 61.439 47.654 354 HB3 LYS 45 HB3 LYS 45 42.796 60.899 48.094 355 HG2 LYS 45 HG2 LYS 45 44.061 58.746 46.609 356 HG3 LYS 45 HG3 LYS 45 45.291 59.459 47.619 357 HD2 LYS 45 HD2 LYS 45 42.698 58.133 48.409 358 HD3 LYS 45 HD3 LYS 45 44.365 57.569 48.684 359 HE2 LYS 45 HE2 LYS 45 44.530 59.819 50.080 360 HE3 LYS 45 HE3 LYS 45 42.767 59.648 50.169 361 HZ1 LYS 45 HZ1 LYS 45 43.017 57.568 51.305 362 HZ2 LYS 45 HZ2 LYS 45 44.649 57.569 51.117 363 HZ3 LYS 45 HZ3 LYS 45 43.959 58.641 52.055 364 H VAL 46 H VAL 46 45.306 61.830 45.285 365 HA VAL 46 HA VAL 46 45.997 59.606 43.460 366 HB VAL 46 HB VAL 46 46.537 62.557 42.809 367 HG11 VAL 46 HG11 VAL 46 48.472 61.182 42.022 368 HG12 VAL 46 HG12 VAL 46 47.338 60.059 41.246 369 HG13 VAL 46 HG13 VAL 46 47.464 61.752 40.698 370 HG21 VAL 46 HG21 VAL 46 44.292 62.011 42.185 371 HG22 VAL 46 HG22 VAL 46 45.234 61.857 40.690 372 HG23 VAL 46 HG23 VAL 46 44.769 60.406 41.582 373 H LYS 47 H LYS 47 48.211 59.201 43.369 374 HA LYS 47 HA LYS 47 49.993 60.512 45.310 375 HB2 LYS 47 HB2 LYS 47 49.486 58.492 46.526 376 HB3 LYS 47 HB3 LYS 47 49.251 57.568 45.070 377 HG2 LYS 47 HG2 LYS 47 51.236 56.721 45.937 378 HG3 LYS 47 HG3 LYS 47 51.810 57.751 44.653 379 HD2 LYS 47 HD2 LYS 47 52.230 59.609 46.280 380 HD3 LYS 47 HD3 LYS 47 51.695 58.537 47.589 381 HE2 LYS 47 HE2 LYS 47 53.956 57.841 45.668 382 HE3 LYS 47 HE3 LYS 47 54.233 58.800 47.112 383 HZ1 LYS 47 HZ1 LYS 47 53.708 57.002 48.464 384 HZ2 LYS 47 HZ2 LYS 47 52.894 56.195 47.314 385 HZ3 LYS 47 HZ3 LYS 47 54.512 56.312 47.223 386 H ILE 48 H ILE 48 51.784 61.013 44.575 387 HA ILE 48 HA ILE 48 52.974 59.626 42.234 388 HB ILE 48 HB ILE 48 53.000 62.449 43.183 389 HG12 ILE 48 HG12 ILE 48 51.554 61.558 41.274 390 HG13 ILE 48 HG13 ILE 48 52.540 62.989 40.946 391 HG21 ILE 48 HG21 ILE 48 55.322 61.313 41.662 392 HG22 ILE 48 HG22 ILE 48 54.850 63.046 41.751 393 HG23 ILE 48 HG23 ILE 48 55.298 62.184 43.228 394 HD11 ILE 48 HD11 ILE 48 53.348 60.204 40.026 395 HD12 ILE 48 HD12 ILE 48 52.496 61.417 39.050 396 HD13 ILE 48 HD13 ILE 48 54.115 61.775 39.672 397 HA PRO 49 HA PRO 49 56.216 58.257 45.199 398 HB2 PRO 49 HB2 PRO 49 57.550 56.681 43.391 399 HB3 PRO 49 HB3 PRO 49 56.088 56.143 44.260 400 HG2 PRO 49 HG2 PRO 49 56.330 57.293 41.464 401 HG3 PRO 49 HG3 PRO 49 55.322 55.893 41.996 402 HD2 PRO 49 HD2 PRO 49 54.414 58.398 41.533 403 HD3 PRO 49 HD3 PRO 49 53.662 57.357 42.768 404 H LYS 50 H LYS 50 58.630 58.294 45.102 405 HA LYS 50 HA LYS 50 59.943 59.764 43.011 406 HB2 LYS 50 HB2 LYS 50 59.715 61.019 45.756 407 HB3 LYS 50 HB3 LYS 50 61.083 61.301 44.680 408 HG2 LYS 50 HG2 LYS 50 59.067 61.679 42.892 409 HG3 LYS 50 HG3 LYS 50 58.247 62.229 44.354 410 HD2 LYS 50 HD2 LYS 50 59.913 64.007 44.617 411 HD3 LYS 50 HD3 LYS 50 60.961 63.241 43.403 412 HE2 LYS 50 HE2 LYS 50 59.263 63.588 41.660 413 HE3 LYS 50 HE3 LYS 50 58.138 64.225 42.857 414 HZ1 LYS 50 HZ1 LYS 50 59.547 66.095 43.189 415 HZ2 LYS 50 HZ2 LYS 50 60.755 65.488 42.282 416 HZ3 LYS 50 HZ3 LYS 50 59.357 65.963 41.602 417 H ASP 51 H ASP 51 61.421 58.470 42.662 418 HA ASP 51 HA ASP 51 63.144 56.840 44.203 419 HB2 ASP 51 HB2 ASP 51 62.989 57.088 41.697 420 HB3 ASP 51 HB3 ASP 51 63.712 58.701 41.863 421 H LYS 52 H LYS 52 65.333 57.225 44.829 422 HA LYS 52 HA LYS 52 65.876 59.362 46.587 423 HB2 LYS 52 HB2 LYS 52 68.229 58.595 46.374 424 HB3 LYS 52 HB3 LYS 52 67.121 57.278 46.678 425 HG2 LYS 52 HG2 LYS 52 67.998 56.181 44.944 426 HG3 LYS 52 HG3 LYS 52 67.247 57.311 43.851 427 HD2 LYS 52 HD2 LYS 52 69.170 58.590 43.552 428 HD3 LYS 52 HD3 LYS 52 69.896 58.068 45.086 429 HE2 LYS 52 HE2 LYS 52 70.287 55.871 44.344 430 HE3 LYS 52 HE3 LYS 52 69.283 56.058 42.905 431 HZ1 LYS 52 HZ1 LYS 52 71.912 57.357 43.381 432 HZ2 LYS 52 HZ2 LYS 52 71.637 56.169 42.325 433 HZ3 LYS 52 HZ3 LYS 52 70.974 57.608 42.064 434 H ASP 53 H ASP 53 66.586 59.035 43.104 435 HA ASP 53 HA ASP 53 67.896 61.562 42.915 436 HB2 ASP 53 HB2 ASP 53 68.196 59.525 41.476 437 HB3 ASP 53 HB3 ASP 53 66.686 59.900 40.657 438 H GLY 54 H GLY 54 64.528 60.783 43.263 439 HA2 GLY 54 HA2 GLY 54 62.899 62.329 43.632 440 HA3 GLY 54 HA3 GLY 54 63.805 63.577 42.764 441 H LYS 55 H LYS 55 62.727 60.337 41.701 442 HA LYS 55 HA LYS 55 60.917 61.607 39.712 443 HB2 LYS 55 HB2 LYS 55 63.167 60.949 38.815 444 HB3 LYS 55 HB3 LYS 55 62.787 59.269 39.230 445 HG2 LYS 55 HG2 LYS 55 62.198 59.354 36.926 446 HG3 LYS 55 HG3 LYS 55 60.658 59.603 37.703 447 HD2 LYS 55 HD2 LYS 55 60.602 61.364 36.195 448 HD3 LYS 55 HD3 LYS 55 61.315 62.176 37.593 449 HE2 LYS 55 HE2 LYS 55 63.593 61.491 36.592 450 HE3 LYS 55 HE3 LYS 55 62.698 61.200 35.094 451 HZ1 LYS 55 HZ1 LYS 55 63.546 63.530 35.317 452 HZ2 LYS 55 HZ2 LYS 55 61.942 63.442 35.106 453 HZ3 LYS 55 HZ3 LYS 55 62.514 63.759 36.573 454 HA PRO 56 HA PRO 56 57.995 58.650 41.147 455 HB2 PRO 56 HB2 PRO 56 56.202 58.829 38.924 456 HB3 PRO 56 HB3 PRO 56 56.215 59.863 40.404 457 HG2 PRO 56 HG2 PRO 56 57.238 60.285 37.668 458 HG3 PRO 56 HG3 PRO 56 56.648 61.529 38.815 459 HD2 PRO 56 HD2 PRO 56 59.340 61.211 38.357 460 HD3 PRO 56 HD3 PRO 56 58.672 61.698 39.939 461 H LYS 57 H LYS 57 60.171 57.614 39.195 462 HA LYS 57 HA LYS 57 60.663 55.726 38.057 463 HB2 LYS 57 HB2 LYS 57 58.613 54.361 39.872 464 HB3 LYS 57 HB3 LYS 57 60.034 53.658 39.091 465 HG2 LYS 57 HG2 LYS 57 60.784 53.840 41.179 466 HG3 LYS 57 HG3 LYS 57 61.315 55.427 40.615 467 HD2 LYS 57 HD2 LYS 57 59.278 56.461 41.678 468 HD3 LYS 57 HD3 LYS 57 58.715 54.855 42.157 469 HE2 LYS 57 HE2 LYS 57 61.402 55.951 42.966 470 HE3 LYS 57 HE3 LYS 57 59.953 56.216 43.954 471 HZ1 LYS 57 HZ1 LYS 57 61.339 53.743 43.315 472 HZ2 LYS 57 HZ2 LYS 57 60.920 54.278 44.783 473 HZ3 LYS 57 HZ3 LYS 57 59.784 53.643 43.807 474 H GLN 58 H GLN 58 58.254 57.279 37.032 475 HA GLN 58 HA GLN 58 56.956 57.274 35.275 476 HB2 GLN 58 HB2 GLN 58 58.337 54.688 34.510 477 HB3 GLN 58 HB3 GLN 58 56.963 55.347 33.629 478 HG2 GLN 58 HG2 GLN 58 58.441 57.539 33.506 479 HG3 GLN 58 HG3 GLN 58 59.762 56.443 33.965 480 HE21 GLN 58 HE21 GLN 58 57.226 56.939 31.421 481 HE22 GLN 58 HE22 GLN 58 58.134 56.013 30.244 482 H PHE 59 H PHE 59 56.008 56.464 37.828 483 HA PHE 59 HA PHE 59 53.536 55.068 37.116 484 HB2 PHE 59 HB2 PHE 59 53.854 53.112 37.924 485 HB3 PHE 59 HB3 PHE 59 55.562 53.463 37.868 486 HD1 PHE 59 HD1 PHE 59 52.565 52.921 39.912 487 HD2 PHE 59 HD2 PHE 59 56.740 53.945 40.076 488 HE1 PHE 59 HE1 PHE 59 52.526 52.578 42.339 489 HE2 PHE 59 HE2 PHE 59 56.756 53.364 42.522 490 HZ PHE 59 HZ PHE 59 54.658 52.775 43.662 491 H ALA 60 H ALA 60 51.919 55.062 38.753 492 HA ALA 60 HA ALA 60 52.191 56.692 41.147 493 HB1 ALA 60 HB1 ALA 60 50.354 58.238 40.330 494 HB2 ALA 60 HB2 ALA 60 51.892 58.419 39.463 495 HB3 ALA 60 HB3 ALA 60 50.536 57.515 38.723 496 H PHE 61 H PHE 61 50.062 56.920 42.183 497 HA PHE 61 HA PHE 61 48.257 54.606 41.691 498 HB2 PHE 61 HB2 PHE 61 49.552 55.581 44.251 499 HB3 PHE 61 HB3 PHE 61 47.909 55.025 44.366 500 HD1 PHE 61 HD1 PHE 61 47.519 52.502 43.276 501 HD2 PHE 61 HD2 PHE 61 51.280 54.147 44.617 502 HE1 PHE 61 HE1 PHE 61 48.418 50.222 43.585 503 HE2 PHE 61 HE2 PHE 61 52.110 51.864 45.071 504 HZ PHE 61 HZ PHE 61 50.696 49.890 44.506 505 H VAL 62 H VAL 62 46.067 54.888 42.146 506 HA VAL 62 HA VAL 62 45.103 57.642 42.729 507 HB VAL 62 HB VAL 62 44.365 55.921 40.317 508 HG11 VAL 62 HG11 VAL 62 43.283 58.711 40.781 509 HG12 VAL 62 HG12 VAL 62 42.884 57.529 39.509 510 HG13 VAL 62 HG13 VAL 62 42.321 57.252 41.144 511 HG21 VAL 62 HG21 VAL 62 45.850 58.541 40.705 512 HG22 VAL 62 HG22 VAL 62 46.422 57.070 39.889 513 HG23 VAL 62 HG23 VAL 62 45.196 58.094 39.117 514 H ASN 63 H ASN 63 42.988 57.709 43.647 515 HA ASN 63 HA ASN 63 42.098 55.023 44.592 516 HB2 ASN 63 HB2 ASN 63 43.401 56.476 46.261 517 HB3 ASN 63 HB3 ASN 63 42.028 57.554 46.250 518 HD21 ASN 63 HD22 ASN 63 43.094 54.226 47.079 519 HD22 ASN 63 HD21 ASN 63 41.685 53.889 48.062 520 H PHE 64 H PHE 64 40.082 54.471 44.646 521 HA PHE 64 HA PHE 64 37.821 56.385 44.368 522 HB2 PHE 64 HB2 PHE 64 38.198 53.729 42.929 523 HB3 PHE 64 HB3 PHE 64 36.698 54.627 42.999 524 HD1 PHE 64 HD2 PHE 64 36.226 56.511 41.669 525 HD2 PHE 64 HD1 PHE 64 40.058 54.550 41.350 526 HE1 PHE 64 HE2 PHE 64 36.668 57.715 39.563 527 HE2 PHE 64 HE1 PHE 64 40.468 55.726 39.217 528 HZ PHE 64 HZ PHE 64 38.765 57.296 38.304 529 H LYS 65 H LYS 65 35.910 55.728 45.407 530 HA LYS 65 HA LYS 65 36.077 53.932 47.734 531 HB2 LYS 65 HB2 LYS 65 35.378 56.200 48.165 532 HB3 LYS 65 HB3 LYS 65 34.136 56.136 46.900 533 HG2 LYS 65 HG2 LYS 65 32.779 54.658 48.069 534 HG3 LYS 65 HG3 LYS 65 34.060 54.277 49.260 535 HD2 LYS 65 HD2 LYS 65 33.953 56.618 50.078 536 HD3 LYS 65 HD3 LYS 65 32.697 56.979 48.877 537 HE2 LYS 65 HE2 LYS 65 31.612 56.619 50.926 538 HE3 LYS 65 HE3 LYS 65 31.272 55.173 49.967 539 HZ1 LYS 65 HZ1 LYS 65 31.951 54.611 52.214 540 HZ2 LYS 65 HZ2 LYS 65 33.058 54.043 51.188 541 HZ3 LYS 65 HZ3 LYS 65 33.364 55.411 52.040 542 H HIS 66 H HIS 66 34.626 52.276 48.153 543 HA HIS 66 HA HIS 66 33.607 50.315 47.593 544 HB2 HIS 66 HB2 HIS 66 31.813 51.893 48.270 545 HB3 HIS 66 HB3 HIS 66 31.428 52.132 46.579 546 HD2 HIS 66 HD2 HIS 66 29.036 51.075 46.850 547 HE1 HIS 66 HE1 HIS 66 30.170 47.069 47.655 548 HE2 HIS 66 HE2 HIS 66 28.268 48.571 46.980 549 H GLU 67 H GLU 67 35.440 50.117 46.070 550 HA GLU 67 HA GLU 67 35.167 50.500 43.300 551 HB2 GLU 67 HB2 GLU 67 37.126 48.967 45.022 552 HB3 GLU 67 HB3 GLU 67 37.130 48.706 43.289 553 HG2 GLU 67 HG2 GLU 67 37.107 51.535 44.288 554 HG3 GLU 67 HG3 GLU 67 38.605 50.605 44.320 555 H VAL 68 H VAL 68 35.219 49.116 41.569 556 HA VAL 68 HA VAL 68 33.844 46.506 41.819 557 HB VAL 68 HB VAL 68 32.649 47.016 39.685 558 HG11 VAL 68 HG11 VAL 68 31.791 48.602 42.125 559 HG12 VAL 68 HG12 VAL 68 30.752 48.104 40.775 560 HG13 VAL 68 HG13 VAL 68 31.488 46.875 41.809 561 HG21 VAL 68 HG21 VAL 68 33.262 49.946 40.286 562 HG22 VAL 68 HG22 VAL 68 33.529 49.053 38.761 563 HG23 VAL 68 HG23 VAL 68 31.902 49.387 39.311 564 H SER 69 H SER 69 34.247 45.027 40.173 565 HA SER 69 HA SER 69 36.792 44.966 38.953 566 HB2 SER 69 HB2 SER 69 35.812 43.212 37.473 567 HB3 SER 69 HB3 SER 69 35.533 42.899 39.202 568 HG SER 69 HG SER 69 33.580 44.249 37.761 569 H VAL 70 H VAL 70 37.473 45.212 36.847 570 HA VAL 70 HA VAL 70 37.891 46.315 34.984 571 HB VAL 70 HB VAL 70 34.926 46.379 34.467 572 HG11 VAL 70 HG11 VAL 70 36.256 47.767 32.974 573 HG12 VAL 70 HG12 VAL 70 37.334 46.398 32.599 574 HG13 VAL 70 HG13 VAL 70 35.619 46.352 32.125 575 HG21 VAL 70 HG21 VAL 70 37.000 44.177 33.998 576 HG22 VAL 70 HG22 VAL 70 35.541 44.087 35.009 577 HG23 VAL 70 HG23 VAL 70 35.383 44.209 33.258 578 HA PRO 71 HA PRO 71 37.825 50.566 37.001 579 HB2 PRO 71 HB2 PRO 71 40.266 50.190 35.283 580 HB3 PRO 71 HB3 PRO 71 40.065 51.144 36.785 581 HG2 PRO 71 HG2 PRO 71 41.153 48.628 36.890 582 HG3 PRO 71 HG3 PRO 71 39.982 49.165 38.132 583 HD2 PRO 71 HD2 PRO 71 39.549 47.246 35.915 584 HD3 PRO 71 HD3 PRO 71 38.779 47.401 37.508 585 H TYR 72 H TYR 72 36.688 52.182 36.120 586 HA TYR 72 HA TYR 72 35.974 52.440 33.419 587 HB2 TYR 72 HB2 TYR 72 34.896 53.437 35.490 588 HB3 TYR 72 HB3 TYR 72 36.043 54.756 35.369 589 HD1 TYR 72 HD2 TYR 72 33.277 52.946 33.637 590 HD2 TYR 72 HD1 TYR 72 35.795 56.413 33.565 591 HE1 TYR 72 HE2 TYR 72 31.654 54.071 32.135 592 HE2 TYR 72 HE1 TYR 72 34.203 57.547 32.019 593 HH TYR 72 HH TYR 72 32.143 57.362 30.932 594 H ALA 73 H ALA 73 38.824 54.039 35.065 595 HA ALA 73 HA ALA 73 39.522 55.697 32.875 596 HB1 ALA 73 HB1 ALA 73 41.480 54.315 34.763 597 HB2 ALA 73 HB2 ALA 73 41.783 55.724 33.730 598 HB3 ALA 73 HB3 ALA 73 40.728 55.900 35.109 599 H MET 74 H MET 74 40.016 52.210 33.333 600 HA MET 74 HA MET 74 42.133 51.992 31.437 601 HB2 MET 74 HB2 MET 74 41.774 50.386 33.254 602 HB3 MET 74 HB3 MET 74 40.250 49.846 32.565 603 HG2 MET 74 HG2 MET 74 42.101 48.300 32.253 604 HG3 MET 74 HG3 MET 74 41.478 48.816 30.696 605 HE1 MET 74 HE1 MET 74 43.323 47.960 29.456 606 HE2 MET 74 HE2 MET 74 45.049 48.353 29.612 607 HE3 MET 74 HE3 MET 74 44.242 47.357 30.858 608 H ASN 75 H ASN 75 38.673 52.139 30.989 609 HA ASN 75 HA ASN 75 38.832 51.384 28.123 610 HB2 ASN 75 HB2 ASN 75 36.934 50.640 29.484 611 HB3 ASN 75 HB3 ASN 75 36.555 52.297 29.917 612 HD21 ASN 75 HD22 ASN 75 35.293 53.489 28.371 613 HD22 ASN 75 HD21 ASN 75 34.904 52.873 26.774 614 H LEU 76 H LEU 76 39.334 54.231 29.975 615 HA LEU 76 HA LEU 76 37.864 56.004 28.107 616 HB2 LEU 76 HB2 LEU 76 37.450 55.659 30.642 617 HB3 LEU 76 HB3 LEU 76 38.927 56.562 30.913 618 HG LEU 76 HG LEU 76 36.780 57.681 31.339 619 HD11 LEU 76 HD11 LEU 76 38.271 59.269 29.233 620 HD12 LEU 76 HD12 LEU 76 37.207 59.878 30.495 621 HD13 LEU 76 HD13 LEU 76 38.716 59.118 30.965 622 HD21 LEU 76 HD21 LEU 76 35.682 56.618 29.306 623 HD22 LEU 76 HD22 LEU 76 35.211 58.260 29.755 624 HD23 LEU 76 HD23 LEU 76 36.312 57.990 28.375 625 H LEU 77 H LEU 77 40.898 55.637 29.826 626 HA LEU 77 HA LEU 77 42.222 57.597 28.053 627 HB2 LEU 77 HB2 LEU 77 43.186 56.655 30.756 628 HB3 LEU 77 HB3 LEU 77 43.884 57.890 29.683 629 HG LEU 77 HG LEU 77 43.081 59.109 31.336 630 HD11 LEU 77 HD11 LEU 77 41.015 60.338 30.651 631 HD12 LEU 77 HD12 LEU 77 42.046 60.038 29.242 632 HD13 LEU 77 HD13 LEU 77 40.598 59.069 29.506 633 HD21 LEU 77 HD21 LEU 77 40.671 57.392 31.744 634 HD22 LEU 77 HD22 LEU 77 42.140 57.618 32.758 635 HD23 LEU 77 HD23 LEU 77 41.022 58.939 32.574 636 H ASN 78 H ASN 78 44.055 55.246 29.961 637 HA ASN 78 HA ASN 78 45.864 53.988 29.163 638 HB2 ASN 78 HB2 ASN 78 44.581 52.327 29.964 639 HB3 ASN 78 HB3 ASN 78 43.309 52.512 28.736 640 HD21 ASN 78 HD22 ASN 78 46.921 52.151 28.136 641 HD22 ASN 78 HD21 ASN 78 46.619 50.623 27.366 642 H GLY 79 H GLY 79 46.495 55.750 27.663 643 HA2 GLY 79 HA2 GLY 79 47.719 54.968 25.442 644 HA3 GLY 79 HA3 GLY 79 46.055 55.067 24.797 645 H ILE 80 H ILE 80 47.041 57.510 27.083 646 HA ILE 80 HA ILE 80 46.851 59.475 24.853 647 HB ILE 80 HB ILE 80 44.977 60.633 25.892 648 HG12 ILE 80 HG12 ILE 80 43.984 58.975 27.866 649 HG13 ILE 80 HG13 ILE 80 45.734 59.126 28.229 650 HG21 ILE 80 HG21 ILE 80 44.482 57.622 25.679 651 HG22 ILE 80 HG22 ILE 80 43.230 58.839 25.738 652 HG23 ILE 80 HG23 ILE 80 44.394 58.843 24.381 653 HD11 ILE 80 HD11 ILE 80 43.990 61.554 27.647 654 HD12 ILE 80 HD12 ILE 80 44.093 60.817 29.251 655 HD13 ILE 80 HD13 ILE 80 45.557 61.483 28.471 656 H LYS 81 H LYS 81 47.559 61.615 25.310 657 HA LYS 81 HA LYS 81 48.604 62.291 27.909 658 HB2 LYS 81 HB2 LYS 81 51.054 62.554 26.871 659 HB3 LYS 81 HB3 LYS 81 50.481 61.105 27.630 660 HG2 LYS 81 HG2 LYS 81 51.654 60.447 25.625 661 HG3 LYS 81 HG3 LYS 81 49.939 60.158 25.332 662 HD2 LYS 81 HD2 LYS 81 49.762 62.287 24.120 663 HD3 LYS 81 HD3 LYS 81 51.494 62.611 24.463 664 HE2 LYS 81 HE2 LYS 81 52.047 60.498 23.256 665 HE3 LYS 81 HE3 LYS 81 50.343 60.347 22.793 666 HZ1 LYS 81 HZ1 LYS 81 51.995 62.723 22.183 667 HZ2 LYS 81 HZ2 LYS 81 51.633 61.589 21.073 668 HZ3 LYS 81 HZ3 LYS 81 50.482 62.512 21.743 669 H LEU 82 H LEU 82 49.987 64.219 27.854 670 HA LEU 82 HA LEU 82 49.523 66.199 25.699 671 HB2 LEU 82 HB2 LEU 82 47.834 66.460 27.533 672 HB3 LEU 82 HB3 LEU 82 49.125 66.542 28.719 673 HG LEU 82 HG LEU 82 49.895 68.696 27.459 674 HD11 LEU 82 HD11 LEU 82 47.036 68.552 26.400 675 HD12 LEU 82 HD12 LEU 82 48.303 69.745 26.009 676 HD13 LEU 82 HD13 LEU 82 48.444 68.077 25.444 677 HD21 LEU 82 HD21 LEU 82 48.947 68.845 29.648 678 HD22 LEU 82 HD22 LEU 82 48.272 70.113 28.628 679 HD23 LEU 82 HD23 LEU 82 47.296 68.683 29.039 680 H TYR 83 H TYR 83 51.600 64.783 28.051 681 HA TYR 83 HA TYR 83 53.658 66.918 27.850 682 HB2 TYR 83 HB2 TYR 83 53.334 64.531 29.713 683 HB3 TYR 83 HB3 TYR 83 54.815 65.414 29.581 684 HD1 TYR 83 HD1 TYR 83 51.501 67.140 29.544 685 HD2 TYR 83 HD2 TYR 83 54.921 66.035 31.939 686 HE1 TYR 83 HE1 TYR 83 50.720 68.617 31.360 687 HE2 TYR 83 HE2 TYR 83 54.031 67.387 33.822 688 HH TYR 83 HH TYR 83 51.146 69.398 33.445 689 H GLY 84 H GLY 84 53.240 63.435 27.222 690 HA2 GLY 84 HA2 GLY 84 55.063 63.267 25.062 691 HA3 GLY 84 HA3 GLY 84 56.010 62.962 26.526 692 H ARG 85 H ARG 85 54.401 61.389 28.032 693 HA ARG 85 HA ARG 85 54.438 58.792 26.514 694 HB2 ARG 85 HB2 ARG 85 55.011 59.380 29.455 695 HB3 ARG 85 HB3 ARG 85 54.857 57.791 28.726 696 HG2 ARG 85 HG2 ARG 85 57.106 58.068 28.930 697 HG3 ARG 85 HG3 ARG 85 56.704 58.224 27.209 698 HD2 ARG 85 HD2 ARG 85 57.006 60.716 27.471 699 HD3 ARG 85 HD3 ARG 85 57.597 60.399 29.125 700 HE ARG 85 HE ARG 85 58.944 58.699 27.229 701 HH11 ARG 85 HH11 ARG 85 58.868 62.113 28.068 702 HH12 ARG 85 HH12 ARG 85 60.426 62.353 27.316 703 HH21 ARG 85 HH21 ARG 85 60.871 59.261 26.176 704 HH22 ARG 85 HH22 ARG 85 61.602 60.787 26.570 705 HA PRO 86 HA PRO 86 50.184 58.931 27.353 706 HB2 PRO 86 HB2 PRO 86 49.369 56.525 26.311 707 HB3 PRO 86 HB3 PRO 86 49.839 57.944 25.295 708 HG2 PRO 86 HG2 PRO 86 51.623 55.622 26.183 709 HG3 PRO 86 HG3 PRO 86 51.351 56.243 24.502 710 HD2 PRO 86 HD2 PRO 86 53.458 57.015 25.943 711 HD3 PRO 86 HD3 PRO 86 52.514 58.246 25.044 712 H ILE 87 H ILE 87 49.101 58.557 29.209 713 HA ILE 87 HA ILE 87 49.961 56.901 31.299 714 HB ILE 87 HB ILE 87 47.321 58.220 30.600 715 HG12 ILE 87 HG12 ILE 87 49.233 59.671 31.145 716 HG13 ILE 87 HG13 ILE 87 47.943 59.803 32.340 717 HG21 ILE 87 HG21 ILE 87 47.978 56.530 33.025 718 HG22 ILE 87 HG22 ILE 87 46.694 57.785 33.074 719 HG23 ILE 87 HG23 ILE 87 46.564 56.406 31.980 720 HD11 ILE 87 HD11 ILE 87 50.499 58.174 32.749 721 HD12 ILE 87 HD12 ILE 87 50.184 59.809 33.336 722 HD13 ILE 87 HD13 ILE 87 49.191 58.431 33.916 723 H LYS 88 H LYS 88 50.059 54.867 31.550 724 HA LYS 88 HA LYS 88 48.125 53.077 30.282 725 HB2 LYS 88 HB2 LYS 88 50.598 52.911 29.846 726 HB3 LYS 88 HB3 LYS 88 50.863 52.585 31.555 727 HG2 LYS 88 HG2 LYS 88 50.936 50.604 30.098 728 HG3 LYS 88 HG3 LYS 88 49.835 50.513 31.501 729 HD2 LYS 88 HD2 LYS 88 47.932 50.974 30.010 730 HD3 LYS 88 HD3 LYS 88 49.054 50.983 28.599 731 HE2 LYS 88 HE2 LYS 88 48.538 48.650 30.462 732 HE3 LYS 88 HE3 LYS 88 47.802 48.880 28.842 733 HZ1 LYS 88 HZ1 LYS 88 50.144 49.050 28.063 734 HZ2 LYS 88 HZ2 LYS 88 50.616 48.342 29.430 735 HZ3 LYS 88 HZ3 LYS 88 49.613 47.548 28.407 736 H ILE 89 H ILE 89 46.487 52.442 31.503 737 HA ILE 89 HA ILE 89 46.719 52.345 34.454 738 HB ILE 89 HB ILE 89 44.370 52.005 32.593 739 HG12 ILE 89 HG12 ILE 89 43.803 53.987 34.421 740 HG13 ILE 89 HG13 ILE 89 45.540 54.205 34.277 741 HG21 ILE 89 HG21 ILE 89 44.831 51.444 35.522 742 HG22 ILE 89 HG22 ILE 89 43.239 52.009 35.037 743 HG23 ILE 89 HG23 ILE 89 43.896 50.503 34.342 744 HD11 ILE 89 HD11 ILE 89 43.559 54.251 31.966 745 HD12 ILE 89 HD12 ILE 89 44.339 55.647 32.734 746 HD13 ILE 89 HD13 ILE 89 45.318 54.477 31.828 747 H GLN 90 H GLN 90 46.559 50.402 35.749 748 HA GLN 90 HA GLN 90 46.630 47.799 34.404 749 HB2 GLN 90 HB2 GLN 90 48.703 48.400 36.547 750 HB3 GLN 90 HB3 GLN 90 48.654 47.050 35.434 751 HG2 GLN 90 HG2 GLN 90 49.094 48.768 33.579 752 HG3 GLN 90 HG3 GLN 90 49.288 49.942 34.903 753 HE21 GLN 90 HE22 GLN 90 51.419 49.601 33.258 754 HE22 GLN 90 HE21 GLN 90 52.698 48.876 34.229 755 H PHE 91 H PHE 91 46.488 46.010 35.885 756 HA PHE 91 HA PHE 91 46.041 46.441 38.718 757 HB2 PHE 91 HB2 PHE 91 43.768 46.899 37.543 758 HB3 PHE 91 HB3 PHE 91 43.690 45.153 37.300 759 HD1 PHE 91 HD1 PHE 91 43.413 43.634 39.231 760 HD2 PHE 91 HD2 PHE 91 43.585 47.911 39.708 761 HE1 PHE 91 HE1 PHE 91 42.788 43.383 41.600 762 HE2 PHE 91 HE2 PHE 91 42.767 47.677 42.045 763 HZ PHE 91 HZ PHE 91 42.514 45.400 43.041 764 H ARG 92 H ARG 92 46.025 44.526 39.980 765 HA ARG 92 HA ARG 92 47.910 42.525 39.147 766 HB2 ARG 92 HB2 ARG 92 47.518 43.716 41.382 767 HB3 ARG 92 HB3 ARG 92 46.144 42.660 41.621 768 HG2 ARG 92 HG2 ARG 92 49.100 41.942 41.508 769 HG3 ARG 92 HG3 ARG 92 48.083 42.013 42.933 770 HD2 ARG 92 HD2 ARG 92 47.862 40.005 40.681 771 HD3 ARG 92 HD3 ARG 92 48.568 39.711 42.255 772 HE ARG 92 HE ARG 92 45.723 39.665 41.626 773 HH11 ARG 92 HH11 ARG 92 48.104 40.029 44.239 774 HH12 ARG 92 HH12 ARG 92 46.884 39.751 45.435 775 HH21 ARG 92 HH21 ARG 92 44.272 39.294 43.430 776 HH22 ARG 92 HH22 ARG 92 45.001 39.420 45.036 777 H SER 93 H SER 93 47.505 40.641 38.056 778 HA SER 93 HA SER 93 44.927 39.765 37.453 779 HB2 SER 93 HB2 SER 93 47.269 39.206 36.313 780 HB3 SER 93 HB3 SER 93 47.115 37.706 37.265 781 HG SER 93 HG SER 93 45.489 38.811 35.342 782 H GLY 94 H GLY 94 43.768 37.929 37.828 783 HA2 GLY 94 HA2 GLY 94 43.849 35.772 39.241 784 HA3 GLY 94 HA3 GLY 94 43.855 36.858 40.623 785 H SER 95 H SER 95 41.835 38.280 38.297 786 HA SER 95 HA SER 95 39.552 38.537 38.250 787 HB2 SER 95 HB2 SER 95 40.107 35.792 37.126 788 HB3 SER 95 HB3 SER 95 38.541 36.605 36.987 789 HG SER 95 HG SER 95 40.290 36.950 35.363 790 H SER 96 H SER 96 39.740 38.477 40.722 791 HA SER 96 HA SER 96 37.404 37.228 41.829 792 HB2 SER 96 HB2 SER 96 38.406 35.605 43.308 793 HB3 SER 96 HB3 SER 96 38.941 35.259 41.656 794 HG SER 96 HG SER 96 40.877 35.836 42.115 795 H HIS 97 H HIS 97 37.089 37.714 44.126 796 HA HIS 97 HA HIS 97 38.777 39.908 45.277 797 HB2 HIS 97 HB2 HIS 97 35.927 39.239 46.094 798 HB3 HIS 97 HB3 HIS 97 36.904 40.657 46.473 799 HD2 HIS 97 HD2 HIS 97 37.997 41.805 44.067 800 HE1 HIS 97 HE1 HIS 97 34.215 41.671 42.154 801 HE2 HIS 97 HE2 HIS 97 36.527 42.718 42.134 802 H ALA 98 H ALA 98 38.840 39.794 47.757 803 HA ALA 98 HA ALA 98 38.932 36.952 48.647 804 HB1 ALA 98 HB1 ALA 98 41.111 37.909 48.745 805 HB2 ALA 98 HB2 ALA 98 40.524 39.326 49.644 806 HB3 ALA 98 HB3 ALA 98 40.498 37.705 50.387 807 HA PRO 99 HA PRO 99 35.718 38.039 51.640 808 HB2 PRO 99 HB2 PRO 99 35.882 35.998 53.381 809 HB3 PRO 99 HB3 PRO 99 35.431 35.698 51.686 810 HG2 PRO 99 HG2 PRO 99 38.186 35.437 52.944 811 HG3 PRO 99 HG3 PRO 99 37.344 34.228 51.926 812 HD2 PRO 99 HD2 PRO 99 39.193 36.018 50.969 813 HD3 PRO 99 HD3 PRO 99 37.872 35.399 49.960 814 H GLN 100 H GLN 100 35.620 38.797 53.936 815 HA GLN 100 HA GLN 100 38.165 39.360 55.301 816 HB2 GLN 100 HB2 GLN 100 37.097 41.272 54.038 817 HB3 GLN 100 HB3 GLN 100 35.603 41.001 54.913 818 HG2 GLN 100 HG2 GLN 100 36.749 42.851 55.815 819 HG3 GLN 100 HG3 GLN 100 36.743 41.537 57.020 820 HE21 GLN 100 HE22 GLN 100 38.600 42.604 58.084 821 HE22 GLN 100 HE21 GLN 100 40.163 42.678 57.285 822 H ASP 101 H ASP 101 35.138 37.828 55.372 823 HA ASP 101 HA ASP 101 34.923 37.661 58.324 824 HB2 ASP 101 HB2 ASP 101 33.082 36.733 56.119 825 HB3 ASP 101 HB3 ASP 101 32.697 36.754 57.836 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 51.291 51.794 21.696 2 H2 GLY 1 H2 GLY 1 51.397 51.560 23.311 3 H3 GLY 1 H3 GLY 1 50.616 50.465 22.355 4 HA2 GLY 1 HA2 GLY 1 52.642 49.897 21.249 5 HA3 GLY 1 HA3 GLY 1 53.480 51.078 22.280 6 H SER 2 H SER 2 53.119 47.944 21.845 7 HA SER 2 HA SER 2 53.412 47.103 24.695 8 HB2 SER 2 HB2 SER 2 51.031 46.912 23.837 9 HB3 SER 2 HB3 SER 2 51.625 45.720 22.673 10 HG SER 2 HG SER 2 51.114 44.594 24.356 11 H GLU 3 H GLU 3 53.654 44.418 24.127 12 HA GLU 3 HA GLU 3 55.788 44.019 22.121 13 HB2 GLU 3 HB2 GLU 3 55.928 43.487 25.113 14 HB3 GLU 3 HB3 GLU 3 56.867 42.508 23.967 15 HG2 GLU 3 HG2 GLU 3 58.130 44.405 23.255 16 HG3 GLU 3 HG3 GLU 3 57.186 45.511 24.262 17 H PHE 4 H PHE 4 55.813 41.926 21.320 18 HA PHE 4 HA PHE 4 53.422 40.616 20.839 19 HB2 PHE 4 HB2 PHE 4 54.597 38.858 19.850 20 HB3 PHE 4 HB3 PHE 4 55.523 40.341 19.543 21 HD1 PHE 4 HD1 PHE 4 57.639 40.683 20.965 22 HD2 PHE 4 HD2 PHE 4 55.528 36.954 20.737 23 HE1 PHE 4 HE1 PHE 4 59.567 39.523 22.041 24 HE2 PHE 4 HE2 PHE 4 57.525 35.760 21.658 25 HZ PHE 4 HZ PHE 4 59.492 37.066 22.410 26 H GLU 5 H GLU 5 55.791 39.688 23.307 27 HA GLU 5 HA GLU 5 53.631 38.342 24.821 28 HB2 GLU 5 HB2 GLU 5 56.330 37.319 24.008 29 HB3 GLU 5 HB3 GLU 5 55.638 36.818 25.583 30 HG2 GLU 5 HG2 GLU 5 54.324 36.447 22.865 31 HG3 GLU 5 HG3 GLU 5 55.301 35.244 23.700 32 H LEU 6 H LEU 6 53.540 38.973 26.813 33 HA LEU 6 HA LEU 6 55.777 40.314 28.192 34 HB2 LEU 6 HB2 LEU 6 53.434 41.635 27.037 35 HB3 LEU 6 HB3 LEU 6 53.432 41.843 28.766 36 HG LEU 6 HG LEU 6 55.814 42.522 26.981 37 HD11 LEU 6 HD11 LEU 6 53.566 44.366 27.912 38 HD12 LEU 6 HD12 LEU 6 55.040 44.851 27.025 39 HD13 LEU 6 HD13 LEU 6 53.836 43.824 26.253 40 HD21 LEU 6 HD21 LEU 6 55.204 43.405 29.838 41 HD22 LEU 6 HD22 LEU 6 56.611 42.474 29.236 42 HD23 LEU 6 HD23 LEU 6 56.398 44.153 28.785 43 H ARG 7 H ARG 7 55.063 40.902 30.452 44 HA ARG 7 HA ARG 7 54.083 38.491 31.849 45 HB2 ARG 7 HB2 ARG 7 54.840 39.365 33.790 46 HB3 ARG 7 HB3 ARG 7 56.057 39.232 32.479 47 HG2 ARG 7 HG2 ARG 7 54.969 41.888 32.463 48 HG3 ARG 7 HG3 ARG 7 55.305 41.410 34.163 49 HD2 ARG 7 HD2 ARG 7 57.625 40.857 33.507 50 HD3 ARG 7 HD3 ARG 7 57.199 41.115 31.808 51 HE ARG 7 HE ARG 7 56.970 43.374 33.799 52 HH11 ARG 7 HH11 ARG 7 58.515 42.104 30.921 53 HH12 ARG 7 HH12 ARG 7 59.198 43.645 30.523 54 HH21 ARG 7 HH21 ARG 7 57.943 45.203 33.305 55 HH22 ARG 7 HH22 ARG 7 59.020 45.381 31.922 56 H ARG 8 H ARG 8 52.341 38.240 32.830 57 HA ARG 8 HA ARG 8 50.628 40.156 34.096 58 HB2 ARG 8 HB2 ARG 8 48.720 40.185 32.681 59 HB3 ARG 8 HB3 ARG 8 50.112 40.765 31.811 60 HG2 ARG 8 HG2 ARG 8 50.246 38.674 30.500 61 HG3 ARG 8 HG3 ARG 8 48.787 38.061 31.333 62 HD2 ARG 8 HD2 ARG 8 47.492 39.941 30.660 63 HD3 ARG 8 HD3 ARG 8 48.894 40.761 29.965 64 HE ARG 8 HE ARG 8 48.888 38.520 28.434 65 HH11 ARG 8 HH11 ARG 8 46.060 40.659 29.198 66 HH12 ARG 8 HH12 ARG 8 45.411 40.265 27.629 67 HH21 ARG 8 HH21 ARG 8 47.688 37.987 26.767 68 HH22 ARG 8 HH22 ARG 8 46.128 38.677 26.472 69 H GLN 9 H GLN 9 51.360 36.867 33.438 70 HA GLN 9 HA GLN 9 48.823 35.882 34.711 71 HB2 GLN 9 HB2 GLN 9 50.510 34.219 32.847 72 HB3 GLN 9 HB3 GLN 9 48.827 34.034 33.330 73 HG2 GLN 9 HG2 GLN 9 48.329 36.201 32.142 74 HG3 GLN 9 HG3 GLN 9 49.912 36.041 31.319 75 HE21 GLN 9 HE22 GLN 9 50.200 33.970 29.978 76 HE22 GLN 9 HE21 GLN 9 48.792 33.244 29.296 77 H GLN 10 H GLN 10 52.273 35.735 35.027 78 HA GLN 10 HA GLN 10 52.385 33.100 36.264 79 HB2 GLN 10 HB2 GLN 10 54.569 35.178 35.982 80 HB3 GLN 10 HB3 GLN 10 54.731 33.474 36.444 81 HG2 GLN 10 HG2 GLN 10 53.773 32.831 34.225 82 HG3 GLN 10 HG3 GLN 10 53.815 34.541 33.755 83 HE21 GLN 10 HE22 GLN 10 55.838 31.815 34.916 84 HE22 GLN 10 HE21 GLN 10 57.359 32.540 34.377 85 H ALA 11 H ALA 11 50.726 35.239 37.428 86 HA ALA 11 HA ALA 11 51.515 35.331 40.262 87 HB1 ALA 11 HB1 ALA 11 52.752 37.165 38.962 88 HB2 ALA 11 HB2 ALA 11 51.166 37.879 38.629 89 HB3 ALA 11 HB3 ALA 11 51.725 37.745 40.305 90 H LEU 12 H LEU 12 49.983 36.167 41.631 91 HA LEU 12 HA LEU 12 47.183 36.515 40.721 92 HB2 LEU 12 HB2 LEU 12 46.655 35.953 43.098 93 HB3 LEU 12 HB3 LEU 12 47.448 34.682 42.225 94 HG LEU 12 HG LEU 12 49.675 35.919 43.327 95 HD11 LEU 12 HD11 LEU 12 48.079 37.413 44.620 96 HD12 LEU 12 HD12 LEU 12 47.596 35.934 45.503 97 HD13 LEU 12 HD13 LEU 12 49.275 36.515 45.569 98 HD21 LEU 12 HD21 LEU 12 49.223 33.506 43.385 99 HD22 LEU 12 HD22 LEU 12 49.709 34.117 44.971 100 HD23 LEU 12 HD23 LEU 12 47.993 33.768 44.651 101 H ALA 13 H ALA 13 45.917 38.130 41.780 102 HA ALA 13 HA ALA 13 47.049 40.578 42.922 103 HB1 ALA 13 HB1 ALA 13 46.617 41.946 40.972 104 HB2 ALA 13 HB2 ALA 13 47.541 40.550 40.381 105 HB3 ALA 13 HB3 ALA 13 45.780 40.603 40.163 106 H GLU 14 H GLU 14 45.368 41.936 43.744 107 HA GLU 14 HA GLU 14 42.513 41.557 43.217 108 HB2 GLU 14 HB2 GLU 14 42.805 39.829 44.892 109 HB3 GLU 14 HB3 GLU 14 43.916 40.868 45.813 110 HG2 GLU 14 HG2 GLU 14 42.072 42.346 46.407 111 HG3 GLU 14 HG3 GLU 14 40.923 41.261 45.628 112 H ALA 15 H ALA 15 41.527 43.630 43.482 113 HA ALA 15 HA ALA 15 43.166 45.918 44.013 114 HB1 ALA 15 HB1 ALA 15 41.136 47.179 43.723 115 HB2 ALA 15 HB2 ALA 15 41.470 46.037 42.397 116 HB3 ALA 15 HB3 ALA 15 40.185 45.681 43.595 117 H ASP 16 H ASP 16 43.381 47.268 45.678 118 HA ASP 16 HA ASP 16 41.814 46.824 48.162 119 HB2 ASP 16 HB2 ASP 16 43.730 47.286 49.384 120 HB3 ASP 16 HB3 ASP 16 44.182 46.152 48.096 121 H ARG 17 H ARG 17 40.276 48.345 46.760 122 HA ARG 17 HA ARG 17 39.420 50.402 46.209 123 HB2 ARG 17 HB2 ARG 17 40.885 51.031 48.785 124 HB3 ARG 17 HB3 ARG 17 40.017 52.268 47.942 125 HG2 ARG 17 HG2 ARG 17 37.930 51.225 48.172 126 HG3 ARG 17 HG3 ARG 17 38.609 49.613 48.512 127 HD2 ARG 17 HD2 ARG 17 39.024 52.007 50.275 128 HD3 ARG 17 HD3 ARG 17 37.694 50.834 50.507 129 HE ARG 17 HE ARG 17 39.886 49.177 50.517 130 HH11 ARG 17 HH11 ARG 17 38.954 52.106 52.297 131 HH12 ARG 17 HH12 ARG 17 39.924 51.581 53.667 132 HH21 ARG 17 HH21 ARG 17 41.077 48.729 52.251 133 HH22 ARG 17 HH22 ARG 17 41.080 49.827 53.636 134 H THR 18 H THR 18 42.415 49.763 45.242 135 HA THR 18 HA THR 18 43.073 52.529 44.407 136 HB THR 18 HB THR 18 45.355 50.898 45.532 137 HG1 THR 18 HG1 THR 18 43.681 51.147 47.198 138 HG21 THR 18 HG21 THR 18 44.744 53.868 45.501 139 HG22 THR 18 HG22 THR 18 46.207 53.117 46.151 140 HG23 THR 18 HG23 THR 18 45.893 53.025 44.412 141 H LEU 19 H LEU 19 44.399 52.743 42.671 142 HA LEU 19 HA LEU 19 44.315 50.448 40.779 143 HB2 LEU 19 HB2 LEU 19 42.634 52.233 40.497 144 HB3 LEU 19 HB3 LEU 19 43.873 53.460 40.431 145 HG LEU 19 HG LEU 19 44.697 52.572 38.249 146 HD11 LEU 19 HD11 LEU 19 42.619 50.463 38.833 147 HD12 LEU 19 HD12 LEU 19 43.224 50.805 37.171 148 HD13 LEU 19 HD13 LEU 19 44.320 50.228 38.411 149 HD21 LEU 19 HD21 LEU 19 43.001 54.287 38.252 150 HD22 LEU 19 HD22 LEU 19 42.547 53.136 36.992 151 HD23 LEU 19 HD23 LEU 19 41.719 53.109 38.566 152 H PHE 20 H PHE 20 46.104 49.870 39.604 153 HA PHE 20 HA PHE 20 48.503 51.468 39.984 154 HB2 PHE 20 HB2 PHE 20 48.617 48.967 40.028 155 HB3 PHE 20 HB3 PHE 20 48.154 48.955 38.328 156 HD1 PHE 20 HD2 PHE 20 50.729 49.950 40.806 157 HD2 PHE 20 HD1 PHE 20 49.911 49.655 36.575 158 HE1 PHE 20 HE2 PHE 20 53.090 50.455 40.310 159 HE2 PHE 20 HE1 PHE 20 52.267 50.227 36.100 160 HZ PHE 20 HZ PHE 20 53.860 50.640 37.959 161 H VAL 21 H VAL 21 49.266 52.889 38.723 162 HA VAL 21 HA VAL 21 48.289 53.152 35.931 163 HB VAL 21 HB VAL 21 48.975 55.441 37.809 164 HG11 VAL 21 HG11 VAL 21 47.436 55.388 35.196 165 HG12 VAL 21 HG12 VAL 21 48.015 56.818 36.126 166 HG13 VAL 21 HG13 VAL 21 49.158 55.776 35.276 167 HG21 VAL 21 HG21 VAL 21 46.992 54.490 38.770 168 HG22 VAL 21 HG22 VAL 21 46.374 55.772 37.721 169 HG23 VAL 21 HG23 VAL 21 46.311 54.070 37.210 170 H GLY 22 H GLY 22 50.014 53.243 34.485 171 HA2 GLY 22 HA2 GLY 22 52.644 54.000 35.558 172 HA3 GLY 22 HA3 GLY 22 52.555 52.446 34.774 173 H ASN 23 H ASN 23 54.200 53.675 33.506 174 HA ASN 23 HA ASN 23 54.959 54.580 31.538 175 HB2 ASN 23 HB2 ASN 23 52.842 53.161 30.678 176 HB3 ASN 23 HB3 ASN 23 52.169 54.764 30.434 177 HD21 ASN 23 HD21 ASN 23 52.034 54.230 28.233 178 HD22 ASN 23 HD22 ASN 23 53.479 54.320 27.218 179 H LEU 24 H LEU 24 54.482 56.140 33.681 180 HA LEU 24 HA LEU 24 53.022 58.578 33.098 181 HB2 LEU 24 HB2 LEU 24 55.107 57.787 35.160 182 HB3 LEU 24 HB3 LEU 24 54.442 59.390 35.074 183 HG LEU 24 HG LEU 24 53.532 57.663 36.804 184 HD11 LEU 24 HD11 LEU 24 51.962 59.570 35.154 185 HD12 LEU 24 HD12 LEU 24 50.978 58.411 36.059 186 HD13 LEU 24 HD13 LEU 24 52.073 59.450 36.944 187 HD21 LEU 24 HD21 LEU 24 53.158 55.881 35.103 188 HD22 LEU 24 HD22 LEU 24 51.765 56.200 36.177 189 HD23 LEU 24 HD23 LEU 24 51.765 56.805 34.508 190 H GLU 25 H GLU 25 53.891 60.628 32.883 191 HA GLU 25 HA GLU 25 56.277 60.757 31.185 192 HB2 GLU 25 HB2 GLU 25 54.057 62.434 31.636 193 HB3 GLU 25 HB3 GLU 25 55.442 63.331 32.286 194 HG2 GLU 25 HG2 GLU 25 55.655 62.025 29.580 195 HG3 GLU 25 HG3 GLU 25 54.823 63.566 29.701 196 H THR 26 H THR 26 58.049 62.127 31.688 197 HA THR 26 HA THR 26 59.271 61.005 33.984 198 HB THR 26 HB THR 26 61.322 62.074 33.125 199 HG1 THR 26 HG1 THR 26 59.668 63.207 31.169 200 HG21 THR 26 HG21 THR 26 59.509 60.975 30.895 201 HG22 THR 26 HG22 THR 26 61.286 61.015 30.874 202 HG23 THR 26 HG23 THR 26 60.401 59.986 32.042 203 H LYS 27 H LYS 27 57.609 63.814 33.552 204 HA LYS 27 HA LYS 27 58.469 65.124 36.087 205 HB2 LYS 27 HB2 LYS 27 57.642 66.561 33.531 206 HB3 LYS 27 HB3 LYS 27 57.977 67.300 35.071 207 HG2 LYS 27 HG2 LYS 27 60.104 65.616 33.659 208 HG3 LYS 27 HG3 LYS 27 59.859 67.307 33.266 209 HD2 LYS 27 HD2 LYS 27 60.381 66.369 36.121 210 HD3 LYS 27 HD3 LYS 27 61.644 66.909 34.991 211 HE2 LYS 27 HE2 LYS 27 60.649 69.069 34.743 212 HE3 LYS 27 HE3 LYS 27 59.195 68.609 35.622 213 HZ1 LYS 27 HZ1 LYS 27 61.875 68.932 36.734 214 HZ2 LYS 27 HZ2 LYS 27 60.505 69.770 37.105 215 HZ3 LYS 27 HZ3 LYS 27 60.655 68.195 37.553 216 H VAL 28 H VAL 28 56.185 63.243 35.240 217 HA VAL 28 HA VAL 28 53.667 64.501 35.372 218 HB VAL 28 HB VAL 28 54.187 62.155 34.855 219 HG11 VAL 28 HG11 VAL 28 54.095 60.548 36.891 220 HG12 VAL 28 HG12 VAL 28 55.642 61.352 36.550 221 HG13 VAL 28 HG13 VAL 28 54.618 61.922 37.870 222 HG21 VAL 28 HG21 VAL 28 51.925 63.274 35.587 223 HG22 VAL 28 HG22 VAL 28 52.023 61.540 35.370 224 HG23 VAL 28 HG23 VAL 28 52.114 62.256 37.023 225 H THR 29 H THR 29 52.118 64.449 37.226 226 HA THR 29 HA THR 29 53.173 64.849 39.908 227 HB THR 29 HB THR 29 51.997 67.084 40.173 228 HG1 THR 29 HG1 THR 29 52.248 67.241 37.440 229 HG21 THR 29 HG21 THR 29 54.225 67.183 38.115 230 HG22 THR 29 HG22 THR 29 53.950 68.263 39.520 231 HG23 THR 29 HG23 THR 29 54.490 66.576 39.754 232 H GLU 30 H GLU 30 51.482 65.086 41.461 233 HA GLU 30 HA GLU 30 49.157 63.499 41.111 234 HB2 GLU 30 HB2 GLU 30 49.799 65.680 43.137 235 HB3 GLU 30 HB3 GLU 30 48.517 64.443 43.302 236 HG2 GLU 30 HG2 GLU 30 50.484 62.757 42.903 237 HG3 GLU 30 HG3 GLU 30 51.533 64.122 43.262 238 H GLU 31 H GLU 31 49.693 67.011 40.590 239 HA GLU 31 HA GLU 31 46.952 67.679 40.068 240 HB2 GLU 31 HB2 GLU 31 49.553 68.946 39.109 241 HB3 GLU 31 HB3 GLU 31 47.955 69.661 38.925 242 HG2 GLU 31 HG2 GLU 31 47.740 69.462 41.493 243 HG3 GLU 31 HG3 GLU 31 49.464 69.122 41.513 244 H LEU 32 H LEU 32 49.473 66.396 37.901 245 HA LEU 32 HA LEU 32 47.833 66.774 35.503 246 HB2 LEU 32 HB2 LEU 32 50.372 66.657 35.492 247 HB3 LEU 32 HB3 LEU 32 50.246 64.960 35.919 248 HG LEU 32 HG LEU 32 48.752 64.807 33.682 249 HD11 LEU 32 HD11 LEU 32 48.513 67.202 33.396 250 HD12 LEU 32 HD12 LEU 32 50.268 67.391 33.230 251 HD13 LEU 32 HD13 LEU 32 49.361 66.466 32.020 252 HD21 LEU 32 HD21 LEU 32 51.757 65.173 33.784 253 HD22 LEU 32 HD22 LEU 32 50.819 63.659 33.769 254 HD23 LEU 32 HD23 LEU 32 50.874 64.661 32.316 255 H LEU 33 H LEU 33 48.383 64.078 37.742 256 HA LEU 33 HA LEU 33 46.576 62.268 36.354 257 HB2 LEU 33 HB2 LEU 33 47.262 62.343 39.286 258 HB3 LEU 33 HB3 LEU 33 46.619 60.958 38.416 259 HG LEU 33 HG LEU 33 49.353 62.188 37.823 260 HD11 LEU 33 HD11 LEU 33 49.394 61.325 40.074 261 HD12 LEU 33 HD12 LEU 33 48.761 59.751 39.529 262 HD13 LEU 33 HD13 LEU 33 50.360 60.320 38.986 263 HD21 LEU 33 HD21 LEU 33 48.786 59.350 37.102 264 HD22 LEU 33 HD22 LEU 33 48.023 60.614 36.109 265 HD23 LEU 33 HD23 LEU 33 49.781 60.596 36.331 266 H PHE 34 H PHE 34 46.057 64.515 39.168 267 HA PHE 34 HA PHE 34 43.356 63.912 39.522 268 HB2 PHE 34 HB2 PHE 34 44.985 65.600 40.832 269 HB3 PHE 34 HB3 PHE 34 44.306 66.778 39.757 270 HD1 PHE 34 HD1 PHE 34 41.676 66.943 39.699 271 HD2 PHE 34 HD2 PHE 34 43.762 64.674 42.741 272 HE1 PHE 34 HE1 PHE 34 39.645 66.908 41.086 273 HE2 PHE 34 HE2 PHE 34 41.725 64.637 44.095 274 HZ PHE 34 HZ PHE 34 39.667 65.785 43.313 275 H GLU 35 H GLU 35 44.742 66.203 37.101 276 HA GLU 35 HA GLU 35 42.099 66.970 36.180 277 HB2 GLU 35 HB2 GLU 35 43.167 68.556 34.889 278 HB3 GLU 35 HB3 GLU 35 44.442 68.229 36.059 279 HG2 GLU 35 HG2 GLU 35 45.542 66.707 34.476 280 HG3 GLU 35 HG3 GLU 35 44.256 66.928 33.297 281 H LEU 36 H LEU 36 44.327 64.486 35.140 282 HA LEU 36 HA LEU 36 42.783 63.763 32.807 283 HB2 LEU 36 HB2 LEU 36 45.122 63.458 32.852 284 HB3 LEU 36 HB3 LEU 36 45.088 62.568 34.376 285 HG LEU 36 HG LEU 36 43.620 61.330 32.063 286 HD11 LEU 36 HD11 LEU 36 46.660 61.462 32.335 287 HD12 LEU 36 HD12 LEU 36 45.768 60.274 31.329 288 HD13 LEU 36 HD13 LEU 36 45.707 62.006 30.958 289 HD21 LEU 36 HD21 LEU 36 44.353 59.286 33.091 290 HD22 LEU 36 HD22 LEU 36 45.518 60.127 34.122 291 HD23 LEU 36 HD23 LEU 36 43.785 60.343 34.399 292 H PHE 37 H PHE 37 42.979 62.339 36.160 293 HA PHE 37 HA PHE 37 41.003 60.361 35.293 294 HB2 PHE 37 HB2 PHE 37 42.338 60.790 37.979 295 HB3 PHE 37 HB3 PHE 37 41.107 59.570 37.654 296 HD1 PHE 37 HD2 PHE 37 41.590 57.696 36.017 297 HD2 PHE 37 HD1 PHE 37 44.584 60.366 37.533 298 HE1 PHE 37 HE2 PHE 37 43.384 56.144 35.216 299 HE2 PHE 37 HE1 PHE 37 46.376 58.829 36.740 300 HZ PHE 37 HZ PHE 37 45.760 56.715 35.569 301 H HIS 38 H HIS 38 40.695 63.526 36.779 302 HA HIS 38 HA HIS 38 38.129 63.158 37.861 303 HB2 HIS 38 HB2 HIS 38 39.406 65.202 38.107 304 HB3 HIS 38 HB3 HIS 38 39.303 65.547 36.391 305 HD2 HIS 38 HD2 HIS 38 37.410 67.299 35.867 306 HE1 HIS 38 HE1 HIS 38 34.720 66.513 39.046 307 HE2 HIS 38 HE2 HIS 38 35.119 67.893 36.996 308 H GLN 39 H GLN 39 39.042 63.354 34.370 309 HA GLN 39 HA GLN 39 36.537 63.194 33.185 310 HB2 GLN 39 HB2 GLN 39 39.150 63.036 32.273 311 HB3 GLN 39 HB3 GLN 39 38.649 61.354 32.121 312 HG2 GLN 39 HG2 GLN 39 36.613 62.096 30.884 313 HG3 GLN 39 HG3 GLN 39 37.251 63.742 30.876 314 HE21 GLN 39 HE22 GLN 39 36.656 62.621 28.459 315 HE22 GLN 39 HE21 GLN 39 38.024 61.925 27.638 316 H ALA 40 H ALA 40 38.313 60.558 34.785 317 HA ALA 40 HA ALA 40 36.526 58.467 33.806 318 HB1 ALA 40 HB1 ALA 40 38.963 58.422 35.668 319 HB2 ALA 40 HB2 ALA 40 38.195 56.982 35.012 320 HB3 ALA 40 HB3 ALA 40 39.007 58.105 33.928 321 H GLY 41 H GLY 41 36.830 60.538 36.600 322 HA2 GLY 41 HA2 GLY 41 34.393 60.415 37.626 323 HA3 GLY 41 HA3 GLY 41 35.014 58.879 38.240 324 HA PRO 42 HA PRO 42 35.791 62.158 41.467 325 HB2 PRO 42 HB2 PRO 42 34.218 60.810 43.431 326 HB3 PRO 42 HB3 PRO 42 33.763 62.241 42.495 327 HG2 PRO 42 HG2 PRO 42 32.709 59.598 42.295 328 HG3 PRO 42 HG3 PRO 42 32.305 61.002 41.259 329 HD2 PRO 42 HD2 PRO 42 34.154 58.741 40.770 330 HD3 PRO 42 HD3 PRO 42 33.284 59.786 39.593 331 H VAL 43 H VAL 43 37.922 61.052 41.045 332 HA VAL 43 HA VAL 43 38.962 58.850 42.504 333 HB VAL 43 HB VAL 43 41.184 60.010 42.245 334 HG11 VAL 43 HG11 VAL 43 39.438 59.690 39.794 335 HG12 VAL 43 HG12 VAL 43 41.225 59.802 39.830 336 HG13 VAL 43 HG13 VAL 43 40.405 58.431 40.619 337 HG21 VAL 43 HG21 VAL 43 39.563 62.175 40.871 338 HG22 VAL 43 HG22 VAL 43 40.800 62.348 42.151 339 HG23 VAL 43 HG23 VAL 43 41.279 61.860 40.540 340 H ILE 44 H ILE 44 39.461 58.580 44.598 341 HA ILE 44 HA ILE 44 38.591 60.537 46.526 342 HB ILE 44 HB ILE 44 40.078 57.880 46.762 343 HG12 ILE 44 HG12 ILE 44 37.809 57.568 46.001 344 HG13 ILE 44 HG13 ILE 44 38.013 56.955 47.641 345 HG21 ILE 44 HG21 ILE 44 39.394 57.988 49.246 346 HG22 ILE 44 HG22 ILE 44 40.764 58.977 48.699 347 HG23 ILE 44 HG23 ILE 44 39.164 59.714 48.992 348 HD11 ILE 44 HD11 ILE 44 36.718 59.586 46.838 349 HD12 ILE 44 HD12 ILE 44 35.861 58.145 47.399 350 HD13 ILE 44 HD13 ILE 44 36.915 59.018 48.524 351 H LYS 45 H LYS 45 41.715 59.489 45.357 352 HA LYS 45 HA LYS 45 43.151 61.870 45.951 353 HB2 LYS 45 HB2 LYS 45 44.665 61.053 47.660 354 HB3 LYS 45 HB3 LYS 45 42.984 61.122 48.258 355 HG2 LYS 45 HG2 LYS 45 42.793 58.658 47.881 356 HG3 LYS 45 HG3 LYS 45 44.559 58.640 47.617 357 HD2 LYS 45 HD2 LYS 45 44.270 58.067 49.866 358 HD3 LYS 45 HD3 LYS 45 44.792 59.756 49.876 359 HE2 LYS 45 HE2 LYS 45 42.732 60.548 50.574 360 HE3 LYS 45 HE3 LYS 45 41.838 59.091 50.112 361 HZ1 LYS 45 HZ1 LYS 45 43.882 59.023 52.232 362 HZ2 LYS 45 HZ2 LYS 45 42.323 59.222 52.478 363 HZ3 LYS 45 HZ3 LYS 45 42.782 57.856 51.807 364 H VAL 46 H VAL 46 45.349 61.742 45.372 365 HA VAL 46 HA VAL 46 45.991 59.655 43.332 366 HB VAL 46 HB VAL 46 46.578 62.657 43.425 367 HG11 VAL 46 HG11 VAL 46 47.188 60.711 41.207 368 HG12 VAL 46 HG12 VAL 46 47.359 62.511 41.242 369 HG13 VAL 46 HG13 VAL 46 48.386 61.512 42.266 370 HG21 VAL 46 HG21 VAL 46 44.231 62.299 42.821 371 HG22 VAL 46 HG22 VAL 46 45.169 62.838 41.432 372 HG23 VAL 46 HG23 VAL 46 44.713 61.125 41.562 373 H LYS 47 H LYS 47 48.060 58.720 43.427 374 HA LYS 47 HA LYS 47 50.088 59.860 45.290 375 HB2 LYS 47 HB2 LYS 47 49.335 57.575 45.956 376 HB3 LYS 47 HB3 LYS 47 49.481 57.074 44.265 377 HG2 LYS 47 HG2 LYS 47 51.261 56.082 45.678 378 HG3 LYS 47 HG3 LYS 47 51.926 57.066 44.402 379 HD2 LYS 47 HD2 LYS 47 52.130 58.991 46.020 380 HD3 LYS 47 HD3 LYS 47 51.603 57.911 47.315 381 HE2 LYS 47 HE2 LYS 47 53.975 57.185 45.557 382 HE3 LYS 47 HE3 LYS 47 54.137 58.326 46.891 383 HZ1 LYS 47 HZ1 LYS 47 53.298 56.643 48.385 384 HZ2 LYS 47 HZ2 LYS 47 53.027 55.612 47.204 385 HZ3 LYS 47 HZ3 LYS 47 54.575 56.030 47.573 386 H ILE 48 H ILE 48 51.739 60.757 44.511 387 HA ILE 48 HA ILE 48 53.060 59.615 42.122 388 HB ILE 48 HB ILE 48 52.926 62.376 43.218 389 HG12 ILE 48 HG12 ILE 48 51.393 61.509 41.425 390 HG13 ILE 48 HG13 ILE 48 52.384 62.868 40.883 391 HG21 ILE 48 HG21 ILE 48 55.243 61.339 41.564 392 HG22 ILE 48 HG22 ILE 48 54.729 63.061 41.568 393 HG23 ILE 48 HG23 ILE 48 55.322 62.298 43.034 394 HD11 ILE 48 HD11 ILE 48 52.537 61.552 39.096 395 HD12 ILE 48 HD12 ILE 48 53.924 60.840 39.959 396 HD13 ILE 48 HD13 ILE 48 52.354 60.028 40.016 397 HA PRO 49 HA PRO 49 56.112 58.024 45.210 398 HB2 PRO 49 HB2 PRO 49 57.447 56.477 43.366 399 HB3 PRO 49 HB3 PRO 49 55.912 56.004 44.175 400 HG2 PRO 49 HG2 PRO 49 56.398 57.252 41.485 401 HG3 PRO 49 HG3 PRO 49 55.277 55.875 41.833 402 HD2 PRO 49 HD2 PRO 49 54.431 58.383 41.488 403 HD3 PRO 49 HD3 PRO 49 53.626 57.336 42.663 404 H LYS 50 H LYS 50 58.634 58.220 45.227 405 HA LYS 50 HA LYS 50 59.966 59.673 43.177 406 HB2 LYS 50 HB2 LYS 50 59.528 61.145 45.806 407 HB3 LYS 50 HB3 LYS 50 60.914 61.483 44.771 408 HG2 LYS 50 HG2 LYS 50 59.152 61.691 42.862 409 HG3 LYS 50 HG3 LYS 50 58.036 62.020 44.190 410 HD2 LYS 50 HD2 LYS 50 59.541 63.914 44.931 411 HD3 LYS 50 HD3 LYS 50 60.621 63.564 43.590 412 HE2 LYS 50 HE2 LYS 50 59.031 63.989 41.924 413 HE3 LYS 50 HE3 LYS 50 57.683 63.976 43.046 414 HZ1 LYS 50 HZ1 LYS 50 58.182 66.271 42.386 415 HZ2 LYS 50 HZ2 LYS 50 58.466 66.074 43.968 416 HZ3 LYS 50 HZ3 LYS 50 59.701 66.168 42.967 417 H ASP 51 H ASP 51 61.636 58.431 43.031 418 HA ASP 51 HA ASP 51 63.171 56.946 44.989 419 HB2 ASP 51 HB2 ASP 51 63.072 56.821 42.400 420 HB3 ASP 51 HB3 ASP 51 64.253 58.129 42.445 421 H LYS 52 H LYS 52 65.582 57.352 45.246 422 HA LYS 52 HA LYS 52 66.260 59.552 46.814 423 HB2 LYS 52 HB2 LYS 52 68.630 58.951 46.480 424 HB3 LYS 52 HB3 LYS 52 67.641 57.524 46.761 425 HG2 LYS 52 HG2 LYS 52 68.752 56.649 45.138 426 HG3 LYS 52 HG3 LYS 52 67.678 57.538 44.050 427 HD2 LYS 52 HD2 LYS 52 69.473 59.241 43.705 428 HD3 LYS 52 HD3 LYS 52 70.417 58.542 45.033 429 HE2 LYS 52 HE2 LYS 52 70.654 56.423 43.851 430 HE3 LYS 52 HE3 LYS 52 69.588 56.967 42.559 431 HZ1 LYS 52 HZ1 LYS 52 71.260 58.591 41.967 432 HZ2 LYS 52 HZ2 LYS 52 72.233 58.113 43.177 433 HZ3 LYS 52 HZ3 LYS 52 71.896 57.077 41.966 434 H ASP 53 H ASP 53 66.627 59.201 43.328 435 HA ASP 53 HA ASP 53 67.772 61.812 42.833 436 HB2 ASP 53 HB2 ASP 53 68.065 59.694 41.565 437 HB3 ASP 53 HB3 ASP 53 66.396 59.796 41.023 438 H GLY 54 H GLY 54 64.579 60.970 43.679 439 HA2 GLY 54 HA2 GLY 54 62.844 62.393 44.081 440 HA3 GLY 54 HA3 GLY 54 63.615 63.669 43.146 441 H LYS 55 H LYS 55 62.695 60.301 42.199 442 HA LYS 55 HA LYS 55 61.090 61.511 40.012 443 HB2 LYS 55 HB2 LYS 55 63.390 60.818 39.360 444 HB3 LYS 55 HB3 LYS 55 62.988 59.154 39.835 445 HG2 LYS 55 HG2 LYS 55 62.620 59.012 37.537 446 HG3 LYS 55 HG3 LYS 55 61.019 59.431 38.066 447 HD2 LYS 55 HD2 LYS 55 61.214 61.029 36.447 448 HD3 LYS 55 HD3 LYS 55 61.916 61.950 37.760 449 HE2 LYS 55 HE2 LYS 55 64.213 60.909 36.909 450 HE3 LYS 55 HE3 LYS 55 63.317 60.609 35.432 451 HZ1 LYS 55 HZ1 LYS 55 64.410 62.806 35.483 452 HZ2 LYS 55 HZ2 LYS 55 62.779 62.968 35.319 453 HZ3 LYS 55 HZ3 LYS 55 63.523 63.231 36.738 454 HA PRO 56 HA PRO 56 57.970 58.669 41.214 455 HB2 PRO 56 HB2 PRO 56 56.258 58.962 39.015 456 HB3 PRO 56 HB3 PRO 56 56.429 60.167 40.356 457 HG2 PRO 56 HG2 PRO 56 57.751 60.011 37.666 458 HG3 PRO 56 HG3 PRO 56 57.006 61.473 38.425 459 HD2 PRO 56 HD2 PRO 56 59.665 61.134 38.525 460 HD3 PRO 56 HD3 PRO 56 58.794 61.717 39.975 461 H LYS 57 H LYS 57 60.243 57.753 39.206 462 HA LYS 57 HA LYS 57 60.808 55.830 38.016 463 HB2 LYS 57 HB2 LYS 57 58.688 54.604 39.787 464 HB3 LYS 57 HB3 LYS 57 60.098 53.795 39.110 465 HG2 LYS 57 HG2 LYS 57 60.999 54.128 41.142 466 HG3 LYS 57 HG3 LYS 57 61.325 55.776 40.595 467 HD2 LYS 57 HD2 LYS 57 59.321 56.605 41.681 468 HD3 LYS 57 HD3 LYS 57 58.800 54.948 42.109 469 HE2 LYS 57 HE2 LYS 57 61.464 56.033 42.947 470 HE3 LYS 57 HE3 LYS 57 59.979 56.562 43.779 471 HZ1 LYS 57 HZ1 LYS 57 60.919 54.701 44.929 472 HZ2 LYS 57 HZ2 LYS 57 59.588 54.087 44.190 473 HZ3 LYS 57 HZ3 LYS 57 61.075 53.839 43.596 474 H GLN 58 H GLN 58 58.493 57.362 36.840 475 HA GLN 58 HA GLN 58 57.043 57.317 35.208 476 HB2 GLN 58 HB2 GLN 58 58.628 54.915 34.339 477 HB3 GLN 58 HB3 GLN 58 57.169 55.422 33.480 478 HG2 GLN 58 HG2 GLN 58 58.269 57.775 33.368 479 HG3 GLN 58 HG3 GLN 58 59.759 56.957 33.850 480 HE21 GLN 58 HE21 GLN 58 57.291 57.262 31.384 481 HE22 GLN 58 HE22 GLN 58 58.151 56.470 30.062 482 H PHE 59 H PHE 59 56.117 56.356 37.691 483 HA PHE 59 HA PHE 59 53.707 54.966 36.869 484 HB2 PHE 59 HB2 PHE 59 53.797 53.063 38.101 485 HB3 PHE 59 HB3 PHE 59 55.376 53.124 37.344 486 HD1 PHE 59 HD1 PHE 59 53.461 53.644 40.475 487 HD2 PHE 59 HD2 PHE 59 57.381 52.999 38.805 488 HE1 PHE 59 HE1 PHE 59 54.374 53.301 42.744 489 HE2 PHE 59 HE2 PHE 59 58.234 52.424 41.052 490 HZ PHE 59 HZ PHE 59 56.729 52.543 43.035 491 H ALA 60 H ALA 60 51.986 54.967 38.450 492 HA ALA 60 HA ALA 60 52.215 56.669 40.872 493 HB1 ALA 60 HB1 ALA 60 51.776 58.046 38.776 494 HB2 ALA 60 HB2 ALA 60 50.180 57.212 38.722 495 HB3 ALA 60 HB3 ALA 60 50.611 58.195 40.130 496 H PHE 61 H PHE 61 50.105 56.753 42.028 497 HA PHE 61 HA PHE 61 48.244 54.554 41.320 498 HB2 PHE 61 HB2 PHE 61 49.514 55.084 44.053 499 HB3 PHE 61 HB3 PHE 61 47.936 54.377 43.923 500 HD1 PHE 61 HD2 PHE 61 51.566 53.923 42.966 501 HD2 PHE 61 HD1 PHE 61 47.759 51.980 43.638 502 HE1 PHE 61 HE2 PHE 61 52.670 51.709 42.968 503 HE2 PHE 61 HE1 PHE 61 48.860 49.785 43.448 504 HZ PHE 61 HZ PHE 61 51.312 49.636 43.128 505 H VAL 62 H VAL 62 46.143 54.651 42.188 506 HA VAL 62 HA VAL 62 45.156 57.322 42.936 507 HB VAL 62 HB VAL 62 43.996 55.888 40.500 508 HG11 VAL 62 HG11 VAL 62 43.408 58.565 41.845 509 HG12 VAL 62 HG12 VAL 62 42.783 58.099 40.250 510 HG13 VAL 62 HG13 VAL 62 42.320 57.171 41.682 511 HG21 VAL 62 HG21 VAL 62 44.726 57.796 39.135 512 HG22 VAL 62 HG22 VAL 62 45.734 58.383 40.475 513 HG23 VAL 62 HG23 VAL 62 46.068 56.810 39.701 514 H ASN 63 H ASN 63 43.535 57.260 44.307 515 HA ASN 63 HA ASN 63 42.379 54.643 45.067 516 HB2 ASN 63 HB2 ASN 63 43.590 56.371 46.703 517 HB3 ASN 63 HB3 ASN 63 42.112 57.256 46.569 518 HD21 ASN 63 HD22 ASN 63 43.556 54.258 47.853 519 HD22 ASN 63 HD21 ASN 63 42.178 53.773 48.790 520 H PHE 64 H PHE 64 40.218 54.283 45.340 521 HA PHE 64 HA PHE 64 38.179 56.267 44.457 522 HB2 PHE 64 HB2 PHE 64 38.400 53.394 43.526 523 HB3 PHE 64 HB3 PHE 64 37.092 54.516 43.201 524 HD1 PHE 64 HD1 PHE 64 40.702 53.815 42.358 525 HD2 PHE 64 HD2 PHE 64 37.207 56.204 41.543 526 HE1 PHE 64 HE1 PHE 64 41.808 54.772 40.343 527 HE2 PHE 64 HE2 PHE 64 38.263 57.033 39.472 528 HZ PHE 64 HZ PHE 64 40.578 56.320 38.869 529 H LYS 65 H LYS 65 36.038 55.823 45.426 530 HA LYS 65 HA LYS 65 35.952 54.389 47.909 531 HB2 LYS 65 HB2 LYS 65 34.383 56.212 47.242 532 HB3 LYS 65 HB3 LYS 65 33.625 55.135 46.078 533 HG2 LYS 65 HG2 LYS 65 32.659 53.794 47.940 534 HG3 LYS 65 HG3 LYS 65 33.504 54.805 49.117 535 HD2 LYS 65 HD2 LYS 65 31.194 55.557 48.926 536 HD3 LYS 65 HD3 LYS 65 32.289 56.786 48.362 537 HE2 LYS 65 HE2 LYS 65 30.454 56.786 46.916 538 HE3 LYS 65 HE3 LYS 65 31.865 56.188 46.015 539 HZ1 LYS 65 HZ1 LYS 65 29.816 54.384 47.114 540 HZ2 LYS 65 HZ2 LYS 65 29.760 54.979 45.596 541 HZ3 LYS 65 HZ3 LYS 65 30.994 54.034 46.062 542 H HIS 66 H HIS 66 34.969 52.457 48.393 543 HA HIS 66 HA HIS 66 36.091 50.289 46.974 544 HB2 HIS 66 HB2 HIS 66 35.785 50.472 49.395 545 HB3 HIS 66 HB3 HIS 66 34.026 50.442 49.216 546 HD2 HIS 66 HD2 HIS 66 36.985 48.299 49.761 547 HE1 HIS 66 HE1 HIS 66 34.038 45.557 48.400 548 HE2 HIS 66 HE2 HIS 66 36.340 45.782 49.417 549 H GLU 67 H GLU 67 35.371 49.179 45.193 550 HA GLU 67 HA GLU 67 32.476 48.636 44.934 551 HB2 GLU 67 HB2 GLU 67 33.043 50.857 43.972 552 HB3 GLU 67 HB3 GLU 67 34.134 50.077 42.837 553 HG2 GLU 67 HG2 GLU 67 31.970 50.575 41.817 554 HG3 GLU 67 HG3 GLU 67 32.322 48.852 41.837 555 H VAL 68 H VAL 68 31.844 47.113 43.387 556 HA VAL 68 HA VAL 68 33.803 45.042 42.576 557 HB VAL 68 HB VAL 68 30.762 44.996 42.513 558 HG11 VAL 68 HG11 VAL 68 32.766 42.760 41.843 559 HG12 VAL 68 HG12 VAL 68 31.000 42.611 41.970 560 HG13 VAL 68 HG13 VAL 68 31.719 43.596 40.706 561 HG21 VAL 68 HG21 VAL 68 31.013 43.196 44.267 562 HG22 VAL 68 HG22 VAL 68 32.684 43.726 44.487 563 HG23 VAL 68 HG23 VAL 68 31.322 44.833 44.791 564 H SER 69 H SER 69 34.816 46.453 40.938 565 HA SER 69 HA SER 69 33.524 46.337 38.292 566 HB2 SER 69 HB2 SER 69 33.950 48.786 37.832 567 HB3 SER 69 HB3 SER 69 32.651 48.487 38.989 568 HG SER 69 HG SER 69 34.220 50.136 39.482 569 H VAL 70 H VAL 70 34.991 46.717 36.440 570 HA VAL 70 HA VAL 70 37.847 46.833 37.091 571 HB VAL 70 HB VAL 70 38.037 47.530 34.612 572 HG11 VAL 70 HG11 VAL 70 37.744 45.060 33.937 573 HG12 VAL 70 HG12 VAL 70 38.921 45.527 35.152 574 HG13 VAL 70 HG13 VAL 70 37.378 44.806 35.676 575 HG21 VAL 70 HG21 VAL 70 35.789 48.135 34.115 576 HG22 VAL 70 HG22 VAL 70 36.281 46.782 33.111 577 HG23 VAL 70 HG23 VAL 70 35.179 46.500 34.476 578 HA PRO 71 HA PRO 71 37.954 51.259 37.636 579 HB2 PRO 71 HB2 PRO 71 40.355 51.828 36.258 580 HB3 PRO 71 HB3 PRO 71 40.203 51.423 37.982 581 HG2 PRO 71 HG2 PRO 71 40.815 49.610 35.598 582 HG3 PRO 71 HG3 PRO 71 41.560 49.490 37.215 583 HD2 PRO 71 HD2 PRO 71 39.690 47.801 36.499 584 HD3 PRO 71 HD3 PRO 71 39.655 48.502 38.147 585 H TYR 72 H TYR 72 36.853 52.773 36.492 586 HA TYR 72 HA TYR 72 35.991 52.585 33.894 587 HB2 TYR 72 HB2 TYR 72 35.259 54.045 35.866 588 HB3 TYR 72 HB3 TYR 72 36.480 55.207 35.359 589 HD1 TYR 72 HD2 TYR 72 33.311 53.529 34.553 590 HD2 TYR 72 HD1 TYR 72 36.166 56.487 33.270 591 HE1 TYR 72 HE2 TYR 72 31.658 54.411 32.939 592 HE2 TYR 72 HE1 TYR 72 34.501 57.415 31.677 593 HH TYR 72 HH TYR 72 32.343 56.986 30.709 594 H ALA 73 H ALA 73 38.928 54.386 34.969 595 HA ALA 73 HA ALA 73 39.587 55.580 32.524 596 HB1 ALA 73 HB1 ALA 73 41.325 54.529 34.779 597 HB2 ALA 73 HB2 ALA 73 41.914 55.586 33.483 598 HB3 ALA 73 HB3 ALA 73 40.679 56.197 34.600 599 H MET 74 H MET 74 40.104 52.102 33.300 600 HA MET 74 HA MET 74 42.284 51.872 31.409 601 HB2 MET 74 HB2 MET 74 41.730 50.331 33.408 602 HB3 MET 74 HB3 MET 74 40.527 49.591 32.349 603 HG2 MET 74 HG2 MET 74 42.313 49.157 30.652 604 HG3 MET 74 HG3 MET 74 43.494 49.952 31.678 605 HE1 MET 74 HE1 MET 74 44.713 47.706 30.783 606 HE2 MET 74 HE2 MET 74 44.481 46.133 31.553 607 HE3 MET 74 HE3 MET 74 43.303 46.710 30.351 608 H ASN 75 H ASN 75 38.833 51.794 31.067 609 HA ASN 75 HA ASN 75 38.957 51.004 28.212 610 HB2 ASN 75 HB2 ASN 75 37.138 50.150 29.486 611 HB3 ASN 75 HB3 ASN 75 36.805 51.733 30.200 612 HD21 ASN 75 HD22 ASN 75 35.237 52.870 29.321 613 HD22 ASN 75 HD21 ASN 75 34.714 52.777 27.639 614 H LEU 76 H LEU 76 38.970 53.951 30.175 615 HA LEU 76 HA LEU 76 37.930 55.576 27.988 616 HB2 LEU 76 HB2 LEU 76 37.249 55.623 30.412 617 HB3 LEU 76 HB3 LEU 76 38.787 56.383 30.786 618 HG LEU 76 HG LEU 76 36.258 57.359 29.582 619 HD11 LEU 76 HD11 LEU 76 38.374 58.911 31.126 620 HD12 LEU 76 HD12 LEU 76 36.660 59.300 30.900 621 HD13 LEU 76 HD13 LEU 76 37.126 57.885 31.884 622 HD21 LEU 76 HD21 LEU 76 37.613 57.891 27.677 623 HD22 LEU 76 HD22 LEU 76 37.088 59.338 28.550 624 HD23 LEU 76 HD23 LEU 76 38.769 58.816 28.716 625 H LEU 77 H LEU 77 40.856 55.732 30.056 626 HA LEU 77 HA LEU 77 42.179 57.533 28.120 627 HB2 LEU 77 HB2 LEU 77 43.148 56.640 30.867 628 HB3 LEU 77 HB3 LEU 77 43.893 57.809 29.741 629 HG LEU 77 HG LEU 77 43.116 59.111 31.383 630 HD11 LEU 77 HD11 LEU 77 40.732 59.067 29.515 631 HD12 LEU 77 HD12 LEU 77 41.149 60.360 30.671 632 HD13 LEU 77 HD13 LEU 77 42.214 60.030 29.310 633 HD21 LEU 77 HD21 LEU 77 40.767 58.891 32.427 634 HD22 LEU 77 HD22 LEU 77 40.751 57.275 31.678 635 HD23 LEU 77 HD23 LEU 77 42.001 57.752 32.881 636 H ASN 78 H ASN 78 43.860 55.104 30.037 637 HA ASN 78 HA ASN 78 45.757 53.928 29.291 638 HB2 ASN 78 HB2 ASN 78 43.765 52.528 29.837 639 HB3 ASN 78 HB3 ASN 78 43.324 52.539 28.110 640 HD21 ASN 78 HD22 ASN 78 45.364 51.642 26.710 641 HD22 ASN 78 HD21 ASN 78 45.776 50.041 27.311 642 H GLY 79 H GLY 79 46.723 55.519 27.887 643 HA2 GLY 79 HA2 GLY 79 48.182 55.042 25.972 644 HA3 GLY 79 HA3 GLY 79 46.755 54.644 25.015 645 H ILE 80 H ILE 80 46.794 57.327 27.298 646 HA ILE 80 HA ILE 80 46.860 59.299 25.083 647 HB ILE 80 HB ILE 80 44.913 60.470 25.888 648 HG12 ILE 80 HG12 ILE 80 43.764 59.278 28.018 649 HG13 ILE 80 HG13 ILE 80 45.506 59.128 28.410 650 HG21 ILE 80 HG21 ILE 80 44.051 57.577 26.282 651 HG22 ILE 80 HG22 ILE 80 43.143 58.953 25.628 652 HG23 ILE 80 HG23 ILE 80 44.455 58.228 24.693 653 HD11 ILE 80 HD11 ILE 80 44.194 61.772 27.632 654 HD12 ILE 80 HD12 ILE 80 44.122 61.150 29.277 655 HD13 ILE 80 HD13 ILE 80 45.693 61.528 28.575 656 H LYS 81 H LYS 81 47.538 61.338 25.416 657 HA LYS 81 HA LYS 81 48.331 62.433 27.987 658 HB2 LYS 81 HB2 LYS 81 50.838 62.679 27.110 659 HB3 LYS 81 HB3 LYS 81 50.277 61.228 27.864 660 HG2 LYS 81 HG2 LYS 81 51.542 60.633 25.962 661 HG3 LYS 81 HG3 LYS 81 49.859 60.199 25.675 662 HD2 LYS 81 HD2 LYS 81 49.595 62.270 24.223 663 HD3 LYS 81 HD3 LYS 81 51.297 62.647 24.567 664 HE2 LYS 81 HE2 LYS 81 51.843 60.371 23.569 665 HE3 LYS 81 HE3 LYS 81 50.168 60.255 23.035 666 HZ1 LYS 81 HZ1 LYS 81 51.803 61.168 21.436 667 HZ2 LYS 81 HZ2 LYS 81 50.476 62.118 21.610 668 HZ3 LYS 81 HZ3 LYS 81 51.872 62.538 22.324 669 H LEU 82 H LEU 82 49.611 64.593 27.508 670 HA LEU 82 HA LEU 82 49.488 65.532 24.671 671 HB2 LEU 82 HB2 LEU 82 48.967 67.083 27.236 672 HB3 LEU 82 HB3 LEU 82 49.410 67.923 25.760 673 HG LEU 82 HG LEU 82 46.894 66.242 26.066 674 HD11 LEU 82 HD11 LEU 82 45.751 68.453 26.219 675 HD12 LEU 82 HD12 LEU 82 46.878 68.169 27.554 676 HD13 LEU 82 HD13 LEU 82 47.344 69.239 26.223 677 HD21 LEU 82 HD21 LEU 82 47.565 68.352 23.948 678 HD22 LEU 82 HD22 LEU 82 47.961 66.642 23.699 679 HD23 LEU 82 HD23 LEU 82 46.276 67.145 23.874 680 H TYR 83 H TYR 83 51.229 65.531 27.727 681 HA TYR 83 HA TYR 83 53.534 66.969 26.930 682 HB2 TYR 83 HB2 TYR 83 53.288 64.667 28.953 683 HB3 TYR 83 HB3 TYR 83 54.687 65.690 28.755 684 HD1 TYR 83 HD1 TYR 83 52.761 68.321 28.606 685 HD2 TYR 83 HD2 TYR 83 53.488 65.033 31.310 686 HE1 TYR 83 HE1 TYR 83 52.439 69.836 30.560 687 HE2 TYR 83 HE2 TYR 83 53.180 66.587 33.257 688 HH TYR 83 HH TYR 83 52.329 69.891 32.877 689 H GLY 84 H GLY 84 53.280 63.359 27.109 690 HA2 GLY 84 HA2 GLY 84 54.369 62.951 24.511 691 HA3 GLY 84 HA3 GLY 84 55.701 62.900 25.650 692 H ARG 85 H ARG 85 54.539 61.531 27.831 693 HA ARG 85 HA ARG 85 54.568 58.785 26.655 694 HB2 ARG 85 HB2 ARG 85 55.334 59.661 29.480 695 HB3 ARG 85 HB3 ARG 85 55.103 58.021 28.964 696 HG2 ARG 85 HG2 ARG 85 57.333 58.108 28.563 697 HG3 ARG 85 HG3 ARG 85 56.774 58.700 26.984 698 HD2 ARG 85 HD2 ARG 85 57.095 61.008 27.719 699 HD3 ARG 85 HD3 ARG 85 57.740 60.414 29.274 700 HE ARG 85 HE ARG 85 59.178 59.172 27.132 701 HH11 ARG 85 HH11 ARG 85 58.721 62.224 28.794 702 HH12 ARG 85 HH12 ARG 85 60.245 62.865 28.284 703 HH21 ARG 85 HH21 ARG 85 61.360 59.894 27.054 704 HH22 ARG 85 HH22 ARG 85 61.729 61.536 27.469 705 HA PRO 86 HA PRO 86 50.296 59.060 27.434 706 HB2 PRO 86 HB2 PRO 86 49.529 56.582 26.364 707 HB3 PRO 86 HB3 PRO 86 49.897 58.003 25.332 708 HG2 PRO 86 HG2 PRO 86 51.709 55.703 26.142 709 HG3 PRO 86 HG3 PRO 86 51.480 56.412 24.511 710 HD2 PRO 86 HD2 PRO 86 53.585 57.127 26.059 711 HD3 PRO 86 HD3 PRO 86 52.685 58.380 25.145 712 H ILE 87 H ILE 87 49.132 58.693 29.168 713 HA ILE 87 HA ILE 87 50.038 56.949 31.217 714 HB ILE 87 HB ILE 87 47.557 58.595 30.708 715 HG12 ILE 87 HG12 ILE 87 49.617 59.582 31.620 716 HG13 ILE 87 HG13 ILE 87 48.163 59.859 32.566 717 HG21 ILE 87 HG21 ILE 87 47.591 56.272 32.610 718 HG22 ILE 87 HG22 ILE 87 46.669 57.735 33.023 719 HG23 ILE 87 HG23 ILE 87 46.364 56.884 31.497 720 HD11 ILE 87 HD11 ILE 87 50.128 57.683 33.330 721 HD12 ILE 87 HD12 ILE 87 50.238 59.376 33.883 722 HD13 ILE 87 HD13 ILE 87 48.811 58.407 34.290 723 H LYS 88 H LYS 88 49.995 54.976 31.394 724 HA LYS 88 HA LYS 88 48.001 53.227 30.058 725 HB2 LYS 88 HB2 LYS 88 50.371 52.786 29.578 726 HB3 LYS 88 HB3 LYS 88 50.756 52.740 31.303 727 HG2 LYS 88 HG2 LYS 88 50.608 50.517 30.313 728 HG3 LYS 88 HG3 LYS 88 49.481 50.757 31.658 729 HD2 LYS 88 HD2 LYS 88 47.595 50.943 30.207 730 HD3 LYS 88 HD3 LYS 88 48.629 51.145 28.771 731 HE2 LYS 88 HE2 LYS 88 48.953 48.884 28.590 732 HE3 LYS 88 HE3 LYS 88 49.297 48.735 30.313 733 HZ1 LYS 88 HZ1 LYS 88 47.363 47.533 29.727 734 HZ2 LYS 88 HZ2 LYS 88 46.822 48.772 30.673 735 HZ3 LYS 88 HZ3 LYS 88 46.669 48.771 29.037 736 H ILE 89 H ILE 89 46.362 52.549 31.252 737 HA ILE 89 HA ILE 89 46.711 52.339 34.214 738 HB ILE 89 HB ILE 89 44.128 52.234 32.614 739 HG12 ILE 89 HG12 ILE 89 43.701 54.208 34.368 740 HG13 ILE 89 HG13 ILE 89 45.444 54.330 34.409 741 HG21 ILE 89 HG21 ILE 89 44.705 51.973 35.580 742 HG22 ILE 89 HG22 ILE 89 43.071 52.127 34.885 743 HG23 ILE 89 HG23 ILE 89 44.031 50.705 34.526 744 HD11 ILE 89 HD11 ILE 89 43.524 54.725 32.088 745 HD12 ILE 89 HD12 ILE 89 44.559 55.948 32.825 746 HD13 ILE 89 HD13 ILE 89 45.292 54.678 31.827 747 H GLN 90 H GLN 90 46.665 50.440 35.259 748 HA GLN 90 HA GLN 90 46.311 47.988 33.630 749 HB2 GLN 90 HB2 GLN 90 48.283 48.237 35.903 750 HB3 GLN 90 HB3 GLN 90 48.020 46.867 34.815 751 HG2 GLN 90 HG2 GLN 90 48.626 48.396 32.868 752 HG3 GLN 90 HG3 GLN 90 49.079 49.613 34.043 753 HE21 GLN 90 HE22 GLN 90 50.359 47.321 31.962 754 HE22 GLN 90 HE21 GLN 90 51.810 46.885 32.836 755 H PHE 91 H PHE 91 45.291 46.403 34.441 756 HA PHE 91 HA PHE 91 44.419 46.290 37.227 757 HB2 PHE 91 HB2 PHE 91 42.633 47.599 36.252 758 HB3 PHE 91 HB3 PHE 91 42.319 46.363 35.035 759 HD1 PHE 91 HD2 PHE 91 42.354 46.996 38.713 760 HD2 PHE 91 HD1 PHE 91 40.937 44.424 35.570 761 HE1 PHE 91 HE2 PHE 91 40.750 45.948 40.290 762 HE2 PHE 91 HE1 PHE 91 39.336 43.371 37.151 763 HZ PHE 91 HZ PHE 91 39.222 44.159 39.512 764 H ARG 92 H ARG 92 43.890 44.189 37.941 765 HA ARG 92 HA ARG 92 43.707 41.922 36.041 766 HB2 ARG 92 HB2 ARG 92 45.590 42.153 38.420 767 HB3 ARG 92 HB3 ARG 92 45.271 40.643 37.563 768 HG2 ARG 92 HG2 ARG 92 46.751 43.085 36.467 769 HG3 ARG 92 HG3 ARG 92 47.458 41.580 37.009 770 HD2 ARG 92 HD2 ARG 92 45.472 41.703 34.725 771 HD3 ARG 92 HD3 ARG 92 47.220 41.905 34.500 772 HE ARG 92 HE ARG 92 47.016 39.491 35.886 773 HH11 ARG 92 HH11 ARG 92 46.014 40.765 32.778 774 HH12 ARG 92 HH12 ARG 92 45.482 39.176 32.253 775 HH21 ARG 92 HH21 ARG 92 46.372 37.604 35.145 776 HH22 ARG 92 HH22 ARG 92 45.770 37.369 33.516 777 H SER 93 H SER 93 42.180 40.365 36.801 778 HA SER 93 HA SER 93 40.311 41.422 38.762 779 HB2 SER 93 HB2 SER 93 40.359 38.847 37.184 780 HB3 SER 93 HB3 SER 93 38.951 39.528 38.009 781 HG SER 93 HG SER 93 38.967 40.145 35.870 782 H GLY 94 H GLY 94 39.952 40.696 40.797 783 HA2 GLY 94 HA2 GLY 94 41.623 38.753 42.098 784 HA3 GLY 94 HA3 GLY 94 40.109 39.404 42.727 785 H SER 95 H SER 95 41.476 36.671 42.320 786 HA SER 95 HA SER 95 39.769 34.968 40.763 787 HB2 SER 95 HB2 SER 95 41.074 33.222 41.738 788 HB3 SER 95 HB3 SER 95 42.167 34.595 41.611 789 HG SER 95 HG SER 95 42.190 33.672 43.634 790 H SER 96 H SER 96 39.403 36.305 44.021 791 HA SER 96 HA SER 96 38.195 35.719 45.832 792 HB2 SER 96 HB2 SER 96 36.146 34.718 43.849 793 HB3 SER 96 HB3 SER 96 35.834 35.237 45.510 794 HG SER 96 HG SER 96 35.397 37.025 44.529 795 H HIS 97 H HIS 97 40.083 33.569 44.986 796 HA HIS 97 HA HIS 97 38.720 31.036 45.306 797 HB2 HIS 97 HB2 HIS 97 40.885 31.326 44.034 798 HB3 HIS 97 HB3 HIS 97 41.688 31.581 45.591 799 HD2 HIS 97 HD2 HIS 97 42.175 29.613 47.142 800 HE1 HIS 97 HE1 HIS 97 40.344 26.461 44.969 801 HE2 HIS 97 HE2 HIS 97 41.719 27.043 47.015 802 H ALA 98 H ALA 98 40.241 33.282 47.571 803 HA ALA 98 HA ALA 98 40.133 31.459 49.857 804 HB1 ALA 98 HB1 ALA 98 40.799 33.497 51.111 805 HB2 ALA 98 HB2 ALA 98 41.837 33.071 49.763 806 HB3 ALA 98 HB3 ALA 98 40.656 34.418 49.593 807 HA PRO 99 HA PRO 99 35.936 32.153 50.946 808 HB2 PRO 99 HB2 PRO 99 35.990 31.768 53.690 809 HB3 PRO 99 HB3 PRO 99 36.073 30.465 52.455 810 HG2 PRO 99 HG2 PRO 99 38.279 31.721 54.092 811 HG3 PRO 99 HG3 PRO 99 38.074 30.021 53.572 812 HD2 PRO 99 HD2 PRO 99 39.730 31.912 52.351 813 HD3 PRO 99 HD3 PRO 99 39.071 30.459 51.527 814 H GLN 100 H GLN 100 34.576 33.852 51.439 815 HA GLN 100 HA GLN 100 35.543 36.286 52.645 816 HB2 GLN 100 HB2 GLN 100 33.836 36.302 51.011 817 HB3 GLN 100 HB3 GLN 100 32.859 35.107 51.906 818 HG2 GLN 100 HG2 GLN 100 32.571 36.804 53.714 819 HG3 GLN 100 HG3 GLN 100 33.388 37.981 52.667 820 HE21 GLN 100 HE22 GLN 100 30.781 38.510 53.446 821 HE22 GLN 100 HE21 GLN 100 29.704 38.231 52.094 822 H ASP 101 H ASP 101 33.813 33.407 53.785 823 HA ASP 101 HA ASP 101 34.289 34.177 56.623 824 HB2 ASP 101 HB2 ASP 101 32.051 34.897 55.829 825 HB3 ASP 101 HB3 ASP 101 31.644 33.217 55.502 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 65.111 36.348 33.198 2 H2 GLY 1 H2 GLY 1 65.237 37.135 31.741 3 H3 GLY 1 H3 GLY 1 65.564 35.562 31.838 4 HA2 GLY 1 HA2 GLY 1 63.585 35.470 30.877 5 HA3 GLY 1 HA3 GLY 1 63.326 35.042 32.568 6 H SER 2 H SER 2 61.257 35.763 31.191 7 HA SER 2 HA SER 2 60.386 38.318 30.731 8 HB2 SER 2 HB2 SER 2 59.236 36.229 30.153 9 HB3 SER 2 HB3 SER 2 58.649 36.107 31.836 10 HG SER 2 HG SER 2 57.537 37.383 29.943 11 H GLU 3 H GLU 3 59.523 39.905 31.688 12 HA GLU 3 HA GLU 3 59.377 41.575 33.086 13 HB2 GLU 3 HB2 GLU 3 57.449 39.624 34.350 14 HB3 GLU 3 HB3 GLU 3 57.430 41.383 34.628 15 HG2 GLU 3 HG2 GLU 3 56.886 41.867 32.338 16 HG3 GLU 3 HG3 GLU 3 57.221 40.224 31.819 17 H PHE 4 H PHE 4 61.668 40.267 33.808 18 HA PHE 4 HA PHE 4 61.919 39.790 36.582 19 HB2 PHE 4 HB2 PHE 4 63.199 38.871 34.725 20 HB3 PHE 4 HB3 PHE 4 63.914 40.460 34.428 21 HD1 PHE 4 HD2 PHE 4 63.931 37.461 36.592 22 HD2 PHE 4 HD1 PHE 4 65.747 41.278 35.779 23 HE1 PHE 4 HE2 PHE 4 65.880 36.833 37.990 24 HE2 PHE 4 HE1 PHE 4 67.774 40.574 37.023 25 HZ PHE 4 HZ PHE 4 67.785 38.441 38.264 26 H GLU 5 H GLU 5 62.256 42.881 34.801 27 HA GLU 5 HA GLU 5 63.217 44.338 37.149 28 HB2 GLU 5 HB2 GLU 5 63.385 46.210 35.827 29 HB3 GLU 5 HB3 GLU 5 63.812 44.873 34.751 30 HG2 GLU 5 HG2 GLU 5 61.473 44.795 33.985 31 HG3 GLU 5 HG3 GLU 5 61.177 46.333 34.823 32 H LEU 6 H LEU 6 60.236 43.028 36.807 33 HA LEU 6 HA LEU 6 58.720 45.080 38.413 34 HB2 LEU 6 HB2 LEU 6 57.820 42.860 36.589 35 HB3 LEU 6 HB3 LEU 6 56.838 43.537 37.866 36 HG LEU 6 HG LEU 6 56.121 44.458 35.904 37 HD11 LEU 6 HD11 LEU 6 56.299 46.180 37.750 38 HD12 LEU 6 HD12 LEU 6 57.860 46.669 37.073 39 HD13 LEU 6 HD13 LEU 6 56.350 46.845 36.127 40 HD21 LEU 6 HD21 LEU 6 57.419 45.595 34.211 41 HD22 LEU 6 HD22 LEU 6 58.899 45.490 35.181 42 HD23 LEU 6 HD23 LEU 6 58.145 44.018 34.516 43 H ARG 7 H ARG 7 57.366 43.932 40.191 44 HA ARG 7 HA ARG 7 58.804 41.710 41.445 45 HB2 ARG 7 HB2 ARG 7 56.216 43.149 42.207 46 HB3 ARG 7 HB3 ARG 7 56.985 41.844 43.112 47 HG2 ARG 7 HG2 ARG 7 57.620 43.715 44.233 48 HG3 ARG 7 HG3 ARG 7 59.056 43.265 43.240 49 HD2 ARG 7 HD2 ARG 7 58.741 45.062 41.759 50 HD3 ARG 7 HD3 ARG 7 57.116 45.419 42.355 51 HE ARG 7 HE ARG 7 59.713 45.980 43.785 52 HH11 ARG 7 HH11 ARG 7 56.196 46.344 43.848 53 HH12 ARG 7 HH12 ARG 7 56.354 47.701 44.967 54 HH21 ARG 7 HH21 ARG 7 59.649 47.908 45.079 55 HH22 ARG 7 HH22 ARG 7 58.097 48.161 45.858 56 H ARG 8 H ARG 8 58.020 39.635 41.420 57 HA ARG 8 HA ARG 8 55.855 39.004 39.453 58 HB2 ARG 8 HB2 ARG 8 58.553 37.725 39.934 59 HB3 ARG 8 HB3 ARG 8 57.290 37.101 38.839 60 HG2 ARG 8 HG2 ARG 8 57.430 39.363 37.630 61 HG3 ARG 8 HG3 ARG 8 58.830 39.739 38.565 62 HD2 ARG 8 HD2 ARG 8 58.534 37.297 36.754 63 HD3 ARG 8 HD3 ARG 8 59.437 38.773 36.363 64 HE ARG 8 HE ARG 8 60.547 37.772 38.756 65 HH11 ARG 8 HH11 ARG 8 60.591 36.861 35.269 66 HH12 ARG 8 HH12 ARG 8 61.756 35.608 35.598 67 HH21 ARG 8 HH21 ARG 8 62.111 36.278 38.861 68 HH22 ARG 8 HH22 ARG 8 62.847 35.566 37.430 69 H GLN 9 H GLN 9 54.304 38.931 40.974 70 HA GLN 9 HA GLN 9 53.863 36.316 42.319 71 HB2 GLN 9 HB2 GLN 9 53.163 39.016 43.523 72 HB3 GLN 9 HB3 GLN 9 52.857 37.433 44.215 73 HG2 GLN 9 HG2 GLN 9 54.745 37.858 45.412 74 HG3 GLN 9 HG3 GLN 9 55.496 37.135 43.992 75 HE21 GLN 9 HE22 GLN 9 57.389 38.181 44.572 76 HE22 GLN 9 HE21 GLN 9 57.596 39.938 44.515 77 H GLN 10 H GLN 10 51.559 36.224 43.100 78 HA GLN 10 HA GLN 10 49.935 36.178 40.781 79 HB2 GLN 10 HB2 GLN 10 48.247 35.238 42.192 80 HB3 GLN 10 HB3 GLN 10 49.832 34.521 42.608 81 HG2 GLN 10 HG2 GLN 10 49.842 36.289 44.542 82 HG3 GLN 10 HG3 GLN 10 48.130 36.511 44.139 83 HE21 GLN 10 HE22 GLN 10 46.624 35.068 44.912 84 HE22 GLN 10 HE21 GLN 10 47.074 33.537 45.644 85 H ALA 11 H ALA 11 50.376 38.736 43.028 86 HA ALA 11 HA ALA 11 48.375 40.398 41.790 87 HB1 ALA 11 HB1 ALA 11 48.063 39.555 44.711 88 HB2 ALA 11 HB2 ALA 11 47.018 40.688 43.816 89 HB3 ALA 11 HB3 ALA 11 47.060 38.951 43.385 90 H LEU 12 H LEU 12 48.201 42.507 43.218 91 HA LEU 12 HA LEU 12 50.769 43.671 43.955 92 HB2 LEU 12 HB2 LEU 12 47.948 44.518 44.672 93 HB3 LEU 12 HB3 LEU 12 49.372 45.538 44.757 94 HG LEU 12 HG LEU 12 48.078 44.421 42.229 95 HD11 LEU 12 HD11 LEU 12 47.991 47.311 43.207 96 HD12 LEU 12 HD12 LEU 12 47.358 46.639 41.687 97 HD13 LEU 12 HD13 LEU 12 46.658 46.148 43.228 98 HD21 LEU 12 HD21 LEU 12 49.434 45.926 40.918 99 HD22 LEU 12 HD22 LEU 12 50.316 46.486 42.350 100 HD23 LEU 12 HD23 LEU 12 50.449 44.787 41.797 101 H ALA 13 H ALA 13 51.644 43.991 46.024 102 HA ALA 13 HA ALA 13 49.874 43.536 48.354 103 HB1 ALA 13 HB1 ALA 13 51.637 42.211 49.508 104 HB2 ALA 13 HB2 ALA 13 51.185 41.420 47.988 105 HB3 ALA 13 HB3 ALA 13 52.686 42.368 48.078 106 H GLU 14 H GLU 14 52.477 45.348 47.002 107 HA GLU 14 HA GLU 14 52.877 47.023 49.384 108 HB2 GLU 14 HB2 GLU 14 54.573 46.334 47.606 109 HB3 GLU 14 HB3 GLU 14 53.752 47.431 46.516 110 HG2 GLU 14 HG2 GLU 14 54.335 49.310 48.131 111 HG3 GLU 14 HG3 GLU 14 55.236 48.146 49.104 112 H ALA 15 H ALA 15 50.407 46.684 47.226 113 HA ALA 15 HA ALA 15 48.919 48.787 48.493 114 HB1 ALA 15 HB1 ALA 15 48.683 48.758 45.450 115 HB2 ALA 15 HB2 ALA 15 47.854 49.781 46.611 116 HB3 ALA 15 HB3 ALA 15 49.576 50.004 46.373 117 H ASP 16 H ASP 16 46.481 48.249 48.150 118 HA ASP 16 HA ASP 16 45.840 45.719 46.766 119 HB2 ASP 16 HB2 ASP 16 46.362 45.068 49.156 120 HB3 ASP 16 HB3 ASP 16 45.087 46.143 49.687 121 H ARG 17 H ARG 17 44.503 48.425 48.701 122 HA ARG 17 HA ARG 17 41.881 48.189 47.396 123 HB2 ARG 17 HB2 ARG 17 42.735 50.128 49.559 124 HB3 ARG 17 HB3 ARG 17 41.102 49.741 49.051 125 HG2 ARG 17 HG2 ARG 17 43.054 47.847 50.419 126 HG3 ARG 17 HG3 ARG 17 41.708 48.665 51.186 127 HD2 ARG 17 HD2 ARG 17 40.324 47.344 49.252 128 HD3 ARG 17 HD3 ARG 17 41.704 46.259 49.408 129 HE ARG 17 HE ARG 17 39.790 47.185 51.560 130 HH11 ARG 17 HH11 ARG 17 42.211 44.759 50.679 131 HH12 ARG 17 HH12 ARG 17 41.544 43.692 51.906 132 HH21 ARG 17 HH21 ARG 17 38.898 45.495 52.773 133 HH22 ARG 17 HH22 ARG 17 39.892 44.091 53.061 134 H THR 18 H THR 18 44.343 49.273 45.880 135 HA THR 18 HA THR 18 43.258 51.871 44.923 136 HB THR 18 HB THR 18 45.912 51.564 46.362 137 HG1 THR 18 HG1 THR 18 44.912 52.653 47.863 138 HG21 THR 18 HG21 THR 18 44.651 54.144 45.380 139 HG22 THR 18 HG22 THR 18 46.314 53.881 45.956 140 HG23 THR 18 HG23 THR 18 45.840 53.321 44.350 141 H LEU 19 H LEU 19 44.139 52.600 42.939 142 HA LEU 19 HA LEU 19 44.519 50.255 41.308 143 HB2 LEU 19 HB2 LEU 19 42.739 52.069 41.078 144 HB3 LEU 19 HB3 LEU 19 44.006 53.170 40.587 145 HG LEU 19 HG LEU 19 44.452 51.840 38.534 146 HD11 LEU 19 HD11 LEU 19 42.209 50.054 39.580 147 HD12 LEU 19 HD12 LEU 19 42.996 49.920 37.965 148 HD13 LEU 19 HD13 LEU 19 43.909 49.597 39.395 149 HD21 LEU 19 HD21 LEU 19 42.916 53.689 38.533 150 HD22 LEU 19 HD22 LEU 19 42.289 52.450 37.443 151 HD23 LEU 19 HD23 LEU 19 41.580 52.663 39.072 152 H PHE 20 H PHE 20 46.377 49.714 40.191 153 HA PHE 20 HA PHE 20 48.682 51.454 40.318 154 HB2 PHE 20 HB2 PHE 20 48.618 48.841 40.149 155 HB3 PHE 20 HB3 PHE 20 48.474 49.109 38.425 156 HD1 PHE 20 HD1 PHE 20 50.396 50.606 37.295 157 HD2 PHE 20 HD2 PHE 20 50.674 48.822 41.211 158 HE1 PHE 20 HE1 PHE 20 52.843 50.903 37.259 159 HE2 PHE 20 HE2 PHE 20 53.141 49.139 41.166 160 HZ PHE 20 HZ PHE 20 54.219 50.213 39.209 161 H VAL 21 H VAL 21 49.476 52.889 38.869 162 HA VAL 21 HA VAL 21 48.524 52.796 36.069 163 HB VAL 21 HB VAL 21 49.139 55.426 37.413 164 HG11 VAL 21 HG11 VAL 21 47.488 54.841 34.916 165 HG12 VAL 21 HG12 VAL 21 48.141 56.418 35.481 166 HG13 VAL 21 HG13 VAL 21 49.211 55.196 34.848 167 HG21 VAL 21 HG21 VAL 21 47.086 54.656 38.599 168 HG22 VAL 21 HG22 VAL 21 46.795 56.040 37.560 169 HG23 VAL 21 HG23 VAL 21 46.261 54.425 37.060 170 H GLY 22 H GLY 22 50.080 52.916 34.665 171 HA2 GLY 22 HA2 GLY 22 52.899 53.441 35.483 172 HA3 GLY 22 HA3 GLY 22 52.477 51.962 34.724 173 H ASN 23 H ASN 23 54.211 53.205 33.365 174 HA ASN 23 HA ASN 23 54.868 54.034 31.324 175 HB2 ASN 23 HB2 ASN 23 52.621 52.805 30.594 176 HB3 ASN 23 HB3 ASN 23 52.008 54.439 30.446 177 HD21 ASN 23 HD21 ASN 23 51.738 54.422 28.198 178 HD22 ASN 23 HD22 ASN 23 53.096 54.291 27.078 179 H LEU 24 H LEU 24 54.279 55.643 33.650 180 HA LEU 24 HA LEU 24 53.142 58.186 32.953 181 HB2 LEU 24 HB2 LEU 24 55.176 57.543 35.113 182 HB3 LEU 24 HB3 LEU 24 54.362 59.049 34.946 183 HG LEU 24 HG LEU 24 53.638 57.249 36.714 184 HD11 LEU 24 HD11 LEU 24 51.618 58.911 35.207 185 HD12 LEU 24 HD12 LEU 24 51.331 58.133 36.782 186 HD13 LEU 24 HD13 LEU 24 52.548 59.376 36.679 187 HD21 LEU 24 HD21 LEU 24 53.061 55.493 35.116 188 HD22 LEU 24 HD22 LEU 24 51.619 55.985 36.056 189 HD23 LEU 24 HD23 LEU 24 51.801 56.517 34.386 190 H GLU 25 H GLU 25 54.168 60.165 32.995 191 HA GLU 25 HA GLU 25 56.384 60.163 31.088 192 HB2 GLU 25 HB2 GLU 25 54.273 61.978 31.494 193 HB3 GLU 25 HB3 GLU 25 55.694 62.803 32.169 194 HG2 GLU 25 HG2 GLU 25 55.880 61.467 29.485 195 HG3 GLU 25 HG3 GLU 25 55.064 62.992 29.557 196 H THR 26 H THR 26 58.179 61.577 31.373 197 HA THR 26 HA THR 26 59.757 60.978 33.701 198 HB THR 26 HB THR 26 61.536 62.075 32.659 199 HG1 THR 26 HG1 THR 26 59.985 63.163 30.630 200 HG21 THR 26 HG21 THR 26 59.828 60.747 30.480 201 HG22 THR 26 HG22 THR 26 61.597 60.936 30.457 202 HG23 THR 26 HG23 THR 26 60.804 59.908 31.656 203 H LYS 27 H LYS 27 57.764 63.745 32.754 204 HA LYS 27 HA LYS 27 58.148 64.863 35.499 205 HB2 LYS 27 HB2 LYS 27 57.444 66.302 32.935 206 HB3 LYS 27 HB3 LYS 27 57.667 67.074 34.481 207 HG2 LYS 27 HG2 LYS 27 59.945 65.401 33.305 208 HG3 LYS 27 HG3 LYS 27 59.627 67.041 32.765 209 HD2 LYS 27 HD2 LYS 27 60.119 66.266 35.691 210 HD3 LYS 27 HD3 LYS 27 61.382 66.792 34.569 211 HE2 LYS 27 HE2 LYS 27 60.179 68.875 34.156 212 HE3 LYS 27 HE3 LYS 27 58.936 68.416 35.333 213 HZ1 LYS 27 HZ1 LYS 27 60.870 68.155 36.947 214 HZ2 LYS 27 HZ2 LYS 27 61.795 68.916 35.882 215 HZ3 LYS 27 HZ3 LYS 27 60.558 69.688 36.570 216 H VAL 28 H VAL 28 55.994 62.840 34.709 217 HA VAL 28 HA VAL 28 53.418 64.048 34.893 218 HB VAL 28 HB VAL 28 53.949 61.566 34.559 219 HG11 VAL 28 HG11 VAL 28 55.673 61.407 36.323 220 HG12 VAL 28 HG12 VAL 28 54.444 61.670 37.567 221 HG13 VAL 28 HG13 VAL 28 54.443 60.186 36.613 222 HG21 VAL 28 HG21 VAL 28 51.703 62.738 35.413 223 HG22 VAL 28 HG22 VAL 28 51.841 61.017 35.211 224 HG23 VAL 28 HG23 VAL 28 52.025 61.733 36.835 225 H THR 29 H THR 29 52.006 64.187 36.845 226 HA THR 29 HA THR 29 53.122 64.409 39.545 227 HB THR 29 HB THR 29 52.061 66.820 39.653 228 HG1 THR 29 HG1 THR 29 52.446 67.884 37.697 229 HG21 THR 29 HG21 THR 29 54.818 66.530 38.404 230 HG22 THR 29 HG22 THR 29 54.220 67.794 39.506 231 HG23 THR 29 HG23 THR 29 54.427 66.141 40.086 232 H GLU 30 H GLU 30 51.508 64.863 41.098 233 HA GLU 30 HA GLU 30 49.210 63.266 40.864 234 HB2 GLU 30 HB2 GLU 30 49.841 65.552 42.815 235 HB3 GLU 30 HB3 GLU 30 48.652 64.282 43.099 236 HG2 GLU 30 HG2 GLU 30 50.553 62.613 42.774 237 HG3 GLU 30 HG3 GLU 30 51.659 63.986 42.870 238 H GLU 31 H GLU 31 49.752 66.686 40.386 239 HA GLU 31 HA GLU 31 47.017 67.589 40.093 240 HB2 GLU 31 HB2 GLU 31 49.619 68.689 38.991 241 HB3 GLU 31 HB3 GLU 31 48.114 69.592 39.114 242 HG2 GLU 31 HG2 GLU 31 48.287 69.456 41.647 243 HG3 GLU 31 HG3 GLU 31 49.795 68.617 41.475 244 H LEU 32 H LEU 32 49.415 66.271 37.767 245 HA LEU 32 HA LEU 32 47.607 66.651 35.501 246 HB2 LEU 32 HB2 LEU 32 50.040 66.607 35.100 247 HB3 LEU 32 HB3 LEU 32 50.197 65.066 35.923 248 HG LEU 32 HG LEU 32 49.001 63.882 34.200 249 HD11 LEU 32 HD11 LEU 32 47.409 65.626 33.424 250 HD12 LEU 32 HD12 LEU 32 48.754 66.559 32.747 251 HD13 LEU 32 HD13 LEU 32 48.335 64.947 32.092 252 HD21 LEU 32 HD21 LEU 32 50.689 63.863 32.644 253 HD22 LEU 32 HD22 LEU 32 50.949 65.644 32.713 254 HD23 LEU 32 HD23 LEU 32 51.522 64.632 34.026 255 H LEU 33 H LEU 33 48.428 63.944 37.674 256 HA LEU 33 HA LEU 33 46.716 61.994 36.418 257 HB2 LEU 33 HB2 LEU 33 47.717 62.407 39.236 258 HB3 LEU 33 HB3 LEU 33 46.932 60.894 38.750 259 HG LEU 33 HG LEU 33 49.617 62.007 37.875 260 HD11 LEU 33 HD11 LEU 33 48.978 59.518 39.484 261 HD12 LEU 33 HD12 LEU 33 50.578 60.058 38.930 262 HD13 LEU 33 HD13 LEU 33 49.664 61.061 40.058 263 HD21 LEU 33 HD21 LEU 33 50.075 60.201 36.502 264 HD22 LEU 33 HD22 LEU 33 48.602 59.311 36.912 265 HD23 LEU 33 HD23 LEU 33 48.517 60.815 35.950 266 H PHE 34 H PHE 34 46.006 64.084 39.291 267 HA PHE 34 HA PHE 34 43.399 63.255 39.620 268 HB2 PHE 34 HB2 PHE 34 44.813 64.830 41.103 269 HB3 PHE 34 HB3 PHE 34 44.216 66.132 40.105 270 HD1 PHE 34 HD1 PHE 34 41.769 66.710 40.130 271 HD2 PHE 34 HD2 PHE 34 43.373 63.624 42.664 272 HE1 PHE 34 HE1 PHE 34 39.669 66.706 41.494 273 HE2 PHE 34 HE2 PHE 34 41.170 63.453 43.835 274 HZ PHE 34 HZ PHE 34 39.339 64.987 43.242 275 H GLU 35 H GLU 35 44.475 65.947 37.388 276 HA GLU 35 HA GLU 35 41.748 66.480 36.600 277 HB2 GLU 35 HB2 GLU 35 42.592 67.957 34.953 278 HB3 GLU 35 HB3 GLU 35 43.613 68.175 36.385 279 HG2 GLU 35 HG2 GLU 35 45.425 67.005 35.418 280 HG3 GLU 35 HG3 GLU 35 44.452 66.478 34.036 281 H LEU 36 H LEU 36 44.152 64.192 35.410 282 HA LEU 36 HA LEU 36 42.740 63.570 32.959 283 HB2 LEU 36 HB2 LEU 36 45.178 63.363 33.170 284 HB3 LEU 36 HB3 LEU 36 45.016 62.285 34.525 285 HG LEU 36 HG LEU 36 43.827 61.328 31.906 286 HD11 LEU 36 HD11 LEU 36 46.777 61.189 32.649 287 HD12 LEU 36 HD12 LEU 36 45.975 60.382 31.267 288 HD13 LEU 36 HD13 LEU 36 46.130 62.141 31.300 289 HD21 LEU 36 HD21 LEU 36 45.358 60.058 34.209 290 HD22 LEU 36 HD22 LEU 36 43.606 60.051 34.066 291 HD23 LEU 36 HD23 LEU 36 44.570 59.184 32.859 292 H PHE 37 H PHE 37 42.771 62.196 36.249 293 HA PHE 37 HA PHE 37 40.818 60.145 35.403 294 HB2 PHE 37 HB2 PHE 37 42.212 60.491 38.072 295 HB3 PHE 37 HB3 PHE 37 41.178 59.141 37.558 296 HD1 PHE 37 HD2 PHE 37 41.960 57.754 35.534 297 HD2 PHE 37 HD1 PHE 37 44.554 60.215 37.923 298 HE1 PHE 37 HE2 PHE 37 43.942 56.475 34.716 299 HE2 PHE 37 HE1 PHE 37 46.518 59.010 37.068 300 HZ PHE 37 HZ PHE 37 46.215 57.104 35.457 301 H HIS 38 H HIS 38 40.584 63.236 36.935 302 HA HIS 38 HA HIS 38 37.961 63.053 38.085 303 HB2 HIS 38 HB2 HIS 38 39.294 64.967 38.458 304 HB3 HIS 38 HB3 HIS 38 39.688 65.175 36.782 305 HD2 HIS 38 HD2 HIS 38 38.289 66.827 35.413 306 HE1 HIS 38 HE1 HIS 38 35.556 68.001 38.452 307 HE2 HIS 38 HE2 HIS 38 36.412 68.542 36.172 308 H GLN 39 H GLN 39 39.031 63.233 34.703 309 HA GLN 39 HA GLN 39 36.471 63.166 33.436 310 HB2 GLN 39 HB2 GLN 39 39.138 61.956 32.578 311 HB3 GLN 39 HB3 GLN 39 37.744 62.129 31.540 312 HG2 GLN 39 HG2 GLN 39 39.198 64.439 32.910 313 HG3 GLN 39 HG3 GLN 39 39.345 63.985 31.195 314 HE21 GLN 39 HE22 GLN 39 37.096 63.976 29.981 315 HE22 GLN 39 HE21 GLN 39 35.954 65.202 30.506 316 H ALA 40 H ALA 40 38.487 60.564 34.825 317 HA ALA 40 HA ALA 40 36.710 58.467 33.835 318 HB1 ALA 40 HB1 ALA 40 39.078 58.140 35.697 319 HB2 ALA 40 HB2 ALA 40 38.398 56.972 34.527 320 HB3 ALA 40 HB3 ALA 40 39.314 58.362 33.960 321 H GLY 41 H GLY 41 36.405 60.569 36.348 322 HA2 GLY 41 HA2 GLY 41 34.092 60.127 37.260 323 HA3 GLY 41 HA3 GLY 41 34.780 58.672 37.988 324 HA PRO 42 HA PRO 42 35.056 61.900 41.314 325 HB2 PRO 42 HB2 PRO 42 33.978 60.169 43.208 326 HB3 PRO 42 HB3 PRO 42 33.095 61.445 42.331 327 HG2 PRO 42 HG2 PRO 42 33.258 58.487 41.699 328 HG3 PRO 42 HG3 PRO 42 31.821 59.566 41.621 329 HD2 PRO 42 HD2 PRO 42 33.131 58.899 39.390 330 HD3 PRO 42 HD3 PRO 42 32.545 60.575 39.644 331 H VAL 43 H VAL 43 37.343 61.647 41.323 332 HA VAL 43 HA VAL 43 38.642 59.227 42.397 333 HB VAL 43 HB VAL 43 39.669 61.885 41.354 334 HG11 VAL 43 HG11 VAL 43 41.206 59.641 42.688 335 HG12 VAL 43 HG12 VAL 43 41.958 60.750 41.517 336 HG13 VAL 43 HG13 VAL 43 41.221 61.394 42.997 337 HG21 VAL 43 HG21 VAL 43 40.670 60.655 39.572 338 HG22 VAL 43 HG22 VAL 43 40.139 59.097 40.216 339 HG23 VAL 43 HG23 VAL 43 38.936 60.292 39.625 340 H ILE 44 H ILE 44 39.311 58.966 44.318 341 HA ILE 44 HA ILE 44 38.535 60.839 46.444 342 HB ILE 44 HB ILE 44 39.773 58.054 46.519 343 HG12 ILE 44 HG12 ILE 44 37.633 57.747 45.589 344 HG13 ILE 44 HG13 ILE 44 37.407 57.379 47.281 345 HG21 ILE 44 HG21 ILE 44 38.645 59.635 48.842 346 HG22 ILE 44 HG22 ILE 44 39.251 57.957 48.861 347 HG23 ILE 44 HG23 ILE 44 40.359 59.253 48.525 348 HD11 ILE 44 HD11 ILE 44 36.469 59.650 47.664 349 HD12 ILE 44 HD12 ILE 44 36.568 59.971 45.913 350 HD13 ILE 44 HD13 ILE 44 35.517 58.692 46.514 351 H LYS 45 H LYS 45 41.580 59.485 45.179 352 HA LYS 45 HA LYS 45 43.151 61.747 45.953 353 HB2 LYS 45 HB2 LYS 45 44.503 60.755 47.683 354 HB3 LYS 45 HB3 LYS 45 42.807 60.911 48.163 355 HG2 LYS 45 HG2 LYS 45 42.458 58.470 47.666 356 HG3 LYS 45 HG3 LYS 45 44.223 58.343 47.441 357 HD2 LYS 45 HD2 LYS 45 43.589 57.658 49.675 358 HD3 LYS 45 HD3 LYS 45 44.554 59.158 49.708 359 HE2 LYS 45 HE2 LYS 45 42.103 60.284 49.813 360 HE3 LYS 45 HE3 LYS 45 41.640 58.706 50.427 361 HZ1 LYS 45 HZ1 LYS 45 42.292 60.262 52.183 362 HZ2 LYS 45 HZ2 LYS 45 43.275 58.945 52.155 363 HZ3 LYS 45 HZ3 LYS 45 43.777 60.378 51.558 364 H VAL 46 H VAL 46 45.220 61.633 45.073 365 HA VAL 46 HA VAL 46 46.103 59.305 43.434 366 HB VAL 46 HB VAL 46 46.672 62.294 43.299 367 HG11 VAL 46 HG11 VAL 46 48.577 61.033 42.431 368 HG12 VAL 46 HG12 VAL 46 47.483 60.071 41.404 369 HG13 VAL 46 HG13 VAL 46 47.720 61.835 41.130 370 HG21 VAL 46 HG21 VAL 46 44.369 61.809 42.520 371 HG22 VAL 46 HG22 VAL 46 45.434 62.398 41.235 372 HG23 VAL 46 HG23 VAL 46 45.016 60.669 41.318 373 H LYS 47 H LYS 47 48.205 58.768 43.457 374 HA LYS 47 HA LYS 47 50.073 59.931 45.453 375 HB2 LYS 47 HB2 LYS 47 49.388 57.892 46.437 376 HB3 LYS 47 HB3 LYS 47 49.305 57.060 44.877 377 HG2 LYS 47 HG2 LYS 47 51.194 56.237 46.179 378 HG3 LYS 47 HG3 LYS 47 51.757 56.999 44.704 379 HD2 LYS 47 HD2 LYS 47 52.353 59.063 45.999 380 HD3 LYS 47 HD3 LYS 47 51.657 58.311 47.450 381 HE2 LYS 47 HE2 LYS 47 53.216 56.393 47.154 382 HE3 LYS 47 HE3 LYS 47 54.065 57.304 45.888 383 HZ1 LYS 47 HZ1 LYS 47 55.162 57.867 47.886 384 HZ2 LYS 47 HZ2 LYS 47 54.153 59.096 47.707 385 HZ3 LYS 47 HZ3 LYS 47 53.761 57.919 48.756 386 H ILE 48 H ILE 48 51.666 60.809 44.370 387 HA ILE 48 HA ILE 48 52.954 59.336 42.150 388 HB ILE 48 HB ILE 48 53.016 62.159 43.145 389 HG12 ILE 48 HG12 ILE 48 51.569 61.282 41.233 390 HG13 ILE 48 HG13 ILE 48 52.504 62.757 40.968 391 HG21 ILE 48 HG21 ILE 48 55.316 60.949 41.599 392 HG22 ILE 48 HG22 ILE 48 55.020 62.697 41.748 393 HG23 ILE 48 HG23 ILE 48 55.369 61.741 43.182 394 HD11 ILE 48 HD11 ILE 48 54.178 61.469 39.671 395 HD12 ILE 48 HD12 ILE 48 53.236 59.984 39.927 396 HD13 ILE 48 HD13 ILE 48 52.554 61.336 38.988 397 HA PRO 49 HA PRO 49 56.114 58.034 45.310 398 HB2 PRO 49 HB2 PRO 49 57.623 56.600 43.511 399 HB3 PRO 49 HB3 PRO 49 56.187 55.921 44.301 400 HG2 PRO 49 HG2 PRO 49 56.460 57.211 41.572 401 HG3 PRO 49 HG3 PRO 49 55.530 55.722 41.965 402 HD2 PRO 49 HD2 PRO 49 54.420 58.136 41.594 403 HD3 PRO 49 HD3 PRO 49 53.715 57.011 42.797 404 H LYS 50 H LYS 50 58.572 58.436 45.274 405 HA LYS 50 HA LYS 50 59.737 59.938 43.133 406 HB2 LYS 50 HB2 LYS 50 58.882 61.415 45.608 407 HB3 LYS 50 HB3 LYS 50 60.433 61.841 44.911 408 HG2 LYS 50 HG2 LYS 50 58.994 61.725 42.604 409 HG3 LYS 50 HG3 LYS 50 57.702 62.159 43.711 410 HD2 LYS 50 HD2 LYS 50 58.998 64.169 44.396 411 HD3 LYS 50 HD3 LYS 50 60.333 63.678 43.383 412 HE2 LYS 50 HE2 LYS 50 58.838 63.679 41.349 413 HE3 LYS 50 HE3 LYS 50 57.480 64.180 42.341 414 HZ1 LYS 50 HZ1 LYS 50 59.909 65.761 41.827 415 HZ2 LYS 50 HZ2 LYS 50 58.436 66.077 41.226 416 HZ3 LYS 50 HZ3 LYS 50 58.725 66.224 42.825 417 H ASP 51 H ASP 51 61.353 58.950 42.897 418 HA ASP 51 HA ASP 51 63.188 57.510 44.425 419 HB2 ASP 51 HB2 ASP 51 62.977 57.705 41.851 420 HB3 ASP 51 HB3 ASP 51 63.852 59.233 41.993 421 H LYS 52 H LYS 52 65.535 57.959 44.697 422 HA LYS 52 HA LYS 52 66.083 60.184 46.416 423 HB2 LYS 52 HB2 LYS 52 68.403 59.558 46.227 424 HB3 LYS 52 HB3 LYS 52 67.421 58.099 46.466 425 HG2 LYS 52 HG2 LYS 52 68.702 57.275 44.870 426 HG3 LYS 52 HG3 LYS 52 67.471 58.007 43.832 427 HD2 LYS 52 HD2 LYS 52 69.065 60.007 43.558 428 HD3 LYS 52 HD3 LYS 52 70.249 59.089 44.520 429 HE2 LYS 52 HE2 LYS 52 70.153 57.221 42.961 430 HE3 LYS 52 HE3 LYS 52 68.894 58.045 42.012 431 HZ1 LYS 52 HZ1 LYS 52 70.567 59.804 41.626 432 HZ2 LYS 52 HZ2 LYS 52 71.679 58.925 42.405 433 HZ3 LYS 52 HZ3 LYS 52 71.013 58.384 41.028 434 H ASP 53 H ASP 53 66.236 59.744 42.913 435 HA ASP 53 HA ASP 53 67.401 62.331 42.466 436 HB2 ASP 53 HB2 ASP 53 67.723 60.254 41.024 437 HB3 ASP 53 HB3 ASP 53 66.066 60.420 40.476 438 H GLY 54 H GLY 54 64.284 61.576 43.327 439 HA2 GLY 54 HA2 GLY 54 62.444 62.940 43.625 440 HA3 GLY 54 HA3 GLY 54 63.126 64.201 42.623 441 H LYS 55 H LYS 55 62.547 60.720 41.906 442 HA LYS 55 HA LYS 55 60.719 61.617 39.763 443 HB2 LYS 55 HB2 LYS 55 63.057 61.011 39.024 444 HB3 LYS 55 HB3 LYS 55 62.691 59.326 39.510 445 HG2 LYS 55 HG2 LYS 55 62.342 59.339 37.190 446 HG3 LYS 55 HG3 LYS 55 60.733 59.436 37.873 447 HD2 LYS 55 HD2 LYS 55 60.659 61.073 36.239 448 HD3 LYS 55 HD3 LYS 55 61.066 62.054 37.657 449 HE2 LYS 55 HE2 LYS 55 63.507 61.830 37.037 450 HE3 LYS 55 HE3 LYS 55 62.989 61.154 35.497 451 HZ1 LYS 55 HZ1 LYS 55 62.815 63.871 36.533 452 HZ2 LYS 55 HZ2 LYS 55 62.992 63.409 35.000 453 HZ3 LYS 55 HZ3 LYS 55 61.518 63.396 35.646 454 HA PRO 56 HA PRO 56 58.017 58.503 41.174 455 HB2 PRO 56 HB2 PRO 56 56.209 58.553 38.932 456 HB3 PRO 56 HB3 PRO 56 56.186 59.734 40.306 457 HG2 PRO 56 HG2 PRO 56 57.497 59.762 37.611 458 HG3 PRO 56 HG3 PRO 56 56.567 61.102 38.414 459 HD2 PRO 56 HD2 PRO 56 59.279 61.058 38.331 460 HD3 PRO 56 HD3 PRO 56 58.436 61.651 39.776 461 H LYS 57 H LYS 57 60.292 57.724 39.124 462 HA LYS 57 HA LYS 57 60.933 55.790 37.984 463 HB2 LYS 57 HB2 LYS 57 58.981 54.494 39.891 464 HB3 LYS 57 HB3 LYS 57 60.414 53.777 39.143 465 HG2 LYS 57 HG2 LYS 57 61.420 54.274 41.129 466 HG3 LYS 57 HG3 LYS 57 61.543 55.906 40.523 467 HD2 LYS 57 HD2 LYS 57 59.425 56.552 41.702 468 HD3 LYS 57 HD3 LYS 57 59.197 54.870 42.216 469 HE2 LYS 57 HE2 LYS 57 61.736 56.304 42.896 470 HE3 LYS 57 HE3 LYS 57 60.205 56.795 43.678 471 HZ1 LYS 57 HZ1 LYS 57 61.314 55.054 44.975 472 HZ2 LYS 57 HZ2 LYS 57 59.884 54.592 44.432 473 HZ3 LYS 57 HZ3 LYS 57 61.203 54.017 43.689 474 H GLN 58 H GLN 58 58.627 57.162 36.702 475 HA GLN 58 HA GLN 58 57.078 57.005 35.197 476 HB2 GLN 58 HB2 GLN 58 58.683 54.601 34.422 477 HB3 GLN 58 HB3 GLN 58 57.218 55.074 33.535 478 HG2 GLN 58 HG2 GLN 58 58.359 57.396 33.286 479 HG3 GLN 58 HG3 GLN 58 59.824 56.553 33.758 480 HE21 GLN 58 HE21 GLN 58 57.314 56.700 31.095 481 HE22 GLN 58 HE22 GLN 58 58.287 55.682 30.023 482 H PHE 59 H PHE 59 56.199 56.049 37.689 483 HA PHE 59 HA PHE 59 53.738 54.618 36.938 484 HB2 PHE 59 HB2 PHE 59 53.827 52.850 38.143 485 HB3 PHE 59 HB3 PHE 59 55.473 52.954 37.564 486 HD1 PHE 59 HD1 PHE 59 53.279 53.183 40.602 487 HD2 PHE 59 HD2 PHE 59 57.349 53.147 39.159 488 HE1 PHE 59 HE1 PHE 59 54.111 53.002 42.918 489 HE2 PHE 59 HE2 PHE 59 58.146 52.810 41.500 490 HZ PHE 59 HZ PHE 59 56.537 52.738 43.362 491 H ALA 60 H ALA 60 52.043 54.763 38.684 492 HA ALA 60 HA ALA 60 52.481 56.373 41.040 493 HB1 ALA 60 HB1 ALA 60 50.377 57.270 39.029 494 HB2 ALA 60 HB2 ALA 60 50.916 58.156 40.450 495 HB3 ALA 60 HB3 ALA 60 52.009 58.005 39.065 496 H PHE 61 H PHE 61 50.146 56.609 42.140 497 HA PHE 61 HA PHE 61 48.301 54.397 41.411 498 HB2 PHE 61 HB2 PHE 61 49.531 55.016 44.103 499 HB3 PHE 61 HB3 PHE 61 47.914 54.356 44.038 500 HD1 PHE 61 HD2 PHE 61 51.482 53.781 43.448 501 HD2 PHE 61 HD1 PHE 61 47.567 51.989 43.316 502 HE1 PHE 61 HE2 PHE 61 52.519 51.530 43.435 503 HE2 PHE 61 HE1 PHE 61 48.596 49.737 43.363 504 HZ PHE 61 HZ PHE 61 51.082 49.505 43.505 505 H VAL 62 H VAL 62 46.111 54.612 41.996 506 HA VAL 62 HA VAL 62 45.130 57.292 42.805 507 HB VAL 62 HB VAL 62 44.041 55.824 40.376 508 HG11 VAL 62 HG11 VAL 62 43.461 58.609 41.476 509 HG12 VAL 62 HG12 VAL 62 42.828 57.949 39.952 510 HG13 VAL 62 HG13 VAL 62 42.350 57.224 41.478 511 HG21 VAL 62 HG21 VAL 62 45.807 58.308 40.341 512 HG22 VAL 62 HG22 VAL 62 46.233 56.693 39.737 513 HG23 VAL 62 HG23 VAL 62 44.925 57.590 38.968 514 H ASN 63 H ASN 63 43.506 57.158 44.177 515 HA ASN 63 HA ASN 63 42.097 54.598 44.728 516 HB2 ASN 63 HB2 ASN 63 43.218 56.210 46.520 517 HB3 ASN 63 HB3 ASN 63 41.799 57.176 46.252 518 HD21 ASN 63 HD22 ASN 63 42.906 54.007 47.536 519 HD22 ASN 63 HD21 ASN 63 41.393 53.677 48.328 520 H PHE 64 H PHE 64 39.796 54.365 44.415 521 HA PHE 64 HA PHE 64 38.224 56.832 43.847 522 HB2 PHE 64 HB2 PHE 64 37.360 56.139 41.834 523 HB3 PHE 64 HB3 PHE 64 39.102 56.094 41.683 524 HD1 PHE 64 HD2 PHE 64 40.289 53.775 41.985 525 HD2 PHE 64 HD1 PHE 64 36.028 54.219 41.614 526 HE1 PHE 64 HE2 PHE 64 40.111 51.411 41.247 527 HE2 PHE 64 HE1 PHE 64 35.829 51.827 40.991 528 HZ PHE 64 HZ PHE 64 37.873 50.461 40.656 529 H LYS 65 H LYS 65 38.313 54.109 45.730 530 HA LYS 65 HA LYS 65 35.561 53.802 46.363 531 HB2 LYS 65 HB2 LYS 65 35.584 52.781 44.054 532 HB3 LYS 65 HB3 LYS 65 36.600 51.479 44.703 533 HG2 LYS 65 HG2 LYS 65 34.812 50.751 46.164 534 HG3 LYS 65 HG3 LYS 65 33.841 52.197 45.786 535 HD2 LYS 65 HD2 LYS 65 33.732 51.482 43.403 536 HD3 LYS 65 HD3 LYS 65 34.653 50.019 43.818 537 HE2 LYS 65 HE2 LYS 65 32.556 49.159 43.870 538 HE3 LYS 65 HE3 LYS 65 32.695 49.637 45.541 539 HZ1 LYS 65 HZ1 LYS 65 31.568 51.753 44.876 540 HZ2 LYS 65 HZ2 LYS 65 31.254 51.118 43.393 541 HZ3 LYS 65 HZ3 LYS 65 30.665 50.449 44.745 542 H HIS 66 H HIS 66 35.265 52.040 48.085 543 HA HIS 66 HA HIS 66 37.617 51.729 49.719 544 HB2 HIS 66 HB2 HIS 66 34.954 50.314 50.100 545 HB3 HIS 66 HB3 HIS 66 36.229 50.566 51.286 546 HD2 HIS 66 HD2 HIS 66 36.936 53.566 51.015 547 HE1 HIS 66 HE1 HIS 66 32.849 54.277 51.911 548 HE2 HIS 66 HE2 HIS 66 35.144 55.332 51.764 549 H GLU 67 H GLU 67 35.828 49.218 47.886 550 HA GLU 67 HA GLU 67 38.330 47.571 47.893 551 HB2 GLU 67 HB2 GLU 67 35.396 46.906 47.890 552 HB3 GLU 67 HB3 GLU 67 36.561 45.824 47.089 553 HG2 GLU 67 HG2 GLU 67 37.865 45.647 49.163 554 HG3 GLU 67 HG3 GLU 67 36.782 46.789 49.970 555 H VAL 68 H VAL 68 38.930 46.777 45.901 556 HA VAL 68 HA VAL 68 38.288 48.642 43.723 557 HB VAL 68 HB VAL 68 40.478 46.506 43.768 558 HG11 VAL 68 HG11 VAL 68 39.614 48.563 41.731 559 HG12 VAL 68 HG12 VAL 68 41.252 47.868 41.753 560 HG13 VAL 68 HG13 VAL 68 39.857 46.804 41.570 561 HG21 VAL 68 HG21 VAL 68 42.037 48.330 44.018 562 HG22 VAL 68 HG22 VAL 68 40.727 49.540 44.061 563 HG23 VAL 68 HG23 VAL 68 40.910 48.363 45.376 564 H SER 69 H SER 69 36.435 48.189 43.007 565 HA SER 69 HA SER 69 35.550 45.527 42.211 566 HB2 SER 69 HB2 SER 69 33.751 46.809 41.026 567 HB3 SER 69 HB3 SER 69 33.780 47.043 42.773 568 HG SER 69 HG SER 69 33.721 49.016 41.466 569 H VAL 70 H VAL 70 35.707 48.369 40.060 570 HA VAL 70 HA VAL 70 37.701 47.225 38.266 571 HB VAL 70 HB VAL 70 35.869 45.785 37.844 572 HG11 VAL 70 HG11 VAL 70 33.936 47.172 38.639 573 HG12 VAL 70 HG12 VAL 70 34.008 48.042 37.088 574 HG13 VAL 70 HG13 VAL 70 33.687 46.289 37.142 575 HG21 VAL 70 HG21 VAL 70 37.160 46.704 35.824 576 HG22 VAL 70 HG22 VAL 70 35.608 45.876 35.567 577 HG23 VAL 70 HG23 VAL 70 35.688 47.651 35.481 578 HA PRO 71 HA PRO 71 37.656 51.671 37.658 579 HB2 PRO 71 HB2 PRO 71 40.000 52.137 36.398 580 HB3 PRO 71 HB3 PRO 71 39.968 51.382 38.021 581 HG2 PRO 71 HG2 PRO 71 40.143 50.042 35.318 582 HG3 PRO 71 HG3 PRO 71 41.209 49.741 36.716 583 HD2 PRO 71 HD2 PRO 71 39.062 48.163 36.185 584 HD3 PRO 71 HD3 PRO 71 39.574 48.541 37.871 585 H TYR 72 H TYR 72 37.112 53.359 36.122 586 HA TYR 72 HA TYR 72 36.209 52.573 33.469 587 HB2 TYR 72 HB2 TYR 72 35.262 54.529 34.945 588 HB3 TYR 72 HB3 TYR 72 36.689 55.404 34.439 589 HD1 TYR 72 HD2 TYR 72 35.074 53.272 31.864 590 HD2 TYR 72 HD1 TYR 72 35.104 57.123 33.761 591 HE1 TYR 72 HE2 TYR 72 33.808 54.264 29.929 592 HE2 TYR 72 HE1 TYR 72 34.035 58.142 31.749 593 HH TYR 72 HH TYR 72 33.282 57.676 29.580 594 H ALA 73 H ALA 73 38.982 54.359 34.761 595 HA ALA 73 HA ALA 73 39.822 55.715 32.544 596 HB1 ALA 73 HB1 ALA 73 41.357 54.716 34.973 597 HB2 ALA 73 HB2 ALA 73 42.061 55.797 33.746 598 HB3 ALA 73 HB3 ALA 73 40.661 56.315 34.694 599 H MET 74 H MET 74 41.026 52.466 33.481 600 HA MET 74 HA MET 74 42.907 51.962 31.533 601 HB2 MET 74 HB2 MET 74 42.327 49.588 31.809 602 HB3 MET 74 HB3 MET 74 42.260 50.430 33.379 603 HG2 MET 74 HG2 MET 74 40.421 49.111 33.527 604 HG3 MET 74 HG3 MET 74 39.646 50.526 32.794 605 HE1 MET 74 HE1 MET 74 38.229 48.004 33.153 606 HE2 MET 74 HE2 MET 74 37.445 49.043 31.953 607 HE3 MET 74 HE3 MET 74 37.739 47.322 31.592 608 H ASN 75 H ASN 75 39.522 52.135 30.968 609 HA ASN 75 HA ASN 75 39.848 51.329 28.101 610 HB2 ASN 75 HB2 ASN 75 38.247 50.096 29.505 611 HB3 ASN 75 HB3 ASN 75 37.485 51.640 29.959 612 HD21 ASN 75 HD22 ASN 75 36.306 52.860 28.344 613 HD22 ASN 75 HD21 ASN 75 35.495 51.882 27.133 614 H LEU 76 H LEU 76 38.862 54.006 30.313 615 HA LEU 76 HA LEU 76 37.693 55.612 28.342 616 HB2 LEU 76 HB2 LEU 76 37.485 56.000 30.862 617 HB3 LEU 76 HB3 LEU 76 39.170 56.518 30.860 618 HG LEU 76 HG LEU 76 38.759 58.452 29.552 619 HD11 LEU 76 HD11 LEU 76 37.150 57.778 27.952 620 HD12 LEU 76 HD12 LEU 76 35.937 57.403 29.196 621 HD13 LEU 76 HD13 LEU 76 36.415 59.092 28.866 622 HD21 LEU 76 HD21 LEU 76 38.279 58.614 31.978 623 HD22 LEU 76 HD22 LEU 76 37.410 59.781 30.980 624 HD23 LEU 76 HD23 LEU 76 36.545 58.370 31.616 625 H LEU 77 H LEU 77 40.908 55.820 29.835 626 HA LEU 77 HA LEU 77 41.902 57.839 27.924 627 HB2 LEU 77 HB2 LEU 77 43.157 56.705 30.469 628 HB3 LEU 77 HB3 LEU 77 43.832 57.887 29.402 629 HG LEU 77 HG LEU 77 43.203 59.049 31.228 630 HD11 LEU 77 HD11 LEU 77 40.802 59.478 29.368 631 HD12 LEU 77 HD12 LEU 77 41.102 60.428 30.823 632 HD13 LEU 77 HD13 LEU 77 42.249 60.485 29.498 633 HD21 LEU 77 HD21 LEU 77 41.778 57.202 32.233 634 HD22 LEU 77 HD22 LEU 77 41.410 58.869 32.649 635 HD23 LEU 77 HD23 LEU 77 40.385 58.066 31.459 636 H ASN 78 H ASN 78 43.659 55.179 29.463 637 HA ASN 78 HA ASN 78 45.363 53.928 28.583 638 HB2 ASN 78 HB2 ASN 78 43.742 52.419 28.971 639 HB3 ASN 78 HB3 ASN 78 42.664 52.939 27.669 640 HD21 ASN 78 HD22 ASN 78 46.052 51.662 27.897 641 HD22 ASN 78 HD21 ASN 78 45.707 50.417 26.695 642 H GLY 79 H GLY 79 46.415 55.820 27.390 643 HA2 GLY 79 HA2 GLY 79 47.859 55.582 25.386 644 HA3 GLY 79 HA3 GLY 79 46.424 55.299 24.403 645 H ILE 80 H ILE 80 46.857 57.683 26.928 646 HA ILE 80 HA ILE 80 46.786 59.942 25.003 647 HB ILE 80 HB ILE 80 44.985 61.051 26.113 648 HG12 ILE 80 HG12 ILE 80 43.813 59.324 27.916 649 HG13 ILE 80 HG13 ILE 80 45.579 59.198 28.288 650 HG21 ILE 80 HG21 ILE 80 44.131 58.164 25.768 651 HG22 ILE 80 HG22 ILE 80 43.160 59.640 25.535 652 HG23 ILE 80 HG23 ILE 80 44.498 59.272 24.429 653 HD11 ILE 80 HD11 ILE 80 43.896 61.706 28.141 654 HD12 ILE 80 HD12 ILE 80 44.414 60.922 29.640 655 HD13 ILE 80 HD13 ILE 80 45.640 61.644 28.578 656 H LYS 81 H LYS 81 47.685 61.739 25.571 657 HA LYS 81 HA LYS 81 48.604 62.490 28.207 658 HB2 LYS 81 HB2 LYS 81 51.095 62.557 27.412 659 HB3 LYS 81 HB3 LYS 81 50.387 61.075 28.004 660 HG2 LYS 81 HG2 LYS 81 51.663 60.493 26.070 661 HG3 LYS 81 HG3 LYS 81 49.974 60.360 25.629 662 HD2 LYS 81 HD2 LYS 81 50.210 62.661 24.466 663 HD3 LYS 81 HD3 LYS 81 51.881 62.665 25.047 664 HE2 LYS 81 HE2 LYS 81 52.208 60.489 23.735 665 HE3 LYS 81 HE3 LYS 81 50.556 60.589 23.205 666 HZ1 LYS 81 HZ1 LYS 81 52.366 61.507 21.684 667 HZ2 LYS 81 HZ2 LYS 81 51.020 62.295 21.757 668 HZ3 LYS 81 HZ3 LYS 81 52.317 62.876 22.549 669 H LEU 82 H LEU 82 49.842 64.503 28.159 670 HA LEU 82 HA LEU 82 49.908 66.108 25.636 671 HB2 LEU 82 HB2 LEU 82 48.249 67.025 27.185 672 HB3 LEU 82 HB3 LEU 82 49.381 66.913 28.519 673 HG LEU 82 HG LEU 82 50.808 68.671 27.198 674 HD11 LEU 82 HD11 LEU 82 48.083 69.123 25.886 675 HD12 LEU 82 HD12 LEU 82 49.555 70.032 25.575 676 HD13 LEU 82 HD13 LEU 82 49.467 68.333 25.084 677 HD21 LEU 82 HD21 LEU 82 48.103 69.252 28.445 678 HD22 LEU 82 HD22 LEU 82 49.672 69.113 29.265 679 HD23 LEU 82 HD23 LEU 82 49.364 70.476 28.165 680 H TYR 83 H TYR 83 51.636 65.044 28.535 681 HA TYR 83 HA TYR 83 53.916 66.790 28.227 682 HB2 TYR 83 HB2 TYR 83 53.163 64.473 30.038 683 HB3 TYR 83 HB3 TYR 83 54.758 65.126 30.074 684 HD1 TYR 83 HD1 TYR 83 51.688 67.222 29.684 685 HD2 TYR 83 HD2 TYR 83 54.720 65.829 32.421 686 HE1 TYR 83 HE1 TYR 83 50.889 68.834 31.393 687 HE2 TYR 83 HE2 TYR 83 53.814 67.367 34.169 688 HH TYR 83 HH TYR 83 51.270 69.646 33.565 689 H GLY 84 H GLY 84 53.173 63.602 27.089 690 HA2 GLY 84 HA2 GLY 84 55.091 63.267 25.123 691 HA3 GLY 84 HA3 GLY 84 56.005 62.896 26.562 692 H ARG 85 H ARG 85 54.619 61.309 28.080 693 HA ARG 85 HA ARG 85 54.412 58.760 26.490 694 HB2 ARG 85 HB2 ARG 85 55.208 59.179 29.385 695 HB3 ARG 85 HB3 ARG 85 54.885 57.649 28.557 696 HG2 ARG 85 HG2 ARG 85 57.149 57.782 28.499 697 HG3 ARG 85 HG3 ARG 85 56.643 58.255 26.869 698 HD2 ARG 85 HD2 ARG 85 57.069 60.620 27.449 699 HD3 ARG 85 HD3 ARG 85 57.576 60.129 29.074 700 HE ARG 85 HE ARG 85 59.049 58.496 27.307 701 HH11 ARG 85 HH11 ARG 85 59.023 61.918 28.138 702 HH12 ARG 85 HH12 ARG 85 60.516 62.180 27.268 703 HH21 ARG 85 HH21 ARG 85 60.782 58.970 26.151 704 HH22 ARG 85 HH22 ARG 85 61.554 60.542 26.217 705 HA PRO 86 HA PRO 86 50.157 59.009 27.567 706 HB2 PRO 86 HB2 PRO 86 49.348 56.564 26.612 707 HB3 PRO 86 HB3 PRO 86 49.703 58.009 25.574 708 HG2 PRO 86 HG2 PRO 86 51.530 55.658 26.221 709 HG3 PRO 86 HG3 PRO 86 51.209 56.438 24.618 710 HD2 PRO 86 HD2 PRO 86 53.375 57.027 26.133 711 HD3 PRO 86 HD3 PRO 86 52.490 58.300 25.206 712 H ILE 87 H ILE 87 48.942 58.538 29.317 713 HA ILE 87 HA ILE 87 49.918 56.842 31.396 714 HB ILE 87 HB ILE 87 47.413 58.391 30.753 715 HG12 ILE 87 HG12 ILE 87 49.001 59.758 31.725 716 HG13 ILE 87 HG13 ILE 87 47.871 59.415 33.028 717 HG21 ILE 87 HG21 ILE 87 47.377 56.170 32.717 718 HG22 ILE 87 HG22 ILE 87 46.450 57.670 33.033 719 HG23 ILE 87 HG23 ILE 87 46.180 56.781 31.539 720 HD11 ILE 87 HD11 ILE 87 50.670 58.356 32.640 721 HD12 ILE 87 HD12 ILE 87 50.014 59.337 33.964 722 HD13 ILE 87 HD13 ILE 87 49.542 57.621 33.810 723 H LYS 88 H LYS 88 49.849 54.741 31.714 724 HA LYS 88 HA LYS 88 47.778 53.049 30.385 725 HB2 LYS 88 HB2 LYS 88 50.089 52.622 29.567 726 HB3 LYS 88 HB3 LYS 88 50.611 52.342 31.256 727 HG2 LYS 88 HG2 LYS 88 50.451 50.389 29.882 728 HG3 LYS 88 HG3 LYS 88 49.539 50.316 31.404 729 HD2 LYS 88 HD2 LYS 88 47.458 50.842 30.084 730 HD3 LYS 88 HD3 LYS 88 48.409 50.837 28.607 731 HE2 LYS 88 HE2 LYS 88 48.107 48.423 30.471 732 HE3 LYS 88 HE3 LYS 88 47.218 48.679 28.961 733 HZ1 LYS 88 HZ1 LYS 88 48.927 47.338 28.400 734 HZ2 LYS 88 HZ2 LYS 88 49.530 48.754 27.914 735 HZ3 LYS 88 HZ3 LYS 88 50.049 48.022 29.300 736 H ILE 89 H ILE 89 46.278 52.589 31.875 737 HA ILE 89 HA ILE 89 46.844 52.463 34.745 738 HB ILE 89 HB ILE 89 44.264 51.952 33.191 739 HG12 ILE 89 HG12 ILE 89 43.543 54.189 34.161 740 HG13 ILE 89 HG13 ILE 89 45.234 54.538 34.449 741 HG21 ILE 89 HG21 ILE 89 44.763 52.565 36.138 742 HG22 ILE 89 HG22 ILE 89 43.159 52.357 35.393 743 HG23 ILE 89 HG23 ILE 89 44.263 50.995 35.508 744 HD11 ILE 89 HD11 ILE 89 44.016 53.958 31.675 745 HD12 ILE 89 HD12 ILE 89 44.233 55.570 32.358 746 HD13 ILE 89 HD13 ILE 89 45.644 54.577 31.984 747 H GLN 90 H GLN 90 46.860 50.417 35.938 748 HA GLN 90 HA GLN 90 46.805 47.888 34.351 749 HB2 GLN 90 HB2 GLN 90 48.952 49.105 36.111 750 HB3 GLN 90 HB3 GLN 90 48.979 47.403 35.640 751 HG2 GLN 90 HG2 GLN 90 49.212 47.903 33.326 752 HG3 GLN 90 HG3 GLN 90 48.721 49.566 33.510 753 HE21 GLN 90 HE22 GLN 90 51.184 48.751 32.182 754 HE22 GLN 90 HE21 GLN 90 52.458 49.538 33.094 755 H PHE 91 H PHE 91 46.492 45.971 35.559 756 HA PHE 91 HA PHE 91 44.996 44.753 36.671 757 HB2 PHE 91 HB2 PHE 91 46.202 45.363 38.717 758 HB3 PHE 91 HB3 PHE 91 45.132 46.709 38.959 759 HD1 PHE 91 HD2 PHE 91 45.069 42.945 38.450 760 HD2 PHE 91 HD1 PHE 91 43.092 46.366 40.196 761 HE1 PHE 91 HE2 PHE 91 43.630 41.444 39.791 762 HE2 PHE 91 HE1 PHE 91 41.712 44.840 41.582 763 HZ PHE 91 HZ PHE 91 42.034 42.382 41.429 764 H ARG 92 H ARG 92 42.990 44.443 36.233 765 HA ARG 92 HA ARG 92 41.175 46.752 35.665 766 HB2 ARG 92 HB2 ARG 92 41.859 45.180 33.787 767 HB3 ARG 92 HB3 ARG 92 40.954 43.906 34.609 768 HG2 ARG 92 HG2 ARG 92 38.911 45.429 34.470 769 HG3 ARG 92 HG3 ARG 92 39.939 46.569 33.576 770 HD2 ARG 92 HD2 ARG 92 38.766 45.249 31.897 771 HD3 ARG 92 HD3 ARG 92 40.457 44.700 31.955 772 HE ARG 92 HE ARG 92 39.207 43.004 33.729 773 HH11 ARG 92 HH11 ARG 92 37.754 43.645 30.566 774 HH12 ARG 92 HH12 ARG 92 37.948 41.959 30.116 775 HH21 ARG 92 HH21 ARG 92 39.497 40.912 32.826 776 HH22 ARG 92 HH22 ARG 92 38.631 40.578 31.339 777 H SER 93 H SER 93 40.947 43.347 36.752 778 HA SER 93 HA SER 93 39.502 44.057 39.108 779 HB2 SER 93 HB2 SER 93 37.788 44.174 37.131 780 HB3 SER 93 HB3 SER 93 37.933 42.394 37.055 781 HG SER 93 HG SER 93 37.014 43.992 39.097 782 H GLY 94 H GLY 94 39.037 42.087 40.328 783 HA2 GLY 94 HA2 GLY 94 41.066 40.103 40.064 784 HA3 GLY 94 HA3 GLY 94 39.779 40.179 41.299 785 H SER 95 H SER 95 40.916 38.569 38.561 786 HA SER 95 HA SER 95 38.520 36.821 38.496 787 HB2 SER 95 HB2 SER 95 40.350 37.579 36.182 788 HB3 SER 95 HB3 SER 95 39.178 36.235 36.155 789 HG SER 95 HG SER 95 37.561 37.701 36.418 790 H SER 96 H SER 96 39.002 34.643 37.989 791 HA SER 96 HA SER 96 40.795 33.554 39.855 792 HB2 SER 96 HB2 SER 96 39.432 32.149 37.540 793 HB3 SER 96 HB3 SER 96 39.877 31.411 39.096 794 HG SER 96 HG SER 96 37.664 32.448 38.470 795 H HIS 97 H HIS 97 42.560 32.057 39.571 796 HA HIS 97 HA HIS 97 43.784 31.221 37.176 797 HB2 HIS 97 HB2 HIS 97 44.569 33.597 36.994 798 HB3 HIS 97 HB3 HIS 97 45.234 33.478 38.632 799 HD2 HIS 97 HD2 HIS 97 45.796 31.420 35.321 800 HE1 HIS 97 HE1 HIS 97 49.540 31.888 37.267 801 HE2 HIS 97 HE2 HIS 97 48.366 30.894 35.276 802 H ALA 98 H ALA 98 44.954 29.502 37.623 803 HA ALA 98 HA ALA 98 46.282 27.973 38.580 804 HB1 ALA 98 HB1 ALA 98 47.748 28.405 40.372 805 HB2 ALA 98 HB2 ALA 98 47.565 29.958 39.547 806 HB3 ALA 98 HB3 ALA 98 46.700 29.652 41.056 807 HA PRO 99 HA PRO 99 43.781 25.461 41.240 808 HB2 PRO 99 HB2 PRO 99 46.377 24.700 42.587 809 HB3 PRO 99 HB3 PRO 99 44.996 23.653 42.099 810 HG2 PRO 99 HG2 PRO 99 47.200 23.770 40.506 811 HG3 PRO 99 HG3 PRO 99 45.580 23.898 39.779 812 HD2 PRO 99 HD2 PRO 99 47.482 26.191 40.484 813 HD3 PRO 99 HD3 PRO 99 46.548 25.907 38.999 814 H GLN 100 H GLN 100 43.102 25.092 43.532 815 HA GLN 100 HA GLN 100 44.435 26.659 45.599 816 HB2 GLN 100 HB2 GLN 100 42.450 27.573 46.621 817 HB3 GLN 100 HB3 GLN 100 42.685 28.274 45.057 818 HG2 GLN 100 HG2 GLN 100 40.922 26.511 44.197 819 HG3 GLN 100 HG3 GLN 100 40.529 26.339 45.921 820 HE21 GLN 100 HE22 GLN 100 40.389 28.712 47.017 821 HE22 GLN 100 HE21 GLN 100 39.211 29.677 46.147 822 H ASP 101 H ASP 101 41.828 24.350 44.814 823 HA ASP 101 HA ASP 101 42.842 22.470 46.882 824 HB2 ASP 101 HB2 ASP 101 41.102 23.810 47.924 825 HB3 ASP 101 HB3 ASP 101 40.007 23.498 46.580 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 55.887 46.130 32.441 2 H2 GLY 1 H2 GLY 1 54.358 45.951 31.873 3 H3 GLY 1 H3 GLY 1 55.471 46.780 30.985 4 HA2 GLY 1 HA2 GLY 1 55.071 44.547 30.111 5 HA3 GLY 1 HA3 GLY 1 56.746 44.799 30.607 6 H SER 2 H SER 2 57.321 42.832 31.454 7 HA SER 2 HA SER 2 55.651 41.213 33.127 8 HB2 SER 2 HB2 SER 2 58.587 40.868 32.376 9 HB3 SER 2 HB3 SER 2 57.466 39.605 32.896 10 HG SER 2 HG SER 2 57.322 39.607 30.773 11 H GLU 3 H GLU 3 58.672 43.007 33.697 12 HA GLU 3 HA GLU 3 59.849 43.733 35.363 13 HB2 GLU 3 HB2 GLU 3 57.200 43.828 36.872 14 HB3 GLU 3 HB3 GLU 3 58.713 44.405 37.524 15 HG2 GLU 3 HG2 GLU 3 57.870 46.327 36.547 16 HG3 GLU 3 HG3 GLU 3 59.084 45.737 35.428 17 H PHE 4 H PHE 4 60.565 43.474 37.814 18 HA PHE 4 HA PHE 4 60.991 40.547 38.207 19 HB2 PHE 4 HB2 PHE 4 63.112 41.768 37.530 20 HB3 PHE 4 HB3 PHE 4 62.954 42.772 38.939 21 HD1 PHE 4 HD2 PHE 4 62.659 39.053 38.260 22 HD2 PHE 4 HD1 PHE 4 64.476 42.124 40.702 23 HE1 PHE 4 HE2 PHE 4 63.653 37.330 39.695 24 HE2 PHE 4 HE1 PHE 4 65.659 40.384 41.975 25 HZ PHE 4 HZ PHE 4 65.270 37.971 41.480 26 H GLU 5 H GLU 5 60.700 43.664 39.838 27 HA GLU 5 HA GLU 5 60.559 42.476 42.512 28 HB2 GLU 5 HB2 GLU 5 60.715 45.346 41.557 29 HB3 GLU 5 HB3 GLU 5 60.863 44.788 43.230 30 HG2 GLU 5 HG2 GLU 5 62.877 43.549 42.752 31 HG3 GLU 5 HG3 GLU 5 62.772 43.784 41.039 32 H LEU 6 H LEU 6 58.346 41.866 40.891 33 HA LEU 6 HA LEU 6 56.044 43.251 42.145 34 HB2 LEU 6 HB2 LEU 6 56.438 41.242 39.902 35 HB3 LEU 6 HB3 LEU 6 54.850 41.537 40.601 36 HG LEU 6 HG LEU 6 56.667 43.391 39.040 37 HD11 LEU 6 HD11 LEU 6 55.245 41.939 37.729 38 HD12 LEU 6 HD12 LEU 6 53.814 42.411 38.688 39 HD13 LEU 6 HD13 LEU 6 54.613 43.582 37.606 40 HD21 LEU 6 HD21 LEU 6 54.109 44.204 40.518 41 HD22 LEU 6 HD22 LEU 6 55.749 44.844 40.795 42 HD23 LEU 6 HD23 LEU 6 54.931 45.175 39.270 43 H ARG 7 H ARG 7 54.406 42.180 43.120 44 HA ARG 7 HA ARG 7 54.985 40.539 45.257 45 HB2 ARG 7 HB2 ARG 7 52.301 40.943 43.861 46 HB3 ARG 7 HB3 ARG 7 52.524 40.117 45.400 47 HG2 ARG 7 HG2 ARG 7 52.159 42.067 46.313 48 HG3 ARG 7 HG3 ARG 7 53.867 42.305 46.037 49 HD2 ARG 7 HD2 ARG 7 52.758 44.333 45.295 50 HD3 ARG 7 HD3 ARG 7 53.358 43.506 43.876 51 HE ARG 7 HE ARG 7 51.157 42.983 43.174 52 HH11 ARG 7 HH11 ARG 7 51.091 44.709 46.253 53 HH12 ARG 7 HH12 ARG 7 49.591 45.497 45.773 54 HH21 ARG 7 HH21 ARG 7 49.009 43.628 42.996 55 HH22 ARG 7 HH22 ARG 7 48.306 44.408 44.392 56 H ARG 8 H ARG 8 54.235 38.482 45.919 57 HA ARG 8 HA ARG 8 54.816 36.218 44.198 58 HB2 ARG 8 HB2 ARG 8 53.672 36.350 47.007 59 HB3 ARG 8 HB3 ARG 8 54.026 34.863 46.145 60 HG2 ARG 8 HG2 ARG 8 56.150 37.003 46.473 61 HG3 ARG 8 HG3 ARG 8 55.835 35.852 47.762 62 HD2 ARG 8 HD2 ARG 8 56.670 34.024 46.568 63 HD3 ARG 8 HD3 ARG 8 56.337 34.754 45.001 64 HE ARG 8 HE ARG 8 58.199 36.309 45.344 65 HH11 ARG 8 HH11 ARG 8 58.261 33.184 47.066 66 HH12 ARG 8 HH12 ARG 8 60.013 33.290 47.197 67 HH21 ARG 8 HH21 ARG 8 60.432 35.994 45.311 68 HH22 ARG 8 HH22 ARG 8 61.154 34.744 46.285 69 H GLN 9 H GLN 9 53.455 34.590 43.515 70 HA GLN 9 HA GLN 9 50.704 35.489 42.732 71 HB2 GLN 9 HB2 GLN 9 52.681 33.647 41.339 72 HB3 GLN 9 HB3 GLN 9 51.010 33.940 40.827 73 HG2 GLN 9 HG2 GLN 9 51.654 36.370 40.446 74 HG3 GLN 9 HG3 GLN 9 53.318 35.934 40.853 75 HE21 GLN 9 HE22 GLN 9 51.044 36.098 38.261 76 HE22 GLN 9 HE21 GLN 9 52.080 35.334 37.070 77 H GLN 10 H GLN 10 52.602 32.884 44.078 78 HA GLN 10 HA GLN 10 50.502 30.989 44.619 79 HB2 GLN 10 HB2 GLN 10 53.147 31.543 46.057 80 HB3 GLN 10 HB3 GLN 10 52.124 30.131 46.318 81 HG2 GLN 10 HG2 GLN 10 52.279 29.594 43.890 82 HG3 GLN 10 HG3 GLN 10 53.460 30.908 43.720 83 HE21 GLN 10 HE22 GLN 10 55.572 30.423 44.045 84 HE22 GLN 10 HE21 GLN 10 56.111 28.912 44.770 85 H ALA 11 H ALA 11 50.253 34.010 45.377 86 HA ALA 11 HA ALA 11 49.791 33.771 48.319 87 HB1 ALA 11 HB1 ALA 11 51.840 34.924 47.497 88 HB2 ALA 11 HB2 ALA 11 50.770 36.050 46.617 89 HB3 ALA 11 HB3 ALA 11 50.747 35.998 48.412 90 H LEU 12 H LEU 12 48.620 35.627 49.287 91 HA LEU 12 HA LEU 12 45.959 35.235 48.547 92 HB2 LEU 12 HB2 LEU 12 46.981 37.265 50.553 93 HB3 LEU 12 HB3 LEU 12 45.423 36.446 50.567 94 HG LEU 12 HG LEU 12 48.142 35.167 50.960 95 HD11 LEU 12 HD11 LEU 12 47.242 34.754 53.242 96 HD12 LEU 12 HD12 LEU 12 47.582 36.456 52.816 97 HD13 LEU 12 HD13 LEU 12 45.903 35.880 52.863 98 HD21 LEU 12 HD21 LEU 12 46.737 33.492 49.916 99 HD22 LEU 12 HD22 LEU 12 46.926 33.121 51.634 100 HD23 LEU 12 HD23 LEU 12 45.404 33.815 51.058 101 H ALA 13 H ALA 13 44.258 36.741 48.316 102 HA ALA 13 HA ALA 13 44.366 38.072 45.899 103 HB1 ALA 13 HB1 ALA 13 42.294 37.282 47.008 104 HB2 ALA 13 HB2 ALA 13 42.420 38.639 48.146 105 HB3 ALA 13 HB3 ALA 13 42.224 38.951 46.397 106 H GLU 14 H GLU 14 44.644 39.517 49.127 107 HA GLU 14 HA GLU 14 44.859 41.639 49.923 108 HB2 GLU 14 HB2 GLU 14 47.278 41.273 48.150 109 HB3 GLU 14 HB3 GLU 14 47.128 42.522 49.398 110 HG2 GLU 14 HG2 GLU 14 46.675 40.817 51.109 111 HG3 GLU 14 HG3 GLU 14 46.956 39.531 49.954 112 H ALA 15 H ALA 15 42.852 41.967 48.047 113 HA ALA 15 HA ALA 15 43.594 44.119 46.197 114 HB1 ALA 15 HB1 ALA 15 40.949 42.720 46.680 115 HB2 ALA 15 HB2 ALA 15 41.260 43.955 45.448 116 HB3 ALA 15 HB3 ALA 15 42.131 42.407 45.379 117 H ASP 16 H ASP 16 42.736 46.234 46.241 118 HA ASP 16 HA ASP 16 41.415 47.143 48.711 119 HB2 ASP 16 HB2 ASP 16 43.043 48.457 49.507 120 HB3 ASP 16 HB3 ASP 16 44.067 47.174 48.847 121 H ARG 17 H ARG 17 41.483 49.786 48.509 122 HA ARG 17 HA ARG 17 39.702 50.358 46.253 123 HB2 ARG 17 HB2 ARG 17 40.618 52.180 48.500 124 HB3 ARG 17 HB3 ARG 17 39.321 52.461 47.343 125 HG2 ARG 17 HG2 ARG 17 37.946 51.573 48.884 126 HG3 ARG 17 HG3 ARG 17 38.508 50.055 48.223 127 HD2 ARG 17 HD2 ARG 17 38.527 49.893 50.582 128 HD3 ARG 17 HD3 ARG 17 40.155 49.753 49.955 129 HE ARG 17 HE ARG 17 39.803 52.487 50.758 130 HH11 ARG 17 HH11 ARG 17 39.808 49.352 52.267 131 HH12 ARG 17 HH12 ARG 17 41.088 49.734 53.394 132 HH21 ARG 17 HH21 ARG 17 41.261 53.044 52.556 133 HH22 ARG 17 HH22 ARG 17 41.866 51.706 53.495 134 H THR 18 H THR 18 42.890 50.117 45.958 135 HA THR 18 HA THR 18 43.204 52.770 44.665 136 HB THR 18 HB THR 18 45.599 51.145 45.584 137 HG1 THR 18 HG1 THR 18 44.504 51.702 47.421 138 HG21 THR 18 HG21 THR 18 45.329 54.158 45.241 139 HG22 THR 18 HG22 THR 18 46.772 53.203 45.546 140 HG23 THR 18 HG23 THR 18 45.967 53.090 43.965 141 H LEU 19 H LEU 19 44.098 52.843 42.690 142 HA LEU 19 HA LEU 19 44.026 50.515 40.842 143 HB2 LEU 19 HB2 LEU 19 42.312 52.343 40.841 144 HB3 LEU 19 HB3 LEU 19 43.627 53.502 40.573 145 HG LEU 19 HG LEU 19 43.971 52.616 38.300 146 HD11 LEU 19 HD11 LEU 19 41.711 50.755 39.091 147 HD12 LEU 19 HD12 LEU 19 41.999 51.230 37.401 148 HD13 LEU 19 HD13 LEU 19 43.276 50.390 38.315 149 HD21 LEU 19 HD21 LEU 19 42.273 53.843 37.409 150 HD22 LEU 19 HD22 LEU 19 41.033 53.288 38.557 151 HD23 LEU 19 HD23 LEU 19 42.261 54.444 39.077 152 H PHE 20 H PHE 20 45.890 49.986 39.852 153 HA PHE 20 HA PHE 20 48.319 51.536 40.299 154 HB2 PHE 20 HB2 PHE 20 48.228 48.954 40.405 155 HB3 PHE 20 HB3 PHE 20 47.950 48.981 38.661 156 HD1 PHE 20 HD1 PHE 20 49.695 49.935 37.120 157 HD2 PHE 20 HD2 PHE 20 50.434 49.292 41.317 158 HE1 PHE 20 HE1 PHE 20 52.089 50.444 36.772 159 HE2 PHE 20 HE2 PHE 20 52.803 49.938 40.987 160 HZ PHE 20 HZ PHE 20 53.652 50.448 38.714 161 H VAL 21 H VAL 21 49.359 52.756 38.757 162 HA VAL 21 HA VAL 21 48.317 52.832 35.963 163 HB VAL 21 HB VAL 21 49.035 55.224 37.682 164 HG11 VAL 21 HG11 VAL 21 47.816 55.057 34.893 165 HG12 VAL 21 HG12 VAL 21 48.132 56.545 35.823 166 HG13 VAL 21 HG13 VAL 21 49.487 55.553 35.269 167 HG21 VAL 21 HG21 VAL 21 46.766 54.339 38.354 168 HG22 VAL 21 HG22 VAL 21 46.789 55.961 37.649 169 HG23 VAL 21 HG23 VAL 21 46.221 54.586 36.683 170 H GLY 22 H GLY 22 49.991 53.114 34.450 171 HA2 GLY 22 HA2 GLY 22 52.699 53.794 35.407 172 HA3 GLY 22 HA3 GLY 22 52.503 52.237 34.640 173 H ASN 23 H ASN 23 54.156 53.494 33.489 174 HA ASN 23 HA ASN 23 54.945 54.205 31.494 175 HB2 ASN 23 HB2 ASN 23 52.772 53.012 30.687 176 HB3 ASN 23 HB3 ASN 23 52.137 54.650 30.478 177 HD21 ASN 23 HD21 ASN 23 52.049 54.616 28.211 178 HD22 ASN 23 HD22 ASN 23 53.526 54.520 27.245 179 H LEU 24 H LEU 24 54.342 55.927 33.769 180 HA LEU 24 HA LEU 24 53.111 58.409 32.965 181 HB2 LEU 24 HB2 LEU 24 55.032 57.798 35.248 182 HB3 LEU 24 HB3 LEU 24 54.214 59.305 34.999 183 HG LEU 24 HG LEU 24 53.384 57.524 36.819 184 HD11 LEU 24 HD11 LEU 24 51.676 59.204 35.027 185 HD12 LEU 24 HD12 LEU 24 50.898 58.170 36.259 186 HD13 LEU 24 HD13 LEU 24 52.037 59.399 36.782 187 HD21 LEU 24 HD21 LEU 24 53.158 55.743 35.133 188 HD22 LEU 24 HD22 LEU 24 51.700 56.021 36.121 189 HD23 LEU 24 HD23 LEU 24 51.758 56.632 34.448 190 H GLU 25 H GLU 25 54.129 60.347 32.397 191 HA GLU 25 HA GLU 25 56.718 60.164 31.292 192 HB2 GLU 25 HB2 GLU 25 54.670 62.122 31.369 193 HB3 GLU 25 HB3 GLU 25 56.076 62.958 32.006 194 HG2 GLU 25 HG2 GLU 25 56.450 61.386 29.468 195 HG3 GLU 25 HG3 GLU 25 55.431 62.813 29.428 196 H THR 26 H THR 26 58.594 61.658 31.770 197 HA THR 26 HA THR 26 59.726 61.035 34.332 198 HB THR 26 HB THR 26 61.709 62.168 33.521 199 HG1 THR 26 HG1 THR 26 60.061 63.282 31.553 200 HG21 THR 26 HG21 THR 26 60.285 60.882 31.134 201 HG22 THR 26 HG22 THR 26 61.996 61.305 31.179 202 HG23 THR 26 HG23 THR 26 61.374 60.098 32.306 203 H LYS 27 H LYS 27 57.886 63.716 33.148 204 HA LYS 27 HA LYS 27 58.258 65.157 35.744 205 HB2 LYS 27 HB2 LYS 27 57.470 66.423 33.105 206 HB3 LYS 27 HB3 LYS 27 57.536 67.222 34.669 207 HG2 LYS 27 HG2 LYS 27 60.031 65.862 33.640 208 HG3 LYS 27 HG3 LYS 27 59.518 67.422 32.995 209 HD2 LYS 27 HD2 LYS 27 59.992 66.912 35.965 210 HD3 LYS 27 HD3 LYS 27 61.171 67.521 34.803 211 HE2 LYS 27 HE2 LYS 27 59.246 69.321 34.266 212 HE3 LYS 27 HE3 LYS 27 58.599 68.803 35.798 213 HZ1 LYS 27 HZ1 LYS 27 60.821 69.291 36.759 214 HZ2 LYS 27 HZ2 LYS 27 61.273 69.972 35.329 215 HZ3 LYS 27 HZ3 LYS 27 60.040 70.581 36.233 216 H VAL 28 H VAL 28 56.233 62.866 35.061 217 HA VAL 28 HA VAL 28 53.714 64.168 35.261 218 HB VAL 28 HB VAL 28 54.054 61.727 34.752 219 HG11 VAL 28 HG11 VAL 28 53.975 60.273 36.998 220 HG12 VAL 28 HG12 VAL 28 55.523 60.888 36.387 221 HG13 VAL 28 HG13 VAL 28 54.720 61.684 37.729 222 HG21 VAL 28 HG21 VAL 28 51.909 62.991 35.408 223 HG22 VAL 28 HG22 VAL 28 51.900 61.245 35.353 224 HG23 VAL 28 HG23 VAL 28 52.023 62.079 36.933 225 H THR 29 H THR 29 52.288 64.272 37.109 226 HA THR 29 HA THR 29 53.231 64.461 39.843 227 HB THR 29 HB THR 29 52.188 66.755 40.134 228 HG1 THR 29 HG1 THR 29 52.800 67.365 37.585 229 HG21 THR 29 HG21 THR 29 54.740 66.769 38.482 230 HG22 THR 29 HG22 THR 29 54.110 68.074 39.532 231 HG23 THR 29 HG23 THR 29 54.637 66.540 40.244 232 H GLU 30 H GLU 30 51.438 64.744 41.230 233 HA GLU 30 HA GLU 30 49.047 63.382 40.653 234 HB2 GLU 30 HB2 GLU 30 49.659 65.439 42.809 235 HB3 GLU 30 HB3 GLU 30 48.378 64.219 42.897 236 HG2 GLU 30 HG2 GLU 30 50.262 62.449 42.748 237 HG3 GLU 30 HG3 GLU 30 51.390 63.774 42.801 238 H GLU 31 H GLU 31 49.815 66.828 40.279 239 HA GLU 31 HA GLU 31 47.088 67.802 39.972 240 HB2 GLU 31 HB2 GLU 31 49.758 68.838 38.983 241 HB3 GLU 31 HB3 GLU 31 48.270 69.801 39.116 242 HG2 GLU 31 HG2 GLU 31 48.301 69.668 41.510 243 HG3 GLU 31 HG3 GLU 31 49.751 68.650 41.505 244 H LEU 32 H LEU 32 49.572 66.552 37.733 245 HA LEU 32 HA LEU 32 47.903 67.026 35.391 246 HB2 LEU 32 HB2 LEU 32 50.303 67.071 35.112 247 HB3 LEU 32 HB3 LEU 32 50.550 65.636 36.067 248 HG LEU 32 HG LEU 32 49.680 64.233 34.201 249 HD11 LEU 32 HD11 LEU 32 48.222 66.184 33.306 250 HD12 LEU 32 HD12 LEU 32 49.709 66.930 32.740 251 HD13 LEU 32 HD13 LEU 32 49.188 65.368 32.042 252 HD21 LEU 32 HD21 LEU 32 51.729 64.618 32.865 253 HD22 LEU 32 HD22 LEU 32 51.727 66.328 33.357 254 HD23 LEU 32 HD23 LEU 32 52.103 65.105 34.552 255 H LEU 33 H LEU 33 48.485 64.308 37.494 256 HA LEU 33 HA LEU 33 46.893 62.411 36.016 257 HB2 LEU 33 HB2 LEU 33 47.730 62.684 38.892 258 HB3 LEU 33 HB3 LEU 33 46.903 61.235 38.247 259 HG LEU 33 HG LEU 33 49.640 62.251 37.371 260 HD11 LEU 33 HD11 LEU 33 48.901 59.894 39.142 261 HD12 LEU 33 HD12 LEU 33 50.515 60.186 38.470 262 HD13 LEU 33 HD13 LEU 33 49.840 61.329 39.645 263 HD21 LEU 33 HD21 LEU 33 49.870 60.534 35.953 264 HD22 LEU 33 HD22 LEU 33 48.777 59.450 36.835 265 HD23 LEU 33 HD23 LEU 33 48.116 60.723 35.786 266 H PHE 34 H PHE 34 45.916 64.571 38.791 267 HA PHE 34 HA PHE 34 43.264 63.548 39.010 268 HB2 PHE 34 HB2 PHE 34 44.689 65.008 40.567 269 HB3 PHE 34 HB3 PHE 34 44.265 66.361 39.537 270 HD1 PHE 34 HD2 PHE 34 42.995 63.751 41.891 271 HD2 PHE 34 HD1 PHE 34 42.117 67.456 39.877 272 HE1 PHE 34 HE2 PHE 34 40.868 63.948 43.168 273 HE2 PHE 34 HE1 PHE 34 40.029 67.674 41.205 274 HZ PHE 34 HZ PHE 34 39.429 65.934 42.876 275 H GLU 35 H GLU 35 44.487 66.231 36.895 276 HA GLU 35 HA GLU 35 41.832 66.735 35.841 277 HB2 GLU 35 HB2 GLU 35 42.763 68.385 34.640 278 HB3 GLU 35 HB3 GLU 35 43.858 68.301 36.009 279 HG2 GLU 35 HG2 GLU 35 45.528 67.106 34.593 280 HG3 GLU 35 HG3 GLU 35 44.397 67.240 33.242 281 H LEU 36 H LEU 36 44.348 64.417 35.065 282 HA LEU 36 HA LEU 36 43.137 63.629 32.528 283 HB2 LEU 36 HB2 LEU 36 45.554 63.372 32.843 284 HB3 LEU 36 HB3 LEU 36 45.322 62.432 34.296 285 HG LEU 36 HG LEU 36 44.022 61.297 31.847 286 HD11 LEU 36 HD11 LEU 36 47.018 61.540 32.165 287 HD12 LEU 36 HD12 LEU 36 46.194 60.264 31.179 288 HD13 LEU 36 HD13 LEU 36 46.038 61.969 30.747 289 HD21 LEU 36 HD21 LEU 36 44.094 60.158 34.053 290 HD22 LEU 36 HD22 LEU 36 44.999 59.227 32.830 291 HD23 LEU 36 HD23 LEU 36 45.855 60.193 34.050 292 H PHE 37 H PHE 37 42.982 62.472 35.906 293 HA PHE 37 HA PHE 37 40.991 60.477 35.126 294 HB2 PHE 37 HB2 PHE 37 42.268 61.024 37.825 295 HB3 PHE 37 HB3 PHE 37 41.221 59.662 37.422 296 HD1 PHE 37 HD2 PHE 37 41.933 58.340 35.240 297 HD2 PHE 37 HD1 PHE 37 44.553 60.407 37.932 298 HE1 PHE 37 HE2 PHE 37 43.827 56.838 34.551 299 HE2 PHE 37 HE1 PHE 37 46.457 58.972 37.203 300 HZ PHE 37 HZ PHE 37 46.076 57.164 35.542 301 H HIS 38 H HIS 38 40.354 63.550 35.216 302 HA HIS 38 HA HIS 38 38.665 63.915 37.475 303 HB2 HIS 38 HB2 HIS 38 39.696 65.752 36.047 304 HB3 HIS 38 HB3 HIS 38 38.495 65.372 34.820 305 HD2 HIS 38 HD2 HIS 38 36.445 66.740 34.845 306 HE1 HIS 38 HE1 HIS 38 36.301 67.980 38.911 307 HE2 HIS 38 HE2 HIS 38 35.246 68.272 36.639 308 H GLN 39 H GLN 39 37.867 62.562 34.311 309 HA GLN 39 HA GLN 39 34.970 62.233 35.028 310 HB2 GLN 39 HB2 GLN 39 36.357 61.729 32.383 311 HB3 GLN 39 HB3 GLN 39 34.629 61.680 32.742 312 HG2 GLN 39 HG2 GLN 39 34.693 64.097 33.334 313 HG3 GLN 39 HG3 GLN 39 36.352 64.190 32.749 314 HE21 GLN 39 HE22 GLN 39 34.384 65.805 31.562 315 HE22 GLN 39 HE21 GLN 39 33.856 65.126 30.023 316 H ALA 40 H ALA 40 37.713 60.505 35.645 317 HA ALA 40 HA ALA 40 36.677 58.015 34.538 318 HB1 ALA 40 HB1 ALA 40 39.297 58.527 35.976 319 HB2 ALA 40 HB2 ALA 40 38.756 57.003 35.237 320 HB3 ALA 40 HB3 ALA 40 38.998 58.442 34.218 321 H GLY 41 H GLY 41 35.035 59.132 36.546 322 HA2 GLY 41 HA2 GLY 41 33.633 58.035 38.127 323 HA3 GLY 41 HA3 GLY 41 34.928 56.899 38.499 324 HA PRO 42 HA PRO 42 34.816 60.284 41.738 325 HB2 PRO 42 HB2 PRO 42 34.367 58.007 43.615 326 HB3 PRO 42 HB3 PRO 42 33.547 59.603 43.509 327 HG2 PRO 42 HG2 PRO 42 32.248 57.377 42.716 328 HG3 PRO 42 HG3 PRO 42 32.105 58.929 41.849 329 HD2 PRO 42 HD2 PRO 42 33.925 56.600 41.116 330 HD3 PRO 42 HD3 PRO 42 32.796 57.522 40.077 331 H VAL 43 H VAL 43 36.962 60.772 41.606 332 HA VAL 43 HA VAL 43 39.027 58.860 42.538 333 HB VAL 43 HB VAL 43 39.200 61.502 41.086 334 HG11 VAL 43 HG11 VAL 43 41.363 59.857 42.473 335 HG12 VAL 43 HG12 VAL 43 41.711 60.918 41.085 336 HG13 VAL 43 HG13 VAL 43 41.091 61.601 42.594 337 HG21 VAL 43 HG21 VAL 43 40.312 60.059 39.421 338 HG22 VAL 43 HG22 VAL 43 40.122 58.649 40.503 339 HG23 VAL 43 HG23 VAL 43 38.708 59.415 39.767 340 H ILE 44 H ILE 44 38.907 58.666 44.645 341 HA ILE 44 HA ILE 44 38.545 60.667 46.647 342 HB ILE 44 HB ILE 44 40.060 58.026 46.876 343 HG12 ILE 44 HG12 ILE 44 37.185 58.794 47.362 344 HG13 ILE 44 HG13 ILE 44 37.773 57.728 46.058 345 HG21 ILE 44 HG21 ILE 44 40.294 59.920 48.772 346 HG22 ILE 44 HG22 ILE 44 38.625 59.485 49.140 347 HG23 ILE 44 HG23 ILE 44 39.894 58.271 49.256 348 HD11 ILE 44 HD11 ILE 44 37.918 57.000 49.005 349 HD12 ILE 44 HD12 ILE 44 36.667 56.518 47.849 350 HD13 ILE 44 HD13 ILE 44 38.353 55.999 47.590 351 H LYS 45 H LYS 45 41.645 59.342 45.277 352 HA LYS 45 HA LYS 45 42.887 61.910 45.514 353 HB2 LYS 45 HB2 LYS 45 44.576 61.426 47.141 354 HB3 LYS 45 HB3 LYS 45 43.057 61.084 47.935 355 HG2 LYS 45 HG2 LYS 45 43.881 58.637 46.675 356 HG3 LYS 45 HG3 LYS 45 45.300 59.298 47.467 357 HD2 LYS 45 HD2 LYS 45 42.609 58.495 48.643 358 HD3 LYS 45 HD3 LYS 45 44.171 57.746 48.941 359 HE2 LYS 45 HE2 LYS 45 43.439 60.562 49.837 360 HE3 LYS 45 HE3 LYS 45 43.182 59.100 50.790 361 HZ1 LYS 45 HZ1 LYS 45 45.898 59.660 49.795 362 HZ2 LYS 45 HZ2 LYS 45 45.362 60.285 51.226 363 HZ3 LYS 45 HZ3 LYS 45 45.406 58.711 50.978 364 H VAL 46 H VAL 46 45.159 61.805 44.809 365 HA VAL 46 HA VAL 46 45.820 59.408 43.147 366 HB VAL 46 HB VAL 46 46.462 62.345 42.749 367 HG11 VAL 46 HG11 VAL 46 48.329 61.193 41.849 368 HG12 VAL 46 HG12 VAL 46 47.304 59.923 41.134 369 HG13 VAL 46 HG13 VAL 46 47.251 61.591 40.495 370 HG21 VAL 46 HG21 VAL 46 44.764 60.461 41.025 371 HG22 VAL 46 HG22 VAL 46 44.097 61.667 42.145 372 HG23 VAL 46 HG23 VAL 46 45.042 62.196 40.751 373 H LYS 47 H LYS 47 48.172 58.953 43.044 374 HA LYS 47 HA LYS 47 49.841 60.188 45.137 375 HB2 LYS 47 HB2 LYS 47 49.139 58.261 46.280 376 HB3 LYS 47 HB3 LYS 47 49.060 57.283 44.826 377 HG2 LYS 47 HG2 LYS 47 50.934 56.469 46.089 378 HG3 LYS 47 HG3 LYS 47 51.561 57.251 44.677 379 HD2 LYS 47 HD2 LYS 47 51.892 59.395 46.129 380 HD3 LYS 47 HD3 LYS 47 51.468 58.391 47.509 381 HE2 LYS 47 HE2 LYS 47 53.726 57.657 45.591 382 HE3 LYS 47 HE3 LYS 47 53.977 58.701 46.976 383 HZ1 LYS 47 HZ1 LYS 47 54.336 56.242 47.316 384 HZ2 LYS 47 HZ2 LYS 47 53.311 56.888 48.416 385 HZ3 LYS 47 HZ3 LYS 47 52.743 56.026 47.184 386 H ILE 48 H ILE 48 51.583 60.869 44.374 387 HA ILE 48 HA ILE 48 52.889 59.540 42.086 388 HB ILE 48 HB ILE 48 52.905 62.348 43.119 389 HG12 ILE 48 HG12 ILE 48 51.429 61.394 41.227 390 HG13 ILE 48 HG13 ILE 48 52.400 62.856 40.868 391 HG21 ILE 48 HG21 ILE 48 55.159 61.105 41.566 392 HG22 ILE 48 HG22 ILE 48 54.765 62.850 41.480 393 HG23 ILE 48 HG23 ILE 48 55.237 62.128 43.023 394 HD11 ILE 48 HD11 ILE 48 53.195 60.024 40.068 395 HD12 ILE 48 HD12 ILE 48 52.358 61.196 39.012 396 HD13 ILE 48 HD13 ILE 48 53.991 61.545 39.618 397 HA PRO 49 HA PRO 49 56.137 58.417 45.149 398 HB2 PRO 49 HB2 PRO 49 57.493 56.814 43.412 399 HB3 PRO 49 HB3 PRO 49 56.001 56.260 44.247 400 HG2 PRO 49 HG2 PRO 49 56.314 57.371 41.443 401 HG3 PRO 49 HG3 PRO 49 55.392 55.918 41.937 402 HD2 PRO 49 HD2 PRO 49 54.306 58.333 41.478 403 HD3 PRO 49 HD3 PRO 49 53.608 57.284 42.734 404 H LYS 50 H LYS 50 58.519 58.642 45.016 405 HA LYS 50 HA LYS 50 59.838 60.015 42.878 406 HB2 LYS 50 HB2 LYS 50 58.953 61.671 45.216 407 HB3 LYS 50 HB3 LYS 50 60.573 61.891 44.525 408 HG2 LYS 50 HG2 LYS 50 59.185 61.798 42.214 409 HG3 LYS 50 HG3 LYS 50 57.880 62.342 43.251 410 HD2 LYS 50 HD2 LYS 50 59.398 64.297 43.944 411 HD3 LYS 50 HD3 LYS 50 60.575 63.688 42.772 412 HE2 LYS 50 HE2 LYS 50 59.062 63.957 40.943 413 HE3 LYS 50 HE3 LYS 50 57.668 64.221 42.005 414 HZ1 LYS 50 HZ1 LYS 50 58.379 66.291 41.163 415 HZ2 LYS 50 HZ2 LYS 50 58.775 66.235 42.789 416 HZ3 LYS 50 HZ3 LYS 50 59.899 66.068 41.692 417 H ASP 51 H ASP 51 61.460 58.965 42.814 418 HA ASP 51 HA ASP 51 62.960 57.439 44.662 419 HB2 ASP 51 HB2 ASP 51 63.043 57.473 42.122 420 HB3 ASP 51 HB3 ASP 51 63.881 59.027 42.245 421 H LYS 52 H LYS 52 65.221 57.836 45.224 422 HA LYS 52 HA LYS 52 65.662 60.003 47.027 423 HB2 LYS 52 HB2 LYS 52 68.022 59.293 47.038 424 HB3 LYS 52 HB3 LYS 52 66.940 57.955 47.318 425 HG2 LYS 52 HG2 LYS 52 68.117 56.854 45.726 426 HG3 LYS 52 HG3 LYS 52 67.264 57.879 44.560 427 HD2 LYS 52 HD2 LYS 52 69.125 59.604 44.941 428 HD3 LYS 52 HD3 LYS 52 70.025 58.321 45.783 429 HE2 LYS 52 HE2 LYS 52 70.223 56.999 43.888 430 HE3 LYS 52 HE3 LYS 52 68.867 57.780 43.064 431 HZ1 LYS 52 HZ1 LYS 52 70.286 59.821 42.981 432 HZ2 LYS 52 HZ2 LYS 52 71.496 59.006 43.616 433 HZ3 LYS 52 HZ3 LYS 52 70.956 58.554 42.148 434 H ASP 53 H ASP 53 66.406 59.529 43.630 435 HA ASP 53 HA ASP 53 67.682 62.103 43.219 436 HB2 ASP 53 HB2 ASP 53 68.279 59.847 42.111 437 HB3 ASP 53 HB3 ASP 53 66.842 60.086 41.134 438 H GLY 54 H GLY 54 64.493 61.422 43.604 439 HA2 GLY 54 HA2 GLY 54 62.750 62.800 43.505 440 HA3 GLY 54 HA3 GLY 54 63.633 63.957 42.514 441 H LYS 55 H LYS 55 62.526 60.553 41.921 442 HA LYS 55 HA LYS 55 61.141 61.587 39.499 443 HB2 LYS 55 HB2 LYS 55 63.464 60.661 39.062 444 HB3 LYS 55 HB3 LYS 55 62.752 59.059 39.394 445 HG2 LYS 55 HG2 LYS 55 62.714 59.187 37.126 446 HG3 LYS 55 HG3 LYS 55 61.081 59.535 37.480 447 HD2 LYS 55 HD2 LYS 55 61.594 61.267 35.905 448 HD3 LYS 55 HD3 LYS 55 61.979 62.146 37.391 449 HE2 LYS 55 HE2 LYS 55 64.238 61.402 37.419 450 HE3 LYS 55 HE3 LYS 55 64.011 60.306 36.051 451 HZ1 LYS 55 HZ1 LYS 55 64.027 63.234 35.923 452 HZ2 LYS 55 HZ2 LYS 55 65.239 62.223 35.518 453 HZ3 LYS 55 HZ3 LYS 55 63.907 62.221 34.610 454 HA PRO 56 HA PRO 56 57.991 58.747 40.939 455 HB2 PRO 56 HB2 PRO 56 56.176 59.137 38.888 456 HB3 PRO 56 HB3 PRO 56 56.568 60.386 40.142 457 HG2 PRO 56 HG2 PRO 56 57.641 60.007 37.337 458 HG3 PRO 56 HG3 PRO 56 57.113 61.579 38.090 459 HD2 PRO 56 HD2 PRO 56 59.740 60.909 37.941 460 HD3 PRO 56 HD3 PRO 56 59.039 61.806 39.292 461 H LYS 57 H LYS 57 60.125 57.788 39.120 462 HA LYS 57 HA LYS 57 60.738 55.905 38.030 463 HB2 LYS 57 HB2 LYS 57 58.669 54.627 39.839 464 HB3 LYS 57 HB3 LYS 57 60.091 53.840 39.154 465 HG2 LYS 57 HG2 LYS 57 60.912 54.204 41.240 466 HG3 LYS 57 HG3 LYS 57 61.352 55.770 40.630 467 HD2 LYS 57 HD2 LYS 57 59.360 56.820 41.548 468 HD3 LYS 57 HD3 LYS 57 58.704 55.274 42.094 469 HE2 LYS 57 HE2 LYS 57 61.437 56.314 42.883 470 HE3 LYS 57 HE3 LYS 57 59.978 56.706 43.809 471 HZ1 LYS 57 HZ1 LYS 57 59.793 54.470 44.483 472 HZ2 LYS 57 HZ2 LYS 57 60.621 53.898 43.230 473 HZ3 LYS 57 HZ3 LYS 57 61.419 54.581 44.421 474 H GLN 58 H GLN 58 58.646 57.309 36.673 475 HA GLN 58 HA GLN 58 56.995 57.166 35.057 476 HB2 GLN 58 HB2 GLN 58 58.640 54.770 34.355 477 HB3 GLN 58 HB3 GLN 58 57.271 55.409 33.416 478 HG2 GLN 58 HG2 GLN 58 58.618 57.738 33.748 479 HG3 GLN 58 HG3 GLN 58 59.993 56.693 34.053 480 HE21 GLN 58 HE22 GLN 58 57.541 57.744 31.845 481 HE22 GLN 58 HE21 GLN 58 57.899 56.706 30.553 482 H PHE 59 H PHE 59 56.126 56.282 37.619 483 HA PHE 59 HA PHE 59 53.724 54.743 36.915 484 HB2 PHE 59 HB2 PHE 59 53.999 52.896 37.982 485 HB3 PHE 59 HB3 PHE 59 55.639 53.160 37.448 486 HD1 PHE 59 HD1 PHE 59 53.376 53.411 40.392 487 HD2 PHE 59 HD2 PHE 59 57.433 53.066 39.068 488 HE1 PHE 59 HE1 PHE 59 54.137 53.290 42.772 489 HE2 PHE 59 HE2 PHE 59 58.191 52.845 41.453 490 HZ PHE 59 HZ PHE 59 56.558 53.115 43.289 491 H ALA 60 H ALA 60 51.974 54.964 38.412 492 HA ALA 60 HA ALA 60 52.248 56.534 40.899 493 HB1 ALA 60 HB1 ALA 60 50.666 58.232 40.212 494 HB2 ALA 60 HB2 ALA 60 52.073 58.261 39.131 495 HB3 ALA 60 HB3 ALA 60 50.527 57.517 38.601 496 H PHE 61 H PHE 61 49.921 56.882 41.860 497 HA PHE 61 HA PHE 61 48.099 54.665 41.119 498 HB2 PHE 61 HB2 PHE 61 49.385 55.307 43.794 499 HB3 PHE 61 HB3 PHE 61 47.850 54.480 43.737 500 HD1 PHE 61 HD1 PHE 61 47.663 52.202 42.663 501 HD2 PHE 61 HD2 PHE 61 51.486 54.035 43.523 502 HE1 PHE 61 HE1 PHE 61 48.677 49.968 43.016 503 HE2 PHE 61 HE2 PHE 61 52.463 51.790 43.875 504 HZ PHE 61 HZ PHE 61 51.098 49.774 43.568 505 H VAL 62 H VAL 62 45.966 54.775 42.124 506 HA VAL 62 HA VAL 62 44.930 57.474 42.782 507 HB VAL 62 HB VAL 62 43.702 55.856 40.495 508 HG11 VAL 62 HG11 VAL 62 42.530 58.004 40.039 509 HG12 VAL 62 HG12 VAL 62 42.118 57.342 41.615 510 HG13 VAL 62 HG13 VAL 62 43.254 58.700 41.503 511 HG21 VAL 62 HG21 VAL 62 45.514 58.277 40.277 512 HG22 VAL 62 HG22 VAL 62 45.922 56.626 39.762 513 HG23 VAL 62 HG23 VAL 62 44.622 57.475 38.937 514 H ASN 63 H ASN 63 42.966 57.444 43.840 515 HA ASN 63 HA ASN 63 42.187 54.749 44.817 516 HB2 ASN 63 HB2 ASN 63 43.460 56.319 46.560 517 HB3 ASN 63 HB3 ASN 63 41.956 57.167 46.647 518 HD21 ASN 63 HD22 ASN 63 43.690 54.102 47.284 519 HD22 ASN 63 HD21 ASN 63 42.483 53.505 48.368 520 H PHE 64 H PHE 64 40.228 54.149 44.900 521 HA PHE 64 HA PHE 64 38.164 55.871 43.672 522 HB2 PHE 64 HB2 PHE 64 39.457 54.926 41.811 523 HB3 PHE 64 HB3 PHE 64 39.464 53.342 42.575 524 HD1 PHE 64 HD1 PHE 64 37.312 55.801 40.810 525 HD2 PHE 64 HD2 PHE 64 37.721 51.757 42.245 526 HE1 PHE 64 HE1 PHE 64 35.402 55.078 39.381 527 HE2 PHE 64 HE2 PHE 64 35.693 51.100 40.967 528 HZ PHE 64 HZ PHE 64 34.524 52.781 39.555 529 H LYS 65 H LYS 65 36.068 55.145 43.954 530 HA LYS 65 HA LYS 65 35.500 52.517 45.021 531 HB2 LYS 65 HB2 LYS 65 34.683 54.890 46.774 532 HB3 LYS 65 HB3 LYS 65 34.077 53.244 46.890 533 HG2 LYS 65 HG2 LYS 65 36.480 52.471 47.210 534 HG3 LYS 65 HG3 LYS 65 36.916 54.188 47.281 535 HD2 LYS 65 HD2 LYS 65 36.651 53.407 49.541 536 HD3 LYS 65 HD3 LYS 65 35.299 54.482 49.175 537 HE2 LYS 65 HE2 LYS 65 33.872 52.388 48.734 538 HE3 LYS 65 HE3 LYS 65 35.243 51.454 49.363 539 HZ1 LYS 65 HZ1 LYS 65 33.690 53.558 50.766 540 HZ2 LYS 65 HZ2 LYS 65 33.832 51.944 51.176 541 HZ3 LYS 65 HZ3 LYS 65 35.076 52.934 51.321 542 H HIS 66 H HIS 66 33.781 51.839 44.093 543 HA HIS 66 HA HIS 66 31.419 53.508 43.472 544 HB2 HIS 66 HB2 HIS 66 32.755 53.849 41.536 545 HB3 HIS 66 HB3 HIS 66 33.176 52.119 41.440 546 HD2 HIS 66 HD2 HIS 66 31.653 50.743 39.807 547 HE1 HIS 66 HE1 HIS 66 28.293 53.344 39.626 548 HE2 HIS 66 HE2 HIS 66 29.274 51.176 38.810 549 H GLU 67 H GLU 67 29.608 52.071 42.718 550 HA GLU 67 HA GLU 67 29.156 49.874 44.424 551 HB2 GLU 67 HB2 GLU 67 27.925 50.680 41.784 552 HB3 GLU 67 HB3 GLU 67 27.284 49.380 42.793 553 HG2 GLU 67 HG2 GLU 67 27.153 52.360 43.103 554 HG3 GLU 67 HG3 GLU 67 25.889 51.164 43.158 555 H VAL 68 H VAL 68 30.546 49.673 41.081 556 HA VAL 68 HA VAL 68 31.395 46.916 41.924 557 HB VAL 68 HB VAL 68 31.876 46.415 39.530 558 HG11 VAL 68 HG11 VAL 68 30.003 45.292 40.390 559 HG12 VAL 68 HG12 VAL 68 28.995 46.755 40.401 560 HG13 VAL 68 HG13 VAL 68 29.475 45.986 38.865 561 HG21 VAL 68 HG21 VAL 68 31.978 48.570 38.599 562 HG22 VAL 68 HG22 VAL 68 30.625 47.743 37.813 563 HG23 VAL 68 HG23 VAL 68 30.300 48.955 39.073 564 H SER 69 H SER 69 33.599 46.421 41.748 565 HA SER 69 HA SER 69 35.433 48.694 41.464 566 HB2 SER 69 HB2 SER 69 35.763 45.847 42.464 567 HB3 SER 69 HB3 SER 69 37.135 46.921 42.206 568 HG SER 69 HG SER 69 36.458 47.205 44.236 569 H VAL 70 H VAL 70 35.016 48.914 39.020 570 HA VAL 70 HA VAL 70 36.952 47.188 37.538 571 HB VAL 70 HB VAL 70 35.638 47.341 35.575 572 HG11 VAL 70 HG11 VAL 70 34.933 45.615 37.185 573 HG12 VAL 70 HG12 VAL 70 33.730 46.729 37.873 574 HG13 VAL 70 HG13 VAL 70 33.574 46.173 36.202 575 HG21 VAL 70 HG21 VAL 70 33.844 49.318 37.064 576 HG22 VAL 70 HG22 VAL 70 34.758 49.573 35.571 577 HG23 VAL 70 HG23 VAL 70 33.364 48.489 35.574 578 HA PRO 71 HA PRO 71 39.157 50.799 37.004 579 HB2 PRO 71 HB2 PRO 71 41.036 50.117 35.326 580 HB3 PRO 71 HB3 PRO 71 40.617 49.016 36.665 581 HG2 PRO 71 HG2 PRO 71 39.724 48.770 33.775 582 HG3 PRO 71 HG3 PRO 71 40.362 47.486 34.821 583 HD2 PRO 71 HD2 PRO 71 37.660 48.181 34.427 584 HD3 PRO 71 HD3 PRO 71 38.270 47.144 35.753 585 H TYR 72 H TYR 72 37.451 52.377 36.267 586 HA TYR 72 HA TYR 72 36.428 52.387 33.656 587 HB2 TYR 72 HB2 TYR 72 35.436 53.279 35.715 588 HB3 TYR 72 HB3 TYR 72 36.553 54.619 35.702 589 HD1 TYR 72 HD1 TYR 72 36.441 56.177 33.529 590 HD2 TYR 72 HD2 TYR 72 33.499 53.196 34.502 591 HE1 TYR 72 HE1 TYR 72 34.736 57.441 32.231 592 HE2 TYR 72 HE2 TYR 72 31.865 54.305 32.966 593 HH TYR 72 HH TYR 72 32.431 57.473 31.709 594 H ALA 73 H ALA 73 39.118 54.330 35.010 595 HA ALA 73 HA ALA 73 39.753 55.980 32.803 596 HB1 ALA 73 HB1 ALA 73 41.374 54.873 35.090 597 HB2 ALA 73 HB2 ALA 73 42.106 55.797 33.750 598 HB3 ALA 73 HB3 ALA 73 40.856 56.554 34.718 599 H MET 74 H MET 74 40.328 52.553 33.304 600 HA MET 74 HA MET 74 42.401 52.237 31.298 601 HB2 MET 74 HB2 MET 74 41.585 50.677 33.373 602 HB3 MET 74 HB3 MET 74 40.619 49.954 32.078 603 HG2 MET 74 HG2 MET 74 42.697 49.484 30.820 604 HG3 MET 74 HG3 MET 74 43.644 50.165 32.153 605 HE1 MET 74 HE1 MET 74 43.725 46.034 31.864 606 HE2 MET 74 HE2 MET 74 42.946 47.005 30.597 607 HE3 MET 74 HE3 MET 74 44.527 47.497 31.245 608 H ASN 75 H ASN 75 38.927 52.560 31.101 609 HA ASN 75 HA ASN 75 39.093 51.817 28.208 610 HB2 ASN 75 HB2 ASN 75 37.169 50.840 29.396 611 HB3 ASN 75 HB3 ASN 75 36.699 52.449 29.949 612 HD21 ASN 75 HD22 ASN 75 35.283 53.559 28.599 613 HD22 ASN 75 HD21 ASN 75 34.948 53.110 26.927 614 H LEU 76 H LEU 76 38.476 54.609 30.408 615 HA LEU 76 HA LEU 76 37.718 56.353 28.318 616 HB2 LEU 76 HB2 LEU 76 37.281 56.632 30.784 617 HB3 LEU 76 HB3 LEU 76 38.975 57.032 31.006 618 HG LEU 76 HG LEU 76 38.528 59.034 29.408 619 HD11 LEU 76 HD11 LEU 76 36.191 59.793 29.229 620 HD12 LEU 76 HD12 LEU 76 36.377 58.189 28.503 621 HD13 LEU 76 HD13 LEU 76 35.649 58.360 30.114 622 HD21 LEU 76 HD21 LEU 76 37.834 60.507 31.106 623 HD22 LEU 76 HD22 LEU 76 36.934 59.268 31.981 624 HD23 LEU 76 HD23 LEU 76 38.722 59.253 31.950 625 H LEU 77 H LEU 77 40.993 55.487 29.563 626 HA LEU 77 HA LEU 77 42.172 57.699 27.952 627 HB2 LEU 77 HB2 LEU 77 43.076 56.805 30.692 628 HB3 LEU 77 HB3 LEU 77 43.671 58.182 29.794 629 HG LEU 77 HG LEU 77 40.695 58.143 30.343 630 HD11 LEU 77 HD11 LEU 77 41.706 57.332 32.362 631 HD12 LEU 77 HD12 LEU 77 42.771 58.758 32.432 632 HD13 LEU 77 HD13 LEU 77 40.982 58.939 32.552 633 HD21 LEU 77 HD21 LEU 77 41.923 59.880 28.955 634 HD22 LEU 77 HD22 LEU 77 40.908 60.488 30.257 635 HD23 LEU 77 HD23 LEU 77 42.660 60.455 30.471 636 H ASN 78 H ASN 78 43.865 55.221 29.885 637 HA ASN 78 HA ASN 78 45.822 54.020 29.098 638 HB2 ASN 78 HB2 ASN 78 43.985 52.871 29.986 639 HB3 ASN 78 HB3 ASN 78 43.158 52.769 28.407 640 HD21 ASN 78 HD22 ASN 78 44.782 51.460 26.740 641 HD22 ASN 78 HD21 ASN 78 45.511 50.065 27.547 642 H GLY 79 H GLY 79 46.586 55.676 27.593 643 HA2 GLY 79 HA2 GLY 79 47.953 55.092 25.565 644 HA3 GLY 79 HA3 GLY 79 46.414 54.889 24.705 645 H ILE 80 H ILE 80 46.922 57.436 27.114 646 HA ILE 80 HA ILE 80 46.951 59.498 24.979 647 HB ILE 80 HB ILE 80 45.234 60.759 26.131 648 HG12 ILE 80 HG12 ILE 80 44.084 58.856 27.922 649 HG13 ILE 80 HG13 ILE 80 45.800 59.004 28.323 650 HG21 ILE 80 HG21 ILE 80 44.221 57.941 25.686 651 HG22 ILE 80 HG22 ILE 80 43.229 59.405 25.819 652 HG23 ILE 80 HG23 ILE 80 44.350 59.242 24.452 653 HD11 ILE 80 HD11 ILE 80 43.745 61.243 28.023 654 HD12 ILE 80 HD12 ILE 80 44.600 60.793 29.522 655 HD13 ILE 80 HD13 ILE 80 45.477 61.560 28.174 656 H LYS 81 H LYS 81 47.641 61.546 25.578 657 HA LYS 81 HA LYS 81 48.709 62.189 28.175 658 HB2 LYS 81 HB2 LYS 81 51.125 62.491 27.094 659 HB3 LYS 81 HB3 LYS 81 50.613 61.019 27.889 660 HG2 LYS 81 HG2 LYS 81 51.772 60.357 25.923 661 HG3 LYS 81 HG3 LYS 81 50.075 60.084 25.574 662 HD2 LYS 81 HD2 LYS 81 50.001 62.197 24.262 663 HD3 LYS 81 HD3 LYS 81 51.637 62.600 24.810 664 HE2 LYS 81 HE2 LYS 81 52.417 60.437 23.660 665 HE3 LYS 81 HE3 LYS 81 50.815 60.350 22.929 666 HZ1 LYS 81 HZ1 LYS 81 52.627 62.652 22.544 667 HZ2 LYS 81 HZ2 LYS 81 52.340 61.471 21.445 668 HZ3 LYS 81 HZ3 LYS 81 51.158 62.471 21.930 669 H LEU 82 H LEU 82 49.950 64.097 28.180 670 HA LEU 82 HA LEU 82 49.160 66.265 26.247 671 HB2 LEU 82 HB2 LEU 82 48.306 66.356 28.602 672 HB3 LEU 82 HB3 LEU 82 49.970 66.202 29.169 673 HG LEU 82 HG LEU 82 50.553 68.370 28.183 674 HD11 LEU 82 HD11 LEU 82 47.637 68.315 27.255 675 HD12 LEU 82 HD12 LEU 82 48.577 69.822 27.364 676 HD13 LEU 82 HD13 LEU 82 49.059 68.546 26.248 677 HD21 LEU 82 HD21 LEU 82 49.494 67.879 30.489 678 HD22 LEU 82 HD22 LEU 82 49.544 69.555 29.966 679 HD23 LEU 82 HD23 LEU 82 48.025 68.624 29.827 680 H TYR 83 H TYR 83 51.697 64.722 28.101 681 HA TYR 83 HA TYR 83 53.782 66.580 27.219 682 HB2 TYR 83 HB2 TYR 83 53.772 64.260 29.176 683 HB3 TYR 83 HB3 TYR 83 55.184 65.253 28.770 684 HD1 TYR 83 HD1 TYR 83 52.311 67.415 29.091 685 HD2 TYR 83 HD2 TYR 83 55.257 65.156 31.312 686 HE1 TYR 83 HE1 TYR 83 51.890 68.809 31.108 687 HE2 TYR 83 HE2 TYR 83 54.911 66.668 33.272 688 HH TYR 83 HH TYR 83 52.466 69.099 33.298 689 H GLY 84 H GLY 84 53.587 62.924 27.293 690 HA2 GLY 84 HA2 GLY 84 54.422 62.594 24.599 691 HA3 GLY 84 HA3 GLY 84 55.857 62.591 25.623 692 H ARG 85 H ARG 85 54.618 61.122 27.928 693 HA ARG 85 HA ARG 85 54.636 58.474 26.615 694 HB2 ARG 85 HB2 ARG 85 55.652 59.201 29.356 695 HB3 ARG 85 HB3 ARG 85 55.218 57.576 28.866 696 HG2 ARG 85 HG2 ARG 85 57.405 57.475 28.196 697 HG3 ARG 85 HG3 ARG 85 56.759 58.172 26.720 698 HD2 ARG 85 HD2 ARG 85 57.258 60.480 27.685 699 HD3 ARG 85 HD3 ARG 85 58.045 59.693 29.033 700 HE ARG 85 HE ARG 85 59.048 59.991 26.252 701 HH11 ARG 85 HH11 ARG 85 59.515 58.370 29.340 702 HH12 ARG 85 HH12 ARG 85 61.243 58.297 29.099 703 HH21 ARG 85 HH21 ARG 85 61.041 59.594 25.851 704 HH22 ARG 85 HH22 ARG 85 62.065 58.684 26.946 705 HA PRO 86 HA PRO 86 50.359 58.853 27.363 706 HB2 PRO 86 HB2 PRO 86 49.584 56.355 26.301 707 HB3 PRO 86 HB3 PRO 86 49.939 57.826 25.315 708 HG2 PRO 86 HG2 PRO 86 51.735 55.525 26.015 709 HG3 PRO 86 HG3 PRO 86 51.511 56.338 24.415 710 HD2 PRO 86 HD2 PRO 86 53.620 57.001 25.893 711 HD3 PRO 86 HD3 PRO 86 52.642 58.296 25.158 712 H ILE 87 H ILE 87 49.053 58.529 29.042 713 HA ILE 87 HA ILE 87 49.892 56.913 31.208 714 HB ILE 87 HB ILE 87 47.398 58.465 30.573 715 HG12 ILE 87 HG12 ILE 87 49.199 59.842 31.440 716 HG13 ILE 87 HG13 ILE 87 47.989 59.724 32.691 717 HG21 ILE 87 HG21 ILE 87 47.602 56.420 32.788 718 HG22 ILE 87 HG22 ILE 87 46.601 57.866 32.979 719 HG23 ILE 87 HG23 ILE 87 46.313 56.752 31.623 720 HD11 ILE 87 HD11 ILE 87 49.966 59.574 33.799 721 HD12 ILE 87 HD12 ILE 87 49.316 57.922 33.803 722 HD13 ILE 87 HD13 ILE 87 50.662 58.360 32.708 723 H LYS 88 H LYS 88 49.734 54.904 31.520 724 HA LYS 88 HA LYS 88 47.812 53.095 30.126 725 HB2 LYS 88 HB2 LYS 88 50.158 52.904 29.487 726 HB3 LYS 88 HB3 LYS 88 50.656 52.777 31.178 727 HG2 LYS 88 HG2 LYS 88 50.707 50.689 29.938 728 HG3 LYS 88 HG3 LYS 88 49.662 50.576 31.365 729 HD2 LYS 88 HD2 LYS 88 47.655 50.802 30.048 730 HD3 LYS 88 HD3 LYS 88 48.570 51.237 28.596 731 HE2 LYS 88 HE2 LYS 88 48.934 48.590 30.024 732 HE3 LYS 88 HE3 LYS 88 47.618 48.831 28.866 733 HZ1 LYS 88 HZ1 LYS 88 50.066 49.688 27.733 734 HZ2 LYS 88 HZ2 LYS 88 50.172 48.134 28.171 735 HZ3 LYS 88 HZ3 LYS 88 48.975 48.633 27.179 736 H ILE 89 H ILE 89 46.213 52.538 31.447 737 HA ILE 89 HA ILE 89 46.612 52.470 34.404 738 HB ILE 89 HB ILE 89 44.069 52.252 32.767 739 HG12 ILE 89 HG12 ILE 89 43.759 54.490 34.218 740 HG13 ILE 89 HG13 ILE 89 45.499 54.552 34.149 741 HG21 ILE 89 HG21 ILE 89 44.484 52.492 35.766 742 HG22 ILE 89 HG22 ILE 89 42.915 52.454 34.904 743 HG23 ILE 89 HG23 ILE 89 43.938 51.026 34.935 744 HD11 ILE 89 HD11 ILE 89 43.702 54.314 31.689 745 HD12 ILE 89 HD12 ILE 89 44.280 55.860 32.349 746 HD13 ILE 89 HD13 ILE 89 45.429 54.702 31.669 747 H GLN 90 H GLN 90 46.397 50.559 35.674 748 HA GLN 90 HA GLN 90 46.138 47.984 34.229 749 HB2 GLN 90 HB2 GLN 90 48.402 48.900 36.006 750 HB3 GLN 90 HB3 GLN 90 48.123 47.188 35.686 751 HG2 GLN 90 HG2 GLN 90 48.745 49.317 33.622 752 HG3 GLN 90 HG3 GLN 90 49.837 48.068 34.224 753 HE21 GLN 90 HE22 GLN 90 46.925 48.410 32.050 754 HE22 GLN 90 HE21 GLN 90 47.320 46.907 31.255 755 H PHE 91 H PHE 91 45.849 46.139 35.496 756 HA PHE 91 HA PHE 91 44.288 46.351 37.958 757 HB2 PHE 91 HB2 PHE 91 42.890 47.518 36.149 758 HB3 PHE 91 HB3 PHE 91 42.797 45.975 35.321 759 HD1 PHE 91 HD2 PHE 91 42.303 47.464 38.733 760 HD2 PHE 91 HD1 PHE 91 41.059 44.515 35.856 761 HE1 PHE 91 HE2 PHE 91 40.385 46.862 40.188 762 HE2 PHE 91 HE1 PHE 91 39.133 43.911 37.309 763 HZ PHE 91 HZ PHE 91 38.755 45.131 39.437 764 H ARG 92 H ARG 92 43.474 44.307 38.675 765 HA ARG 92 HA ARG 92 43.615 41.980 36.980 766 HB2 ARG 92 HB2 ARG 92 46.031 42.396 37.874 767 HB3 ARG 92 HB3 ARG 92 45.417 41.912 39.443 768 HG2 ARG 92 HG2 ARG 92 46.448 39.965 38.482 769 HG3 ARG 92 HG3 ARG 92 44.715 39.696 38.373 770 HD2 ARG 92 HD2 ARG 92 44.691 40.322 36.030 771 HD3 ARG 92 HD3 ARG 92 46.363 40.908 36.095 772 HE ARG 92 HE ARG 92 46.200 38.066 36.725 773 HH11 ARG 92 HH11 ARG 92 46.043 40.308 33.896 774 HH12 ARG 92 HH12 ARG 92 46.386 38.980 32.850 775 HH21 ARG 92 HH21 ARG 92 46.762 36.617 35.202 776 HH22 ARG 92 HH22 ARG 92 46.341 36.953 33.510 777 H SER 93 H SER 93 42.216 40.293 37.737 778 HA SER 93 HA SER 93 41.302 40.328 40.546 779 HB2 SER 93 HB2 SER 93 38.921 40.560 39.929 780 HB3 SER 93 HB3 SER 93 39.847 42.004 39.532 781 HG SER 93 HG SER 93 39.065 39.979 37.768 782 H GLY 94 H GLY 94 39.815 38.476 41.089 783 HA2 GLY 94 HA2 GLY 94 38.843 36.440 39.605 784 HA3 GLY 94 HA3 GLY 94 40.542 36.000 39.705 785 H SER 95 H SER 95 40.868 37.064 42.460 786 HA SER 95 HA SER 95 39.527 34.890 43.983 787 HB2 SER 95 HB2 SER 95 42.124 36.348 44.608 788 HB3 SER 95 HB3 SER 95 41.395 35.034 45.529 789 HG SER 95 HG SER 95 42.863 34.296 44.066 790 H SER 96 H SER 96 38.993 38.133 43.728 791 HA SER 96 HA SER 96 38.220 38.441 46.588 792 HB2 SER 96 HB2 SER 96 38.461 40.764 44.655 793 HB3 SER 96 HB3 SER 96 38.355 40.783 46.425 794 HG SER 96 HG SER 96 40.461 39.759 44.923 795 H HIS 97 H HIS 97 36.734 37.082 44.351 796 HA HIS 97 HA HIS 97 34.220 38.346 43.946 797 HB2 HIS 97 HB2 HIS 97 33.573 36.102 43.233 798 HB3 HIS 97 HB3 HIS 97 35.124 36.634 42.522 799 HD2 HIS 97 HD2 HIS 97 33.575 33.876 44.425 800 HE1 HIS 97 HE1 HIS 97 37.739 33.398 45.176 801 HE2 HIS 97 HE2 HIS 97 35.447 32.312 45.394 802 H ALA 98 H ALA 98 32.308 38.085 44.898 803 HA ALA 98 HA ALA 98 32.038 37.045 47.678 804 HB1 ALA 98 HB1 ALA 98 32.896 39.334 47.866 805 HB2 ALA 98 HB2 ALA 98 31.708 39.908 46.656 806 HB3 ALA 98 HB3 ALA 98 31.151 39.386 48.233 807 HA PRO 99 HA PRO 99 27.860 36.554 46.311 808 HB2 PRO 99 HB2 PRO 99 26.350 36.942 48.560 809 HB3 PRO 99 HB3 PRO 99 27.330 35.487 48.208 810 HG2 PRO 99 HG2 PRO 99 28.141 37.925 49.873 811 HG3 PRO 99 HG3 PRO 99 28.259 36.199 50.354 812 HD2 PRO 99 HD2 PRO 99 30.401 37.469 49.366 813 HD3 PRO 99 HD3 PRO 99 30.022 35.812 48.830 814 H GLN 100 H GLN 100 25.899 37.562 45.856 815 HA GLN 100 HA GLN 100 25.964 40.454 45.577 816 HB2 GLN 100 HB2 GLN 100 25.367 39.048 43.740 817 HB3 GLN 100 HB3 GLN 100 24.086 38.230 44.639 818 HG2 GLN 100 HG2 GLN 100 22.756 40.180 44.805 819 HG3 GLN 100 HG3 GLN 100 24.058 41.227 44.189 820 HE21 GLN 100 HE22 GLN 100 21.307 40.888 43.274 821 HE22 GLN 100 HE21 GLN 100 21.383 40.372 41.601 822 H ASP 101 H ASP 101 23.339 38.263 46.583 823 HA ASP 101 HA ASP 101 23.048 39.746 49.127 824 HB2 ASP 101 HB2 ASP 101 21.415 40.325 47.204 825 HB3 ASP 101 HB3 ASP 101 20.707 38.743 47.493 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 52.417 32.362 14.912 2 H2 GLY 1 H2 GLY 1 52.930 31.851 16.348 3 H3 GLY 1 H3 GLY 1 54.011 32.103 15.093 4 HA2 GLY 1 HA2 GLY 1 53.632 34.446 15.134 5 HA3 GLY 1 HA3 GLY 1 52.302 34.195 16.279 6 H SER 2 H SER 2 54.202 36.052 16.935 7 HA SER 2 HA SER 2 55.801 34.971 19.173 8 HB2 SER 2 HB2 SER 2 57.778 35.931 18.362 9 HB3 SER 2 HB3 SER 2 57.093 35.169 16.928 10 HG SER 2 HG SER 2 57.918 37.279 16.722 11 H GLU 3 H GLU 3 56.394 36.606 20.714 12 HA GLU 3 HA GLU 3 55.463 39.339 20.320 13 HB2 GLU 3 HB2 GLU 3 53.601 37.762 21.536 14 HB3 GLU 3 HB3 GLU 3 54.582 38.212 22.942 15 HG2 GLU 3 HG2 GLU 3 52.863 39.776 22.810 16 HG3 GLU 3 HG3 GLU 3 54.318 40.627 22.294 17 H PHE 4 H PHE 4 56.423 40.794 21.312 18 HA PHE 4 HA PHE 4 58.637 40.269 23.214 19 HB2 PHE 4 HB2 PHE 4 59.193 40.787 20.808 20 HB3 PHE 4 HB3 PHE 4 58.240 42.245 20.924 21 HD1 PHE 4 HD2 PHE 4 61.059 40.439 22.569 22 HD2 PHE 4 HD1 PHE 4 59.270 44.222 21.627 23 HE1 PHE 4 HE2 PHE 4 63.158 41.588 23.268 24 HE2 PHE 4 HE1 PHE 4 61.367 45.395 22.364 25 HZ PHE 4 HZ PHE 4 63.316 44.045 23.140 26 H GLU 5 H GLU 5 56.177 42.669 22.128 27 HA GLU 5 HA GLU 5 56.279 44.062 24.738 28 HB2 GLU 5 HB2 GLU 5 54.678 44.677 22.225 29 HB3 GLU 5 HB3 GLU 5 54.632 45.600 23.751 30 HG2 GLU 5 HG2 GLU 5 57.041 46.038 23.576 31 HG3 GLU 5 HG3 GLU 5 57.096 45.158 22.039 32 H LEU 6 H LEU 6 55.770 41.735 25.457 33 HA LEU 6 HA LEU 6 52.903 41.078 25.297 34 HB2 LEU 6 HB2 LEU 6 54.899 39.450 24.928 35 HB3 LEU 6 HB3 LEU 6 55.156 39.603 26.659 36 HG LEU 6 HG LEU 6 52.958 38.628 27.151 37 HD11 LEU 6 HD11 LEU 6 51.860 39.272 24.829 38 HD12 LEU 6 HD12 LEU 6 52.511 37.704 24.323 39 HD13 LEU 6 HD13 LEU 6 51.405 37.816 25.701 40 HD21 LEU 6 HD21 LEU 6 54.600 36.852 25.327 41 HD22 LEU 6 HD22 LEU 6 54.970 37.256 27.012 42 HD23 LEU 6 HD23 LEU 6 53.506 36.348 26.637 43 H ARG 7 H ARG 7 51.873 40.268 27.193 44 HA ARG 7 HA ARG 7 51.671 42.221 29.291 45 HB2 ARG 7 HB2 ARG 7 50.637 39.374 28.990 46 HB3 ARG 7 HB3 ARG 7 50.223 40.490 30.304 47 HG2 ARG 7 HG2 ARG 7 48.401 40.750 28.956 48 HG3 ARG 7 HG3 ARG 7 49.416 42.073 28.380 49 HD2 ARG 7 HD2 ARG 7 48.383 41.080 26.533 50 HD3 ARG 7 HD3 ARG 7 50.112 40.598 26.455 51 HE ARG 7 HE ARG 7 48.569 38.590 27.786 52 HH11 ARG 7 HH11 ARG 7 49.112 39.734 24.396 53 HH12 ARG 7 HH12 ARG 7 48.167 38.392 23.817 54 HH21 ARG 7 HH21 ARG 7 47.399 37.056 26.787 55 HH22 ARG 7 HH22 ARG 7 47.506 36.824 25.074 56 H ARG 8 H ARG 8 53.180 42.360 31.004 57 HA ARG 8 HA ARG 8 53.846 39.935 32.507 58 HB2 ARG 8 HB2 ARG 8 56.320 40.545 32.553 59 HB3 ARG 8 HB3 ARG 8 55.687 39.791 31.099 60 HG2 ARG 8 HG2 ARG 8 55.448 42.208 30.125 61 HG3 ARG 8 HG3 ARG 8 56.386 42.733 31.527 62 HD2 ARG 8 HD2 ARG 8 58.220 41.192 30.636 63 HD3 ARG 8 HD3 ARG 8 57.139 40.942 29.223 64 HE ARG 8 HE ARG 8 57.697 43.739 30.013 65 HH11 ARG 8 HH11 ARG 8 58.141 41.251 27.544 66 HH12 ARG 8 HH12 ARG 8 58.717 42.452 26.414 67 HH21 ARG 8 HH21 ARG 8 58.870 44.971 28.637 68 HH22 ARG 8 HH22 ARG 8 59.113 44.455 26.973 69 H GLN 9 H GLN 9 54.515 40.142 34.603 70 HA GLN 9 HA GLN 9 54.655 42.811 35.960 71 HB2 GLN 9 HB2 GLN 9 53.152 40.422 36.972 72 HB3 GLN 9 HB3 GLN 9 53.321 42.011 37.734 73 HG2 GLN 9 HG2 GLN 9 51.939 41.736 35.027 74 HG3 GLN 9 HG3 GLN 9 51.091 41.538 36.560 75 HE21 GLN 9 HE22 GLN 9 52.821 43.885 34.521 76 HE22 GLN 9 HE21 GLN 9 52.184 45.282 35.362 77 H GLN 10 H GLN 10 55.348 42.217 38.536 78 HA GLN 10 HA GLN 10 58.061 41.167 37.973 79 HB2 GLN 10 HB2 GLN 10 57.171 42.550 40.510 80 HB3 GLN 10 HB3 GLN 10 58.794 42.328 39.887 81 HG2 GLN 10 HG2 GLN 10 58.094 43.827 37.895 82 HG3 GLN 10 HG3 GLN 10 56.642 44.201 38.846 83 HE21 GLN 10 HE22 GLN 10 57.123 44.843 41.257 84 HE22 GLN 10 HE21 GLN 10 58.475 45.938 41.401 85 H ALA 11 H ALA 11 55.280 40.424 39.835 86 HA ALA 11 HA ALA 11 55.996 37.827 40.703 87 HB1 ALA 11 HB1 ALA 11 55.885 40.000 42.868 88 HB2 ALA 11 HB2 ALA 11 56.006 38.263 43.152 89 HB3 ALA 11 HB3 ALA 11 57.353 39.112 42.383 90 H LEU 12 H LEU 12 54.210 37.292 42.588 91 HA LEU 12 HA LEU 12 51.599 37.450 41.579 92 HB2 LEU 12 HB2 LEU 12 52.669 37.105 44.423 93 HB3 LEU 12 HB3 LEU 12 51.034 36.701 43.989 94 HG LEU 12 HG LEU 12 53.385 35.419 42.527 95 HD11 LEU 12 HD11 LEU 12 53.289 33.546 44.106 96 HD12 LEU 12 HD12 LEU 12 53.924 35.023 44.792 97 HD13 LEU 12 HD13 LEU 12 52.255 34.535 45.194 98 HD21 LEU 12 HD21 LEU 12 51.295 34.963 41.454 99 HD22 LEU 12 HD22 LEU 12 51.747 33.517 42.373 100 HD23 LEU 12 HD23 LEU 12 50.472 34.608 42.967 101 H ALA 13 H ALA 13 49.987 38.874 41.657 102 HA ALA 13 HA ALA 13 50.412 41.376 43.188 103 HB1 ALA 13 HB1 ALA 13 49.916 41.095 40.197 104 HB2 ALA 13 HB2 ALA 13 50.220 42.615 41.098 105 HB3 ALA 13 HB3 ALA 13 51.492 41.389 40.901 106 H GLU 14 H GLU 14 48.563 42.377 43.881 107 HA GLU 14 HA GLU 14 45.910 41.529 42.833 108 HB2 GLU 14 HB2 GLU 14 46.199 42.323 45.743 109 HB3 GLU 14 HB3 GLU 14 44.870 41.551 44.916 110 HG2 GLU 14 HG2 GLU 14 45.996 39.453 44.786 111 HG3 GLU 14 HG3 GLU 14 47.530 40.154 45.310 112 H ALA 15 H ALA 15 44.449 43.188 42.448 113 HA ALA 15 HA ALA 15 45.172 45.967 43.066 114 HB1 ALA 15 HB1 ALA 15 42.635 44.634 42.059 115 HB2 ALA 15 HB2 ALA 15 42.722 46.357 42.525 116 HB3 ALA 15 HB3 ALA 15 43.709 45.748 41.199 117 H ASP 16 H ASP 16 44.516 47.036 45.070 118 HA ASP 16 HA ASP 16 42.727 45.722 46.944 119 HB2 ASP 16 HB2 ASP 16 44.816 44.590 47.504 120 HB3 ASP 16 HB3 ASP 16 45.672 46.128 47.568 121 H ARG 17 H ARG 17 41.448 47.530 47.080 122 HA ARG 17 HA ARG 17 40.625 49.550 47.477 123 HB2 ARG 17 HB2 ARG 17 43.164 49.859 49.166 124 HB3 ARG 17 HB3 ARG 17 41.985 51.129 49.038 125 HG2 ARG 17 HG2 ARG 17 40.229 49.590 49.930 126 HG3 ARG 17 HG3 ARG 17 41.500 48.363 50.202 127 HD2 ARG 17 HD2 ARG 17 42.790 50.029 51.501 128 HD3 ARG 17 HD3 ARG 17 41.445 51.173 51.352 129 HE ARG 17 HE ARG 17 40.014 49.365 52.489 130 HH11 ARG 17 HH11 ARG 17 43.298 50.086 53.303 131 HH12 ARG 17 HH12 ARG 17 43.113 49.670 54.987 132 HH21 ARG 17 HH21 ARG 17 39.835 48.516 54.566 133 HH22 ARG 17 HH22 ARG 17 41.062 48.969 55.696 134 H THR 18 H THR 18 43.405 49.437 45.597 135 HA THR 18 HA THR 18 43.315 52.341 44.912 136 HB THR 18 HB THR 18 45.939 50.904 44.953 137 HG1 THR 18 HG1 THR 18 44.998 50.471 46.981 138 HG21 THR 18 HG21 THR 18 45.084 53.730 45.755 139 HG22 THR 18 HG22 THR 18 46.761 53.158 45.656 140 HG23 THR 18 HG23 THR 18 45.780 53.284 44.194 141 H LEU 19 H LEU 19 44.432 52.731 42.777 142 HA LEU 19 HA LEU 19 44.408 50.390 40.922 143 HB2 LEU 19 HB2 LEU 19 42.627 52.192 40.750 144 HB3 LEU 19 HB3 LEU 19 43.931 53.356 40.475 145 HG LEU 19 HG LEU 19 44.453 52.531 38.340 146 HD11 LEU 19 HD11 LEU 19 43.142 50.604 37.317 147 HD12 LEU 19 HD12 LEU 19 44.243 50.088 38.562 148 HD13 LEU 19 HD13 LEU 19 42.529 50.253 38.967 149 HD21 LEU 19 HD21 LEU 19 41.421 52.677 38.770 150 HD22 LEU 19 HD22 LEU 19 42.501 54.055 38.628 151 HD23 LEU 19 HD23 LEU 19 42.236 53.010 37.238 152 H PHE 20 H PHE 20 46.267 49.816 40.038 153 HA PHE 20 HA PHE 20 48.575 51.530 40.123 154 HB2 PHE 20 HB2 PHE 20 48.412 48.933 40.033 155 HB3 PHE 20 HB3 PHE 20 48.330 49.157 38.287 156 HD1 PHE 20 HD1 PHE 20 50.361 50.355 37.101 157 HD2 PHE 20 HD2 PHE 20 50.333 49.384 41.310 158 HE1 PHE 20 HE1 PHE 20 52.780 50.743 37.210 159 HE2 PHE 20 HE2 PHE 20 52.753 49.863 41.429 160 HZ PHE 20 HZ PHE 20 54.019 50.394 39.328 161 H VAL 21 H VAL 21 49.349 52.910 38.740 162 HA VAL 21 HA VAL 21 48.390 53.001 35.917 163 HB VAL 21 HB VAL 21 48.759 55.387 37.798 164 HG11 VAL 21 HG11 VAL 21 47.712 55.400 34.947 165 HG12 VAL 21 HG12 VAL 21 48.012 56.775 36.027 166 HG13 VAL 21 HG13 VAL 21 49.384 55.849 35.382 167 HG21 VAL 21 HG21 VAL 21 46.644 54.270 38.270 168 HG22 VAL 21 HG22 VAL 21 46.246 55.681 37.306 169 HG23 VAL 21 HG23 VAL 21 46.304 54.091 36.533 170 H GLY 22 H GLY 22 50.181 52.498 34.696 171 HA2 GLY 22 HA2 GLY 22 52.769 53.642 35.629 172 HA3 GLY 22 HA3 GLY 22 52.728 52.132 34.790 173 H ASN 23 H ASN 23 54.217 53.485 33.574 174 HA ASN 23 HA ASN 23 54.907 54.264 31.597 175 HB2 ASN 23 HB2 ASN 23 52.748 53.074 30.771 176 HB3 ASN 23 HB3 ASN 23 52.110 54.718 30.616 177 HD21 ASN 23 HD21 ASN 23 51.970 54.678 28.402 178 HD22 ASN 23 HD22 ASN 23 53.350 54.474 27.333 179 H LEU 24 H LEU 24 54.440 55.975 33.811 180 HA LEU 24 HA LEU 24 53.263 58.471 33.071 181 HB2 LEU 24 HB2 LEU 24 55.152 57.628 35.291 182 HB3 LEU 24 HB3 LEU 24 54.551 59.259 35.112 183 HG LEU 24 HG LEU 24 53.477 57.648 36.829 184 HD11 LEU 24 HD11 LEU 24 51.885 59.346 34.897 185 HD12 LEU 24 HD12 LEU 24 51.103 58.471 36.238 186 HD13 LEU 24 HD13 LEU 24 52.345 59.669 36.593 187 HD21 LEU 24 HD21 LEU 24 53.188 55.786 35.200 188 HD22 LEU 24 HD22 LEU 24 51.819 56.178 36.267 189 HD23 LEU 24 HD23 LEU 24 51.776 56.659 34.552 190 H GLU 25 H GLU 25 54.178 60.504 32.847 191 HA GLU 25 HA GLU 25 56.551 60.675 31.320 192 HB2 GLU 25 HB2 GLU 25 54.360 62.421 32.035 193 HB3 GLU 25 HB3 GLU 25 55.817 63.301 32.403 194 HG2 GLU 25 HG2 GLU 25 55.491 61.811 29.777 195 HG3 GLU 25 HG3 GLU 25 54.827 63.433 30.007 196 H THR 26 H THR 26 58.377 61.950 31.592 197 HA THR 26 HA THR 26 60.018 61.614 33.871 198 HB THR 26 HB THR 26 61.602 62.902 32.486 199 HG1 THR 26 HG1 THR 26 59.345 63.865 31.175 200 HG21 THR 26 HG21 THR 26 60.792 60.614 31.608 201 HG22 THR 26 HG22 THR 26 59.810 61.488 30.437 202 HG23 THR 26 HG23 THR 26 61.558 61.682 30.426 203 H LYS 27 H LYS 27 57.702 64.077 32.981 204 HA LYS 27 HA LYS 27 58.481 65.906 35.214 205 HB2 LYS 27 HB2 LYS 27 56.952 66.385 32.679 206 HB3 LYS 27 HB3 LYS 27 57.234 67.571 33.961 207 HG2 LYS 27 HG2 LYS 27 59.724 66.258 32.931 208 HG3 LYS 27 HG3 LYS 27 58.813 67.195 31.748 209 HD2 LYS 27 HD2 LYS 27 60.467 68.530 32.719 210 HD3 LYS 27 HD3 LYS 27 58.901 69.146 33.302 211 HE2 LYS 27 HE2 LYS 27 59.257 68.340 35.518 212 HE3 LYS 27 HE3 LYS 27 60.412 67.111 34.973 213 HZ1 LYS 27 HZ1 LYS 27 61.283 69.095 36.202 214 HZ2 LYS 27 HZ2 LYS 27 62.045 68.667 34.821 215 HZ3 LYS 27 HZ3 LYS 27 61.073 69.942 34.796 216 H VAL 28 H VAL 28 56.369 63.359 35.013 217 HA VAL 28 HA VAL 28 53.846 64.552 35.305 218 HB VAL 28 HB VAL 28 54.358 62.216 34.703 219 HG11 VAL 28 HG11 VAL 28 54.902 61.923 37.678 220 HG12 VAL 28 HG12 VAL 28 54.387 60.553 36.705 221 HG13 VAL 28 HG13 VAL 28 55.878 61.430 36.295 222 HG21 VAL 28 HG21 VAL 28 52.087 63.256 35.499 223 HG22 VAL 28 HG22 VAL 28 52.242 61.545 35.183 224 HG23 VAL 28 HG23 VAL 28 52.317 62.145 36.876 225 H THR 29 H THR 29 52.328 64.484 37.164 226 HA THR 29 HA THR 29 53.261 64.579 39.910 227 HB THR 29 HB THR 29 52.132 66.738 40.407 228 HG1 THR 29 HG1 THR 29 52.393 67.764 37.990 229 HG21 THR 29 HG21 THR 29 54.504 67.057 38.546 230 HG22 THR 29 HG22 THR 29 53.940 68.198 39.804 231 HG23 THR 29 HG23 THR 29 54.552 66.590 40.260 232 H GLU 30 H GLU 30 51.279 65.030 41.349 233 HA GLU 30 HA GLU 30 49.105 63.285 40.687 234 HB2 GLU 30 HB2 GLU 30 49.097 65.415 42.871 235 HB3 GLU 30 HB3 GLU 30 48.083 63.982 42.750 236 HG2 GLU 30 HG2 GLU 30 50.143 62.545 42.936 237 HG3 GLU 30 HG3 GLU 30 51.111 63.965 43.067 238 H GLU 31 H GLU 31 49.621 66.708 40.130 239 HA GLU 31 HA GLU 31 46.786 67.241 39.637 240 HB2 GLU 31 HB2 GLU 31 49.246 68.819 38.878 241 HB3 GLU 31 HB3 GLU 31 47.575 69.457 38.984 242 HG2 GLU 31 HG2 GLU 31 47.767 68.796 41.512 243 HG3 GLU 31 HG3 GLU 31 49.496 68.648 41.156 244 H LEU 32 H LEU 32 49.529 66.282 37.598 245 HA LEU 32 HA LEU 32 48.041 66.674 35.130 246 HB2 LEU 32 HB2 LEU 32 50.632 66.435 35.345 247 HB3 LEU 32 HB3 LEU 32 50.353 64.718 35.586 248 HG LEU 32 HG LEU 32 49.263 64.599 33.310 249 HD11 LEU 32 HD11 LEU 32 49.777 66.618 31.804 250 HD12 LEU 32 HD12 LEU 32 48.484 66.840 32.977 251 HD13 LEU 32 HD13 LEU 32 50.084 67.526 33.303 252 HD21 LEU 32 HD21 LEU 32 51.482 64.986 32.093 253 HD22 LEU 32 HD22 LEU 32 52.104 65.624 33.631 254 HD23 LEU 32 HD23 LEU 32 51.567 63.930 33.497 255 H LEU 33 H LEU 33 48.427 64.036 37.430 256 HA LEU 33 HA LEU 33 46.733 62.168 35.999 257 HB2 LEU 33 HB2 LEU 33 47.545 62.431 38.888 258 HB3 LEU 33 HB3 LEU 33 46.837 60.957 38.157 259 HG LEU 33 HG LEU 33 49.565 62.210 37.606 260 HD11 LEU 33 HD11 LEU 33 48.756 59.689 39.058 261 HD12 LEU 33 HD12 LEU 33 50.423 60.195 38.644 262 HD13 LEU 33 HD13 LEU 33 49.428 61.214 39.717 263 HD21 LEU 33 HD21 LEU 33 48.576 59.606 36.458 264 HD22 LEU 33 HD22 LEU 33 48.643 61.158 35.562 265 HD23 LEU 33 HD23 LEU 33 50.127 60.475 36.197 266 H PHE 34 H PHE 34 46.067 64.457 38.717 267 HA PHE 34 HA PHE 34 43.447 63.480 39.257 268 HB2 PHE 34 HB2 PHE 34 44.849 64.863 40.800 269 HB3 PHE 34 HB3 PHE 34 44.571 66.251 39.755 270 HD1 PHE 34 HD1 PHE 34 42.223 67.246 39.723 271 HD2 PHE 34 HD2 PHE 34 43.191 63.821 42.142 272 HE1 PHE 34 HE1 PHE 34 40.173 67.613 41.076 273 HE2 PHE 34 HE2 PHE 34 41.204 64.288 43.590 274 HZ PHE 34 HZ PHE 34 39.765 66.210 43.116 275 H GLU 35 H GLU 35 44.540 66.175 37.148 276 HA GLU 35 HA GLU 35 41.969 67.041 36.376 277 HB2 GLU 35 HB2 GLU 35 43.101 68.343 34.708 278 HB3 GLU 35 HB3 GLU 35 44.214 68.259 36.079 279 HG2 GLU 35 HG2 GLU 35 45.531 66.509 34.921 280 HG3 GLU 35 HG3 GLU 35 44.364 66.513 33.591 281 H LEU 36 H LEU 36 43.574 64.221 35.572 282 HA LEU 36 HA LEU 36 42.520 63.782 32.841 283 HB2 LEU 36 HB2 LEU 36 44.881 63.620 33.005 284 HB3 LEU 36 HB3 LEU 36 44.834 62.735 34.498 285 HG LEU 36 HG LEU 36 43.612 61.331 32.140 286 HD11 LEU 36 HD11 LEU 36 46.612 61.611 32.532 287 HD12 LEU 36 HD12 LEU 36 45.766 60.434 31.469 288 HD13 LEU 36 HD13 LEU 36 45.684 62.171 31.130 289 HD21 LEU 36 HD21 LEU 36 43.887 60.435 34.566 290 HD22 LEU 36 HD22 LEU 36 44.523 59.391 33.273 291 HD23 LEU 36 HD23 LEU 36 45.624 60.383 34.235 292 H PHE 37 H PHE 37 42.668 62.272 36.066 293 HA PHE 37 HA PHE 37 40.849 60.062 35.392 294 HB2 PHE 37 HB2 PHE 37 42.078 60.968 37.992 295 HB3 PHE 37 HB3 PHE 37 40.963 59.598 37.811 296 HD1 PHE 37 HD2 PHE 37 41.544 57.813 36.026 297 HD2 PHE 37 HD1 PHE 37 44.463 60.380 37.880 298 HE1 PHE 37 HE2 PHE 37 43.382 56.424 35.073 299 HE2 PHE 37 HE1 PHE 37 46.286 59.070 36.788 300 HZ PHE 37 HZ PHE 37 45.720 57.182 35.279 301 H HIS 38 H HIS 38 40.388 63.356 36.313 302 HA HIS 38 HA HIS 38 37.875 63.072 37.685 303 HB2 HIS 38 HB2 HIS 38 39.457 65.044 37.682 304 HB3 HIS 38 HB3 HIS 38 38.859 65.439 36.072 305 HD2 HIS 38 HD2 HIS 38 37.840 65.388 39.812 306 HE1 HIS 38 HE1 HIS 38 35.044 67.853 37.769 307 HE2 HIS 38 HE2 HIS 38 35.902 67.146 40.033 308 H GLN 39 H GLN 39 38.714 63.124 34.301 309 HA GLN 39 HA GLN 39 36.125 63.038 32.995 310 HB2 GLN 39 HB2 GLN 39 38.786 61.787 32.294 311 HB3 GLN 39 HB3 GLN 39 37.388 61.898 31.217 312 HG2 GLN 39 HG2 GLN 39 37.538 64.249 31.016 313 HG3 GLN 39 HG3 GLN 39 38.795 64.363 32.272 314 HE21 GLN 39 HE22 GLN 39 38.238 62.833 29.024 315 HE22 GLN 39 HE21 GLN 39 39.924 63.023 28.548 316 H ALA 40 H ALA 40 37.933 60.642 34.858 317 HA ALA 40 HA ALA 40 36.613 58.289 33.623 318 HB1 ALA 40 HB1 ALA 40 38.996 58.691 35.496 319 HB2 ALA 40 HB2 ALA 40 38.336 57.107 35.176 320 HB3 ALA 40 HB3 ALA 40 38.975 58.069 33.832 321 H GLY 41 H GLY 41 36.366 60.382 36.349 322 HA2 GLY 41 HA2 GLY 41 33.981 60.270 37.211 323 HA3 GLY 41 HA3 GLY 41 34.333 58.571 37.562 324 HA PRO 42 HA PRO 42 35.023 61.017 41.353 325 HB2 PRO 42 HB2 PRO 42 34.112 59.214 43.183 326 HB3 PRO 42 HB3 PRO 42 33.009 60.237 42.232 327 HG2 PRO 42 HG2 PRO 42 33.699 57.346 41.858 328 HG3 PRO 42 HG3 PRO 42 32.161 58.168 41.495 329 HD2 PRO 42 HD2 PRO 42 34.128 57.486 39.617 330 HD3 PRO 42 HD3 PRO 42 32.875 58.734 39.349 331 H VAL 43 H VAL 43 37.070 61.172 41.864 332 HA VAL 43 HA VAL 43 38.660 58.797 42.745 333 HB VAL 43 HB VAL 43 39.600 61.519 41.770 334 HG11 VAL 43 HG11 VAL 43 41.156 59.033 42.611 335 HG12 VAL 43 HG12 VAL 43 41.883 60.468 41.856 336 HG13 VAL 43 HG13 VAL 43 41.134 60.585 43.449 337 HG21 VAL 43 HG21 VAL 43 38.829 60.072 39.856 338 HG22 VAL 43 HG22 VAL 43 40.554 60.476 39.861 339 HG23 VAL 43 HG23 VAL 43 40.028 58.854 40.400 340 H ILE 44 H ILE 44 38.949 58.636 44.880 341 HA ILE 44 HA ILE 44 38.273 60.712 46.759 342 HB ILE 44 HB ILE 44 39.931 58.195 47.227 343 HG12 ILE 44 HG12 ILE 44 36.994 58.779 47.317 344 HG13 ILE 44 HG13 ILE 44 37.866 57.406 46.620 345 HG21 ILE 44 HG21 ILE 44 38.558 59.817 49.401 346 HG22 ILE 44 HG22 ILE 44 39.782 58.534 49.521 347 HG23 ILE 44 HG23 ILE 44 40.223 60.147 48.946 348 HD11 ILE 44 HD11 ILE 44 38.206 56.460 48.907 349 HD12 ILE 44 HD12 ILE 44 37.348 57.852 49.590 350 HD13 ILE 44 HD13 ILE 44 36.506 56.731 48.513 351 H LYS 45 H LYS 45 41.407 59.430 45.659 352 HA LYS 45 HA LYS 45 42.765 61.965 45.701 353 HB2 LYS 45 HB2 LYS 45 44.331 61.593 47.517 354 HB3 LYS 45 HB3 LYS 45 42.707 61.364 48.136 355 HG2 LYS 45 HG2 LYS 45 43.734 58.823 47.215 356 HG3 LYS 45 HG3 LYS 45 44.919 59.559 48.287 357 HD2 LYS 45 HD2 LYS 45 42.010 59.159 49.101 358 HD3 LYS 45 HD3 LYS 45 43.270 57.947 49.308 359 HE2 LYS 45 HE2 LYS 45 43.115 58.937 51.375 360 HE3 LYS 45 HE3 LYS 45 44.605 59.526 50.676 361 HZ1 LYS 45 HZ1 LYS 45 43.042 61.095 51.812 362 HZ2 LYS 45 HZ2 LYS 45 43.731 61.610 50.475 363 HZ3 LYS 45 HZ3 LYS 45 42.127 61.166 50.501 364 H VAL 46 H VAL 46 45.057 61.819 45.038 365 HA VAL 46 HA VAL 46 45.738 59.516 43.209 366 HB VAL 46 HB VAL 46 46.205 62.520 42.929 367 HG11 VAL 46 HG11 VAL 46 47.133 60.375 40.986 368 HG12 VAL 46 HG12 VAL 46 47.176 62.157 40.804 369 HG13 VAL 46 HG13 VAL 46 48.202 61.375 41.997 370 HG21 VAL 46 HG21 VAL 46 43.950 61.775 42.349 371 HG22 VAL 46 HG22 VAL 46 44.852 62.317 40.927 372 HG23 VAL 46 HG23 VAL 46 44.617 60.575 41.221 373 H LYS 47 H LYS 47 47.952 58.699 43.301 374 HA LYS 47 HA LYS 47 49.838 60.129 45.118 375 HB2 LYS 47 HB2 LYS 47 49.358 58.065 46.271 376 HB3 LYS 47 HB3 LYS 47 49.197 57.185 44.761 377 HG2 LYS 47 HG2 LYS 47 51.242 56.459 45.815 378 HG3 LYS 47 HG3 LYS 47 51.732 57.388 44.442 379 HD2 LYS 47 HD2 LYS 47 52.160 59.405 45.904 380 HD3 LYS 47 HD3 LYS 47 51.473 58.542 47.264 381 HE2 LYS 47 HE2 LYS 47 53.198 56.784 47.019 382 HE3 LYS 47 HE3 LYS 47 53.951 57.676 45.698 383 HZ1 LYS 47 HZ1 LYS 47 53.916 58.227 48.540 384 HZ2 LYS 47 HZ2 LYS 47 55.126 58.569 47.515 385 HZ3 LYS 47 HZ3 LYS 47 53.808 59.540 47.620 386 H ILE 48 H ILE 48 51.505 60.843 44.387 387 HA ILE 48 HA ILE 48 52.845 59.564 42.068 388 HB ILE 48 HB ILE 48 52.702 62.412 42.978 389 HG12 ILE 48 HG12 ILE 48 51.300 61.361 41.140 390 HG13 ILE 48 HG13 ILE 48 52.219 62.813 40.744 391 HG21 ILE 48 HG21 ILE 48 55.084 61.176 41.645 392 HG22 ILE 48 HG22 ILE 48 54.641 62.927 41.567 393 HG23 ILE 48 HG23 ILE 48 54.981 62.161 43.123 394 HD11 ILE 48 HD11 ILE 48 53.085 60.001 39.920 395 HD12 ILE 48 HD12 ILE 48 52.301 61.227 38.896 396 HD13 ILE 48 HD13 ILE 48 53.911 61.531 39.567 397 HA PRO 49 HA PRO 49 55.984 58.297 45.182 398 HB2 PRO 49 HB2 PRO 49 57.410 56.720 43.458 399 HB3 PRO 49 HB3 PRO 49 55.890 56.147 44.184 400 HG2 PRO 49 HG2 PRO 49 56.300 57.349 41.430 401 HG3 PRO 49 HG3 PRO 49 55.369 55.892 41.881 402 HD2 PRO 49 HD2 PRO 49 54.208 58.309 41.479 403 HD3 PRO 49 HD3 PRO 49 53.580 57.189 42.713 404 H LYS 50 H LYS 50 58.417 58.432 45.123 405 HA LYS 50 HA LYS 50 59.843 59.550 42.963 406 HB2 LYS 50 HB2 LYS 50 59.590 61.315 45.391 407 HB3 LYS 50 HB3 LYS 50 60.945 61.366 44.243 408 HG2 LYS 50 HG2 LYS 50 59.146 61.607 42.395 409 HG3 LYS 50 HG3 LYS 50 58.075 62.121 43.707 410 HD2 LYS 50 HD2 LYS 50 59.595 63.986 44.241 411 HD3 LYS 50 HD3 LYS 50 60.739 63.432 43.015 412 HE2 LYS 50 HE2 LYS 50 58.966 63.638 41.260 413 HE3 LYS 50 HE3 LYS 50 57.851 64.270 42.463 414 HZ1 LYS 50 HZ1 LYS 50 59.107 65.961 41.070 415 HZ2 LYS 50 HZ2 LYS 50 59.160 66.214 42.643 416 HZ3 LYS 50 HZ3 LYS 50 60.450 65.560 41.945 417 H ASP 51 H ASP 51 61.441 58.390 42.955 418 HA ASP 51 HA ASP 51 63.040 56.897 44.822 419 HB2 ASP 51 HB2 ASP 51 63.141 56.899 42.256 420 HB3 ASP 51 HB3 ASP 51 63.931 58.464 42.384 421 H LYS 52 H LYS 52 65.167 57.298 45.627 422 HA LYS 52 HA LYS 52 65.779 59.659 46.974 423 HB2 LYS 52 HB2 LYS 52 68.123 58.804 46.959 424 HB3 LYS 52 HB3 LYS 52 66.938 57.569 47.367 425 HG2 LYS 52 HG2 LYS 52 67.932 56.259 45.863 426 HG3 LYS 52 HG3 LYS 52 67.113 57.218 44.633 427 HD2 LYS 52 HD2 LYS 52 69.095 58.564 44.234 428 HD3 LYS 52 HD3 LYS 52 69.964 57.753 45.549 429 HE2 LYS 52 HE2 LYS 52 70.737 56.680 43.644 430 HE3 LYS 52 HE3 LYS 52 69.604 55.558 44.370 431 HZ1 LYS 52 HZ1 LYS 52 69.326 57.245 41.991 432 HZ2 LYS 52 HZ2 LYS 52 69.164 55.662 42.015 433 HZ3 LYS 52 HZ3 LYS 52 67.963 56.623 42.644 434 H ASP 53 H ASP 53 66.409 58.948 43.531 435 HA ASP 53 HA ASP 53 67.771 61.446 43.071 436 HB2 ASP 53 HB2 ASP 53 68.115 59.343 41.817 437 HB3 ASP 53 HB3 ASP 53 66.558 59.566 41.031 438 H GLY 54 H GLY 54 64.398 60.878 43.612 439 HA2 GLY 54 HA2 GLY 54 62.829 62.543 43.765 440 HA3 GLY 54 HA3 GLY 54 63.782 63.629 42.769 441 H LYS 55 H LYS 55 62.790 60.239 41.903 442 HA LYS 55 HA LYS 55 61.169 61.436 39.741 443 HB2 LYS 55 HB2 LYS 55 63.523 60.654 39.159 444 HB3 LYS 55 HB3 LYS 55 63.003 58.987 39.491 445 HG2 LYS 55 HG2 LYS 55 62.768 59.137 37.137 446 HG3 LYS 55 HG3 LYS 55 61.149 59.450 37.732 447 HD2 LYS 55 HD2 LYS 55 61.505 61.215 36.189 448 HD3 LYS 55 HD3 LYS 55 61.927 61.970 37.724 449 HE2 LYS 55 HE2 LYS 55 63.790 62.620 36.679 450 HE3 LYS 55 HE3 LYS 55 64.382 61.022 37.119 451 HZ1 LYS 55 HZ1 LYS 55 64.861 61.410 34.879 452 HZ2 LYS 55 HZ2 LYS 55 63.734 60.286 34.863 453 HZ3 LYS 55 HZ3 LYS 55 63.376 61.878 34.493 454 HA PRO 56 HA PRO 56 57.998 58.705 41.069 455 HB2 PRO 56 HB2 PRO 56 56.237 58.951 39.025 456 HB3 PRO 56 HB3 PRO 56 56.478 60.244 40.241 457 HG2 PRO 56 HG2 PRO 56 57.666 59.983 37.487 458 HG3 PRO 56 HG3 PRO 56 57.001 61.465 38.247 459 HD2 PRO 56 HD2 PRO 56 59.733 60.961 38.201 460 HD3 PRO 56 HD3 PRO 56 58.965 61.800 39.543 461 H LYS 57 H LYS 57 60.255 57.829 38.876 462 HA LYS 57 HA LYS 57 60.825 55.746 37.928 463 HB2 LYS 57 HB2 LYS 57 58.649 54.651 39.709 464 HB3 LYS 57 HB3 LYS 57 60.027 53.774 39.019 465 HG2 LYS 57 HG2 LYS 57 60.917 53.961 40.985 466 HG3 LYS 57 HG3 LYS 57 61.319 55.637 40.570 467 HD2 LYS 57 HD2 LYS 57 59.217 56.393 41.669 468 HD3 LYS 57 HD3 LYS 57 58.800 54.709 42.053 469 HE2 LYS 57 HE2 LYS 57 61.427 55.998 42.813 470 HE3 LYS 57 HE3 LYS 57 59.995 56.057 43.867 471 HZ1 LYS 57 HZ1 LYS 57 61.475 53.617 43.012 472 HZ2 LYS 57 HZ2 LYS 57 61.350 54.199 44.485 473 HZ3 LYS 57 HZ3 LYS 57 60.040 53.565 43.797 474 H GLN 58 H GLN 58 58.633 57.349 36.614 475 HA GLN 58 HA GLN 58 57.038 57.210 35.027 476 HB2 GLN 58 HB2 GLN 58 58.559 54.720 34.352 477 HB3 GLN 58 HB3 GLN 58 57.205 55.344 33.415 478 HG2 GLN 58 HG2 GLN 58 58.533 57.681 33.566 479 HG3 GLN 58 HG3 GLN 58 59.902 56.691 33.986 480 HE21 GLN 58 HE21 GLN 58 57.372 57.250 31.554 481 HE22 GLN 58 HE22 GLN 58 58.228 56.485 30.207 482 H PHE 59 H PHE 59 56.154 56.365 37.644 483 HA PHE 59 HA PHE 59 53.754 54.839 36.908 484 HB2 PHE 59 HB2 PHE 59 54.084 52.976 37.931 485 HB3 PHE 59 HB3 PHE 59 55.734 53.309 37.512 486 HD1 PHE 59 HD1 PHE 59 53.445 53.707 40.545 487 HD2 PHE 59 HD2 PHE 59 57.400 53.081 38.982 488 HE1 PHE 59 HE1 PHE 59 54.313 53.389 42.848 489 HE2 PHE 59 HE2 PHE 59 58.214 52.533 41.281 490 HZ PHE 59 HZ PHE 59 56.659 52.674 43.201 491 H ALA 60 H ALA 60 52.078 54.849 38.521 492 HA ALA 60 HA ALA 60 52.338 56.557 40.880 493 HB1 ALA 60 HB1 ALA 60 50.510 57.175 38.535 494 HB2 ALA 60 HB2 ALA 60 50.630 58.116 40.058 495 HB3 ALA 60 HB3 ALA 60 52.000 58.073 38.928 496 H PHE 61 H PHE 61 49.844 56.843 41.774 497 HA PHE 61 HA PHE 61 48.222 54.462 41.173 498 HB2 PHE 61 HB2 PHE 61 49.465 55.359 43.821 499 HB3 PHE 61 HB3 PHE 61 47.902 54.587 43.873 500 HD1 PHE 61 HD1 PHE 61 47.592 52.267 43.417 501 HD2 PHE 61 HD2 PHE 61 51.516 54.056 43.318 502 HE1 PHE 61 HE1 PHE 61 48.598 50.047 43.722 503 HE2 PHE 61 HE2 PHE 61 52.534 51.832 43.679 504 HZ PHE 61 HZ PHE 61 51.092 49.807 43.829 505 H VAL 62 H VAL 62 46.000 54.613 41.706 506 HA VAL 62 HA VAL 62 45.049 57.289 42.634 507 HB VAL 62 HB VAL 62 43.549 55.758 40.506 508 HG11 VAL 62 HG11 VAL 62 42.163 57.362 41.491 509 HG12 VAL 62 HG12 VAL 62 43.462 58.588 41.591 510 HG13 VAL 62 HG13 VAL 62 42.739 58.150 40.030 511 HG21 VAL 62 HG21 VAL 62 45.793 57.770 40.109 512 HG22 VAL 62 HG22 VAL 62 45.564 56.171 39.368 513 HG23 VAL 62 HG23 VAL 62 44.502 57.513 38.909 514 H ASN 63 H ASN 63 43.420 57.363 44.054 515 HA ASN 63 HA ASN 63 42.315 54.836 45.098 516 HB2 ASN 63 HB2 ASN 63 43.324 56.803 46.524 517 HB3 ASN 63 HB3 ASN 63 41.773 57.568 46.286 518 HD21 ASN 63 HD22 ASN 63 43.431 55.102 47.972 519 HD22 ASN 63 HD21 ASN 63 42.055 54.323 48.761 520 H PHE 64 H PHE 64 40.357 54.144 44.657 521 HA PHE 64 HA PHE 64 38.464 55.957 43.262 522 HB2 PHE 64 HB2 PHE 64 37.381 53.807 42.555 523 HB3 PHE 64 HB3 PHE 64 38.945 54.218 41.850 524 HD1 PHE 64 HD1 PHE 64 37.368 52.112 44.531 525 HD2 PHE 64 HD2 PHE 64 40.629 52.549 41.746 526 HE1 PHE 64 HE1 PHE 64 38.296 49.947 45.268 527 HE2 PHE 64 HE2 PHE 64 41.322 50.197 42.226 528 HZ PHE 64 HZ PHE 64 40.252 48.964 44.105 529 H LYS 65 H LYS 65 36.269 55.905 43.617 530 HA LYS 65 HA LYS 65 35.451 55.767 46.452 531 HB2 LYS 65 HB2 LYS 65 35.281 57.853 45.249 532 HB3 LYS 65 HB3 LYS 65 34.395 57.101 43.941 533 HG2 LYS 65 HG2 LYS 65 32.727 58.286 45.045 534 HG3 LYS 65 HG3 LYS 65 32.493 56.694 45.718 535 HD2 LYS 65 HD2 LYS 65 32.398 58.073 47.599 536 HD3 LYS 65 HD3 LYS 65 34.058 57.468 47.631 537 HE2 LYS 65 HE2 LYS 65 34.277 59.768 48.112 538 HE3 LYS 65 HE3 LYS 65 34.641 59.695 46.376 539 HZ1 LYS 65 HZ1 LYS 65 32.091 60.496 47.659 540 HZ2 LYS 65 HZ2 LYS 65 33.108 61.480 46.875 541 HZ3 LYS 65 HZ3 LYS 65 32.256 60.350 46.071 542 H HIS 66 H HIS 66 34.767 54.157 43.376 543 HA HIS 66 HA HIS 66 33.057 52.217 44.828 544 HB2 HIS 66 HB2 HIS 66 31.204 52.394 43.236 545 HB3 HIS 66 HB3 HIS 66 31.478 53.929 44.040 546 HD2 HIS 66 HD2 HIS 66 31.770 55.950 42.435 547 HE1 HIS 66 HE1 HIS 66 31.876 53.833 38.742 548 HE2 HIS 66 HE2 HIS 66 31.725 56.108 39.794 549 H GLU 67 H GLU 67 35.493 52.585 42.505 550 HA GLU 67 HA GLU 67 34.448 50.988 40.357 551 HB2 GLU 67 HB2 GLU 67 36.972 52.487 40.918 552 HB3 GLU 67 HB3 GLU 67 36.856 51.443 39.493 553 HG2 GLU 67 HG2 GLU 67 35.018 52.728 38.590 554 HG3 GLU 67 HG3 GLU 67 34.835 53.622 40.103 555 H VAL 68 H VAL 68 34.545 49.295 42.547 556 HA VAL 68 HA VAL 68 36.939 47.671 42.691 557 HB VAL 68 HB VAL 68 34.198 47.542 43.883 558 HG11 VAL 68 HG11 VAL 68 36.222 45.274 44.090 559 HG12 VAL 68 HG12 VAL 68 34.965 45.592 45.279 560 HG13 VAL 68 HG13 VAL 68 34.487 45.211 43.629 561 HG21 VAL 68 HG21 VAL 68 35.731 47.691 45.961 562 HG22 VAL 68 HG22 VAL 68 37.088 47.803 44.850 563 HG23 VAL 68 HG23 VAL 68 35.823 49.051 44.822 564 H SER 69 H SER 69 37.615 46.214 41.403 565 HA SER 69 HA SER 69 37.902 44.705 39.866 566 HB2 SER 69 HB2 SER 69 34.983 43.894 39.841 567 HB3 SER 69 HB3 SER 69 36.423 42.964 39.404 568 HG SER 69 HG SER 69 37.070 43.359 41.636 569 H VAL 70 H VAL 70 35.947 47.361 38.928 570 HA VAL 70 HA VAL 70 37.076 46.957 36.215 571 HB VAL 70 HB VAL 70 34.955 46.199 35.829 572 HG11 VAL 70 HG11 VAL 70 33.760 48.603 37.220 573 HG12 VAL 70 HG12 VAL 70 32.867 47.394 36.271 574 HG13 VAL 70 HG13 VAL 70 33.727 46.890 37.724 575 HG21 VAL 70 HG21 VAL 70 34.095 47.588 34.134 576 HG22 VAL 70 HG22 VAL 70 34.905 49.032 34.757 577 HG23 VAL 70 HG23 VAL 70 35.871 47.702 34.106 578 HA PRO 71 HA PRO 71 38.211 51.182 37.879 579 HB2 PRO 71 HB2 PRO 71 40.728 51.290 36.966 580 HB3 PRO 71 HB3 PRO 71 40.277 50.326 38.394 581 HG2 PRO 71 HG2 PRO 71 40.604 49.245 35.554 582 HG3 PRO 71 HG3 PRO 71 41.325 48.612 37.048 583 HD2 PRO 71 HD2 PRO 71 38.987 47.672 35.989 584 HD3 PRO 71 HD3 PRO 71 39.181 47.766 37.782 585 H TYR 72 H TYR 72 37.347 52.841 36.682 586 HA TYR 72 HA TYR 72 36.398 52.267 34.090 587 HB2 TYR 72 HB2 TYR 72 35.363 53.769 35.890 588 HB3 TYR 72 HB3 TYR 72 36.415 55.037 35.297 589 HD1 TYR 72 HD2 TYR 72 33.563 52.813 34.343 590 HD2 TYR 72 HD1 TYR 72 36.073 56.145 33.258 591 HE1 TYR 72 HE2 TYR 72 31.860 53.560 32.693 592 HE2 TYR 72 HE1 TYR 72 34.302 56.983 31.730 593 HH TYR 72 HH TYR 72 32.140 56.632 31.073 594 H ALA 73 H ALA 73 39.202 54.159 35.062 595 HA ALA 73 HA ALA 73 39.718 55.413 32.587 596 HB1 ALA 73 HB1 ALA 73 41.433 54.737 35.021 597 HB2 ALA 73 HB2 ALA 73 42.000 55.726 33.680 598 HB3 ALA 73 HB3 ALA 73 40.593 56.253 34.667 599 H MET 74 H MET 74 40.323 52.065 33.428 600 HA MET 74 HA MET 74 42.513 51.569 31.624 601 HB2 MET 74 HB2 MET 74 41.778 50.076 33.409 602 HB3 MET 74 HB3 MET 74 40.287 49.687 32.544 603 HG2 MET 74 HG2 MET 74 41.452 48.511 30.821 604 HG3 MET 74 HG3 MET 74 42.966 49.282 31.191 605 HE1 MET 74 HE1 MET 74 40.261 46.922 33.443 606 HE2 MET 74 HE2 MET 74 40.509 46.519 31.743 607 HE3 MET 74 HE3 MET 74 41.235 45.497 33.008 608 H ASN 75 H ASN 75 39.245 52.366 31.047 609 HA ASN 75 HA ASN 75 39.584 51.796 28.130 610 HB2 ASN 75 HB2 ASN 75 37.597 50.676 29.065 611 HB3 ASN 75 HB3 ASN 75 37.091 52.160 29.855 612 HD21 ASN 75 HD22 ASN 75 35.574 53.339 28.762 613 HD22 ASN 75 HD21 ASN 75 35.396 53.463 27.056 614 H LEU 76 H LEU 76 38.567 54.254 30.504 615 HA LEU 76 HA LEU 76 37.795 56.144 28.586 616 HB2 LEU 76 HB2 LEU 76 37.330 55.870 31.111 617 HB3 LEU 76 HB3 LEU 76 38.838 56.732 31.342 618 HG LEU 76 HG LEU 76 36.518 57.941 31.478 619 HD11 LEU 76 HD11 LEU 76 38.485 59.207 29.554 620 HD12 LEU 76 HD12 LEU 76 37.118 59.990 30.351 621 HD13 LEU 76 HD13 LEU 76 38.450 59.368 31.344 622 HD21 LEU 76 HD21 LEU 76 35.734 56.807 29.261 623 HD22 LEU 76 HD22 LEU 76 35.245 58.464 29.650 624 HD23 LEU 76 HD23 LEU 76 36.535 58.176 28.473 625 H LEU 77 H LEU 77 40.952 55.716 30.192 626 HA LEU 77 HA LEU 77 42.190 57.781 28.387 627 HB2 LEU 77 HB2 LEU 77 43.214 56.833 31.051 628 HB3 LEU 77 HB3 LEU 77 43.947 58.007 29.932 629 HG LEU 77 HG LEU 77 43.099 59.337 31.553 630 HD11 LEU 77 HD11 LEU 77 40.595 59.314 29.809 631 HD12 LEU 77 HD12 LEU 77 41.288 60.645 30.738 632 HD13 LEU 77 HD13 LEU 77 42.092 60.084 29.268 633 HD21 LEU 77 HD21 LEU 77 40.502 57.781 31.639 634 HD22 LEU 77 HD22 LEU 77 41.813 57.727 32.858 635 HD23 LEU 77 HD23 LEU 77 40.928 59.232 32.576 636 H ASN 78 H ASN 78 43.749 55.199 30.162 637 HA ASN 78 HA ASN 78 45.697 54.086 29.490 638 HB2 ASN 78 HB2 ASN 78 43.592 52.796 29.972 639 HB3 ASN 78 HB3 ASN 78 43.269 52.752 28.225 640 HD21 ASN 78 HD22 ASN 78 45.409 51.582 27.013 641 HD22 ASN 78 HD21 ASN 78 45.493 50.012 27.798 642 H GLY 79 H GLY 79 46.723 55.683 28.016 643 HA2 GLY 79 HA2 GLY 79 48.023 55.050 25.895 644 HA3 GLY 79 HA3 GLY 79 46.431 54.921 25.143 645 H ILE 80 H ILE 80 46.840 57.597 27.403 646 HA ILE 80 HA ILE 80 46.779 59.459 25.058 647 HB ILE 80 HB ILE 80 44.962 60.731 26.088 648 HG12 ILE 80 HG12 ILE 80 43.965 59.357 28.220 649 HG13 ILE 80 HG13 ILE 80 45.747 59.247 28.451 650 HG21 ILE 80 HG21 ILE 80 44.347 57.757 25.978 651 HG22 ILE 80 HG22 ILE 80 43.156 59.072 25.953 652 HG23 ILE 80 HG23 ILE 80 44.343 58.930 24.644 653 HD11 ILE 80 HD11 ILE 80 44.276 61.851 27.876 654 HD12 ILE 80 HD12 ILE 80 44.602 61.290 29.509 655 HD13 ILE 80 HD13 ILE 80 45.957 61.650 28.410 656 H LYS 81 H LYS 81 47.674 61.573 25.405 657 HA LYS 81 HA LYS 81 48.619 62.396 28.010 658 HB2 LYS 81 HB2 LYS 81 51.071 62.530 27.114 659 HB3 LYS 81 HB3 LYS 81 50.398 61.022 27.714 660 HG2 LYS 81 HG2 LYS 81 51.657 60.504 25.778 661 HG3 LYS 81 HG3 LYS 81 49.947 60.254 25.438 662 HD2 LYS 81 HD2 LYS 81 49.904 62.429 24.156 663 HD3 LYS 81 HD3 LYS 81 51.598 62.683 24.583 664 HE2 LYS 81 HE2 LYS 81 52.170 60.544 23.367 665 HE3 LYS 81 HE3 LYS 81 50.477 60.349 22.948 666 HZ1 LYS 81 HZ1 LYS 81 50.641 62.473 21.747 667 HZ2 LYS 81 HZ2 LYS 81 52.204 62.612 22.175 668 HZ3 LYS 81 HZ3 LYS 81 51.703 61.384 21.185 669 H LEU 82 H LEU 82 49.919 64.366 27.900 670 HA LEU 82 HA LEU 82 49.488 65.960 25.469 671 HB2 LEU 82 HB2 LEU 82 48.036 66.674 27.479 672 HB3 LEU 82 HB3 LEU 82 49.504 67.185 28.287 673 HG LEU 82 HG LEU 82 49.921 68.888 26.592 674 HD11 LEU 82 HD11 LEU 82 48.540 67.415 24.675 675 HD12 LEU 82 HD12 LEU 82 47.313 68.561 25.173 676 HD13 LEU 82 HD13 LEU 82 48.905 69.126 24.595 677 HD21 LEU 82 HD21 LEU 82 48.375 69.366 28.478 678 HD22 LEU 82 HD22 LEU 82 47.991 70.330 27.041 679 HD23 LEU 82 HD23 LEU 82 47.000 68.922 27.452 680 H TYR 83 H TYR 83 51.483 65.468 28.348 681 HA TYR 83 HA TYR 83 53.687 67.009 27.556 682 HB2 TYR 83 HB2 TYR 83 53.282 64.681 29.440 683 HB3 TYR 83 HB3 TYR 83 54.821 65.536 29.273 684 HD1 TYR 83 HD1 TYR 83 51.590 67.472 29.383 685 HD2 TYR 83 HD2 TYR 83 54.955 65.855 31.516 686 HE1 TYR 83 HE1 TYR 83 51.126 69.013 31.305 687 HE2 TYR 83 HE2 TYR 83 54.424 67.296 33.479 688 HH TYR 83 HH TYR 83 51.802 69.669 33.380 689 H GLY 84 H GLY 84 53.520 63.313 27.505 690 HA2 GLY 84 HA2 GLY 84 54.990 63.247 25.021 691 HA3 GLY 84 HA3 GLY 84 56.070 63.031 26.400 692 H ARG 85 H ARG 85 54.630 61.466 28.063 693 HA ARG 85 HA ARG 85 54.605 58.778 26.735 694 HB2 ARG 85 HB2 ARG 85 55.159 59.693 29.564 695 HB3 ARG 85 HB3 ARG 85 54.918 58.007 29.145 696 HG2 ARG 85 HG2 ARG 85 57.109 57.898 28.801 697 HG3 ARG 85 HG3 ARG 85 56.697 58.557 27.224 698 HD2 ARG 85 HD2 ARG 85 57.191 60.809 27.968 699 HD3 ARG 85 HD3 ARG 85 57.713 60.230 29.561 700 HE ARG 85 HE ARG 85 59.316 58.688 28.167 701 HH11 ARG 85 HH11 ARG 85 58.543 62.087 27.550 702 HH12 ARG 85 HH12 ARG 85 60.002 62.265 26.581 703 HH21 ARG 85 HH21 ARG 85 61.268 59.189 27.040 704 HH22 ARG 85 HH22 ARG 85 61.365 60.797 26.355 705 HA PRO 86 HA PRO 86 50.205 58.951 27.338 706 HB2 PRO 86 HB2 PRO 86 49.518 56.520 26.299 707 HB3 PRO 86 HB3 PRO 86 50.003 57.910 25.281 708 HG2 PRO 86 HG2 PRO 86 51.808 55.635 26.204 709 HG3 PRO 86 HG3 PRO 86 51.652 56.324 24.543 710 HD2 PRO 86 HD2 PRO 86 53.601 57.044 26.213 711 HD3 PRO 86 HD3 PRO 86 52.791 58.267 25.170 712 H ILE 87 H ILE 87 49.226 58.725 29.250 713 HA ILE 87 HA ILE 87 50.027 57.155 31.426 714 HB ILE 87 HB ILE 87 47.524 58.594 30.623 715 HG12 ILE 87 HG12 ILE 87 49.457 59.720 31.787 716 HG13 ILE 87 HG13 ILE 87 47.876 59.920 32.537 717 HG21 ILE 87 HG21 ILE 87 47.502 56.580 32.890 718 HG22 ILE 87 HG22 ILE 87 46.393 57.971 32.832 719 HG23 ILE 87 HG23 ILE 87 46.357 56.756 31.558 720 HD11 ILE 87 HD11 ILE 87 48.357 58.443 34.313 721 HD12 ILE 87 HD12 ILE 87 49.863 57.856 33.576 722 HD13 ILE 87 HD13 ILE 87 49.754 59.532 34.140 723 H LYS 88 H LYS 88 49.937 55.002 31.819 724 HA LYS 88 HA LYS 88 47.918 53.377 30.383 725 HB2 LYS 88 HB2 LYS 88 50.255 53.057 29.624 726 HB3 LYS 88 HB3 LYS 88 50.729 52.600 31.265 727 HG2 LYS 88 HG2 LYS 88 50.412 50.648 29.754 728 HG3 LYS 88 HG3 LYS 88 49.427 50.608 31.232 729 HD2 LYS 88 HD2 LYS 88 47.442 51.227 29.997 730 HD3 LYS 88 HD3 LYS 88 48.439 51.625 28.573 731 HE2 LYS 88 HE2 LYS 88 48.637 48.802 29.608 732 HE3 LYS 88 HE3 LYS 88 47.086 49.252 28.916 733 HZ1 LYS 88 HZ1 LYS 88 49.695 49.578 27.568 734 HZ2 LYS 88 HZ2 LYS 88 48.619 48.388 27.312 735 HZ3 LYS 88 HZ3 LYS 88 48.212 49.911 26.920 736 H ILE 89 H ILE 89 46.404 52.629 31.658 737 HA ILE 89 HA ILE 89 46.737 52.526 34.636 738 HB ILE 89 HB ILE 89 44.337 51.965 32.895 739 HG12 ILE 89 HG12 ILE 89 43.325 53.898 34.110 740 HG13 ILE 89 HG13 ILE 89 44.928 54.358 34.683 741 HG21 ILE 89 HG21 ILE 89 44.626 52.101 35.950 742 HG22 ILE 89 HG22 ILE 89 43.099 51.890 35.088 743 HG23 ILE 89 HG23 ILE 89 44.331 50.629 35.017 744 HD11 ILE 89 HD11 ILE 89 43.964 55.487 32.539 745 HD12 ILE 89 HD12 ILE 89 45.648 54.877 32.447 746 HD13 ILE 89 HD13 ILE 89 44.301 53.965 31.723 747 H GLN 90 H GLN 90 47.223 50.562 35.595 748 HA GLN 90 HA GLN 90 46.955 48.077 33.947 749 HB2 GLN 90 HB2 GLN 90 49.118 49.036 35.767 750 HB3 GLN 90 HB3 GLN 90 48.960 47.314 35.384 751 HG2 GLN 90 HG2 GLN 90 49.371 47.555 33.143 752 HG3 GLN 90 HG3 GLN 90 48.921 49.239 33.039 753 HE21 GLN 90 HE22 GLN 90 51.196 48.588 31.881 754 HE22 GLN 90 HE21 GLN 90 52.606 49.131 32.774 755 H PHE 91 H PHE 91 46.259 46.111 34.872 756 HA PHE 91 HA PHE 91 45.428 46.037 37.670 757 HB2 PHE 91 HB2 PHE 91 43.617 47.345 36.881 758 HB3 PHE 91 HB3 PHE 91 43.454 46.356 35.438 759 HD1 PHE 91 HD1 PHE 91 42.353 44.310 35.363 760 HD2 PHE 91 HD2 PHE 91 42.462 46.557 39.035 761 HE1 PHE 91 HE1 PHE 91 40.356 43.095 36.150 762 HE2 PHE 91 HE2 PHE 91 40.432 45.342 39.821 763 HZ PHE 91 HZ PHE 91 39.420 43.556 38.394 764 H ARG 92 H ARG 92 44.903 44.048 38.548 765 HA ARG 92 HA ARG 92 44.996 41.484 36.971 766 HB2 ARG 92 HB2 ARG 92 45.525 42.152 39.891 767 HB3 ARG 92 HB3 ARG 92 45.559 40.543 39.221 768 HG2 ARG 92 HG2 ARG 92 47.578 42.801 38.797 769 HG3 ARG 92 HG3 ARG 92 47.806 41.206 39.497 770 HD2 ARG 92 HD2 ARG 92 48.904 41.215 37.453 771 HD3 ARG 92 HD3 ARG 92 47.478 40.157 37.349 772 HE ARG 92 HE ARG 92 46.761 42.745 36.328 773 HH11 ARG 92 HH11 ARG 92 48.808 40.036 35.415 774 HH12 ARG 92 HH12 ARG 92 48.231 40.091 33.758 775 HH21 ARG 92 HH21 ARG 92 46.120 42.713 34.290 776 HH22 ARG 92 HH22 ARG 92 46.830 41.647 33.110 777 H SER 93 H SER 93 43.232 40.256 36.776 778 HA SER 93 HA SER 93 40.700 40.856 38.022 779 HB2 SER 93 HB2 SER 93 39.964 38.695 37.165 780 HB3 SER 93 HB3 SER 93 40.711 39.704 35.896 781 HG SER 93 HG SER 93 42.437 38.396 35.982 782 H GLY 94 H GLY 94 39.532 39.378 39.335 783 HA2 GLY 94 HA2 GLY 94 40.829 37.330 40.978 784 HA3 GLY 94 HA3 GLY 94 40.436 38.799 41.869 785 H SER 95 H SER 95 38.016 38.864 39.721 786 HA SER 95 HA SER 95 36.040 37.508 41.440 787 HB2 SER 95 HB2 SER 95 35.761 39.386 39.089 788 HB3 SER 95 HB3 SER 95 34.443 38.772 40.095 789 HG SER 95 HG SER 95 35.081 40.684 40.841 790 H SER 96 H SER 96 34.607 36.147 40.620 791 HA SER 96 HA SER 96 35.245 34.600 38.142 792 HB2 SER 96 HB2 SER 96 33.950 33.678 40.739 793 HB3 SER 96 HB3 SER 96 34.325 32.694 39.311 794 HG SER 96 HG SER 96 35.932 32.591 40.905 795 H HIS 97 H HIS 97 33.458 33.534 37.143 796 HA HIS 97 HA HIS 97 31.085 35.200 36.805 797 HB2 HIS 97 HB2 HIS 97 32.110 34.185 34.885 798 HB3 HIS 97 HB3 HIS 97 31.941 32.551 35.547 799 HD2 HIS 97 HD2 HIS 97 30.186 31.316 34.126 800 HE1 HIS 97 HE1 HIS 97 27.451 34.472 33.391 801 HE2 HIS 97 HE2 HIS 97 27.886 32.032 33.087 802 H ALA 98 H ALA 98 31.936 32.398 38.591 803 HA ALA 98 HA ALA 98 31.030 31.272 40.266 804 HB1 ALA 98 HB1 ALA 98 29.395 32.208 41.699 805 HB2 ALA 98 HB2 ALA 98 30.414 33.519 41.074 806 HB3 ALA 98 HB3 ALA 98 28.782 33.307 40.457 807 HA PRO 99 HA PRO 99 27.901 28.529 38.518 808 HB2 PRO 99 HB2 PRO 99 28.017 26.487 40.258 809 HB3 PRO 99 HB3 PRO 99 29.511 27.030 39.445 810 HG2 PRO 99 HG2 PRO 99 28.563 27.802 42.219 811 HG3 PRO 99 HG3 PRO 99 30.164 27.161 41.712 812 HD2 PRO 99 HD2 PRO 99 29.543 29.845 41.988 813 HD3 PRO 99 HD3 PRO 99 30.823 29.186 40.910 814 H GLN 100 H GLN 100 25.942 27.118 39.452 815 HA GLN 100 HA GLN 100 24.427 28.421 41.598 816 HB2 GLN 100 HB2 GLN 100 22.445 28.644 40.078 817 HB3 GLN 100 HB3 GLN 100 23.802 29.719 39.687 818 HG2 GLN 100 HG2 GLN 100 24.472 28.390 37.800 819 HG3 GLN 100 HG3 GLN 100 23.315 27.115 38.195 820 HE21 GLN 100 HE22 GLN 100 20.954 27.803 38.187 821 HE22 GLN 100 HE21 GLN 100 20.500 28.792 36.823 822 H ASP 101 H ASP 101 24.652 25.685 39.373 823 HA ASP 101 HA ASP 101 22.893 23.976 41.034 824 HB2 ASP 101 HB2 ASP 101 22.535 24.162 38.614 825 HB3 ASP 101 HB3 ASP 101 24.170 23.607 38.315 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 49.579 27.553 36.498 2 H2 GLY 1 H2 GLY 1 49.948 28.681 35.369 3 H3 GLY 1 H3 GLY 1 49.752 29.117 36.937 4 HA2 GLY 1 HA2 GLY 1 51.634 27.559 37.449 5 HA3 GLY 1 HA3 GLY 1 51.930 27.629 35.695 6 H SER 2 H SER 2 54.086 28.623 36.546 7 HA SER 2 HA SER 2 53.886 31.461 37.416 8 HB2 SER 2 HB2 SER 2 56.350 29.627 37.393 9 HB3 SER 2 HB3 SER 2 56.238 31.323 37.936 10 HG SER 2 HG SER 2 54.879 30.657 39.460 11 H GLU 3 H GLU 3 52.937 31.749 35.165 12 HA GLU 3 HA GLU 3 54.540 31.404 32.878 13 HB2 GLU 3 HB2 GLU 3 52.350 33.475 33.057 14 HB3 GLU 3 HB3 GLU 3 52.953 32.613 31.641 15 HG2 GLU 3 HG2 GLU 3 52.018 30.481 32.557 16 HG3 GLU 3 HG3 GLU 3 51.383 31.387 33.935 17 H PHE 4 H PHE 4 55.663 32.886 31.487 18 HA PHE 4 HA PHE 4 57.269 34.826 32.887 19 HB2 PHE 4 HB2 PHE 4 58.244 33.509 31.181 20 HB3 PHE 4 HB3 PHE 4 57.128 34.010 29.951 21 HD1 PHE 4 HD2 PHE 4 59.784 35.272 32.258 22 HD2 PHE 4 HD1 PHE 4 57.685 36.006 28.554 23 HE1 PHE 4 HE2 PHE 4 61.263 37.191 31.785 24 HE2 PHE 4 HE1 PHE 4 59.217 37.874 28.070 25 HZ PHE 4 HZ PHE 4 60.991 38.494 29.672 26 H GLU 5 H GLU 5 54.416 35.209 30.772 27 HA GLU 5 HA GLU 5 54.811 38.082 30.657 28 HB2 GLU 5 HB2 GLU 5 52.886 38.186 29.254 29 HB3 GLU 5 HB3 GLU 5 54.041 36.953 28.725 30 HG2 GLU 5 HG2 GLU 5 52.625 35.238 29.828 31 HG3 GLU 5 HG3 GLU 5 51.467 36.512 30.237 32 H LEU 6 H LEU 6 54.447 37.250 33.459 33 HA LEU 6 HA LEU 6 51.918 38.639 34.257 34 HB2 LEU 6 HB2 LEU 6 53.413 36.238 35.400 35 HB3 LEU 6 HB3 LEU 6 52.260 37.154 36.357 36 HG LEU 6 HG LEU 6 51.658 35.497 33.891 37 HD11 LEU 6 HD11 LEU 6 50.394 34.113 35.637 38 HD12 LEU 6 HD12 LEU 6 52.167 34.064 35.636 39 HD13 LEU 6 HD13 LEU 6 51.307 34.977 36.874 40 HD21 LEU 6 HD21 LEU 6 50.174 37.456 33.981 41 HD22 LEU 6 HD22 LEU 6 49.266 36.005 34.324 42 HD23 LEU 6 HD23 LEU 6 49.732 37.082 35.661 43 H ARG 7 H ARG 7 51.994 40.108 35.946 44 HA ARG 7 HA ARG 7 54.533 41.115 36.921 45 HB2 ARG 7 HB2 ARG 7 51.668 41.576 37.846 46 HB3 ARG 7 HB3 ARG 7 53.064 42.406 38.506 47 HG2 ARG 7 HG2 ARG 7 52.407 43.985 37.076 48 HG3 ARG 7 HG3 ARG 7 53.536 43.150 36.012 49 HD2 ARG 7 HD2 ARG 7 51.272 41.900 35.232 50 HD3 ARG 7 HD3 ARG 7 50.546 43.268 36.117 51 HE ARG 7 HE ARG 7 52.489 44.169 34.133 52 HH11 ARG 7 HH11 ARG 7 49.042 43.237 34.585 53 HH12 ARG 7 HH12 ARG 7 48.691 43.931 33.005 54 HH21 ARG 7 HH21 ARG 7 51.786 44.692 32.103 55 HH22 ARG 7 HH22 ARG 7 50.070 44.644 31.758 56 H ARG 8 H ARG 8 55.692 39.664 37.764 57 HA ARG 8 HA ARG 8 55.029 38.268 40.337 58 HB2 ARG 8 HB2 ARG 8 56.305 37.054 37.890 59 HB3 ARG 8 HB3 ARG 8 56.286 36.323 39.512 60 HG2 ARG 8 HG2 ARG 8 53.813 36.319 39.494 61 HG3 ARG 8 HG3 ARG 8 53.820 37.006 37.860 62 HD2 ARG 8 HD2 ARG 8 54.814 34.315 38.844 63 HD3 ARG 8 HD3 ARG 8 53.467 34.604 37.745 64 HE ARG 8 HE ARG 8 54.961 34.996 35.924 65 HH11 ARG 8 HH11 ARG 8 56.847 34.367 38.905 66 HH12 ARG 8 HH12 ARG 8 58.240 34.044 37.898 67 HH21 ARG 8 HH21 ARG 8 56.699 34.171 34.914 68 HH22 ARG 8 HH22 ARG 8 58.181 33.912 35.855 69 H GLN 9 H GLN 9 56.974 40.609 39.224 70 HA GLN 9 HA GLN 9 59.576 39.842 40.308 71 HB2 GLN 9 HB2 GLN 9 58.951 41.423 38.353 72 HB3 GLN 9 HB3 GLN 9 58.729 42.636 39.625 73 HG2 GLN 9 HG2 GLN 9 61.224 42.017 40.253 74 HG3 GLN 9 HG3 GLN 9 61.196 41.074 38.758 75 HE21 GLN 9 HE22 GLN 9 60.193 44.473 39.636 76 HE22 GLN 9 HE21 GLN 9 61.117 45.175 38.325 77 H GLN 10 H GLN 10 60.613 40.970 42.038 78 HA GLN 10 HA GLN 10 59.898 40.642 44.531 79 HB2 GLN 10 HB2 GLN 10 61.685 42.284 45.074 80 HB3 GLN 10 HB3 GLN 10 62.092 41.280 43.688 81 HG2 GLN 10 HG2 GLN 10 61.340 43.193 42.170 82 HG3 GLN 10 HG3 GLN 10 61.069 44.161 43.618 83 HE21 GLN 10 HE22 GLN 10 62.996 45.232 44.568 84 HE22 GLN 10 HE21 GLN 10 64.541 44.994 43.727 85 H ALA 11 H ALA 11 58.517 43.496 42.961 86 HA ALA 11 HA ALA 11 57.134 44.227 45.460 87 HB1 ALA 11 HB1 ALA 11 59.050 46.192 44.138 88 HB2 ALA 11 HB2 ALA 11 58.096 46.435 45.616 89 HB3 ALA 11 HB3 ALA 11 59.411 45.259 45.600 90 H LEU 12 H LEU 12 55.580 45.940 45.131 91 HA LEU 12 HA LEU 12 53.822 46.969 44.164 92 HB2 LEU 12 HB2 LEU 12 55.925 47.341 42.011 93 HB3 LEU 12 HB3 LEU 12 54.441 48.285 42.112 94 HG LEU 12 HG LEU 12 56.422 48.103 44.441 95 HD11 LEU 12 HD11 LEU 12 57.235 50.352 43.808 96 HD12 LEU 12 HD12 LEU 12 57.787 49.008 42.823 97 HD13 LEU 12 HD13 LEU 12 56.534 50.110 42.190 98 HD21 LEU 12 HD21 LEU 12 55.291 50.172 45.168 99 HD22 LEU 12 HD22 LEU 12 54.173 50.050 43.773 100 HD23 LEU 12 HD23 LEU 12 54.170 48.826 45.057 101 H ALA 13 H ALA 13 54.481 44.142 43.122 102 HA ALA 13 HA ALA 13 53.350 43.925 40.496 103 HB1 ALA 13 HB1 ALA 13 54.126 41.881 42.629 104 HB2 ALA 13 HB2 ALA 13 53.806 41.489 40.928 105 HB3 ALA 13 HB3 ALA 13 55.209 42.496 41.368 106 H GLU 14 H GLU 14 51.717 44.234 43.338 107 HA GLU 14 HA GLU 14 49.906 41.898 43.041 108 HB2 GLU 14 HB2 GLU 14 51.236 43.386 45.270 109 HB3 GLU 14 HB3 GLU 14 49.889 42.264 45.599 110 HG2 GLU 14 HG2 GLU 14 51.226 40.546 44.198 111 HG3 GLU 14 HG3 GLU 14 52.594 41.644 44.347 112 H ALA 15 H ALA 15 47.965 41.975 44.308 113 HA ALA 15 HA ALA 15 46.070 43.814 43.251 114 HB1 ALA 15 HB1 ALA 15 45.908 41.680 45.414 115 HB2 ALA 15 HB2 ALA 15 44.512 42.433 44.604 116 HB3 ALA 15 HB3 ALA 15 45.646 41.413 43.686 117 H ASP 16 H ASP 16 44.618 45.248 44.500 118 HA ASP 16 HA ASP 16 45.313 46.143 47.181 119 HB2 ASP 16 HB2 ASP 16 47.014 47.230 45.374 120 HB3 ASP 16 HB3 ASP 16 45.636 48.266 45.071 121 H ARG 17 H ARG 17 43.814 48.009 47.913 122 HA ARG 17 HA ARG 17 41.297 48.361 46.450 123 HB2 ARG 17 HB2 ARG 17 42.543 49.691 48.908 124 HB3 ARG 17 HB3 ARG 17 41.083 50.333 48.166 125 HG2 ARG 17 HG2 ARG 17 39.895 48.244 48.526 126 HG3 ARG 17 HG3 ARG 17 41.349 47.517 49.233 127 HD2 ARG 17 HD2 ARG 17 41.286 49.106 51.101 128 HD3 ARG 17 HD3 ARG 17 39.883 49.937 50.412 129 HE ARG 17 HE ARG 17 39.609 47.031 50.892 130 HH11 ARG 17 HH11 ARG 17 38.809 50.264 52.044 131 HH12 ARG 17 HH12 ARG 17 37.791 49.605 53.326 132 HH21 ARG 17 HH21 ARG 17 38.033 46.363 52.280 133 HH22 ARG 17 HH22 ARG 17 37.330 47.484 53.415 134 H THR 18 H THR 18 44.398 49.736 46.059 135 HA THR 18 HA THR 18 43.376 52.198 44.773 136 HB THR 18 HB THR 18 46.212 51.461 45.577 137 HG1 THR 18 HG1 THR 18 44.912 51.354 47.321 138 HG21 THR 18 HG21 THR 18 44.919 54.218 45.542 139 HG22 THR 18 HG22 THR 18 46.606 53.803 45.818 140 HG23 THR 18 HG23 THR 18 45.906 53.601 44.185 141 H LEU 19 H LEU 19 43.796 52.721 42.644 142 HA LEU 19 HA LEU 19 44.027 50.588 40.698 143 HB2 LEU 19 HB2 LEU 19 42.456 52.576 40.506 144 HB3 LEU 19 HB3 LEU 19 43.856 53.633 40.552 145 HG LEU 19 HG LEU 19 44.656 52.784 38.390 146 HD11 LEU 19 HD11 LEU 19 42.483 50.747 38.853 147 HD12 LEU 19 HD12 LEU 19 42.969 51.163 37.188 148 HD13 LEU 19 HD13 LEU 19 44.166 50.523 38.308 149 HD21 LEU 19 HD21 LEU 19 43.004 54.575 38.174 150 HD22 LEU 19 HD22 LEU 19 42.783 53.373 36.903 151 HD23 LEU 19 HD23 LEU 19 41.678 53.392 38.302 152 H PHE 20 H PHE 20 45.962 50.089 39.474 153 HA PHE 20 HA PHE 20 48.322 51.733 40.082 154 HB2 PHE 20 HB2 PHE 20 48.456 49.305 40.172 155 HB3 PHE 20 HB3 PHE 20 48.217 49.151 38.449 156 HD1 PHE 20 HD1 PHE 20 50.279 50.664 37.045 157 HD2 PHE 20 HD2 PHE 20 50.438 49.034 41.042 158 HE1 PHE 20 HE1 PHE 20 52.734 50.992 37.118 159 HE2 PHE 20 HE2 PHE 20 52.866 49.342 41.083 160 HZ PHE 20 HZ PHE 20 54.044 50.285 39.086 161 H VAL 21 H VAL 21 49.331 53.118 38.740 162 HA VAL 21 HA VAL 21 48.486 53.252 35.895 163 HB VAL 21 HB VAL 21 49.008 55.777 37.538 164 HG11 VAL 21 HG11 VAL 21 47.644 55.225 34.883 165 HG12 VAL 21 HG12 VAL 21 48.012 56.831 35.588 166 HG13 VAL 21 HG13 VAL 21 49.321 55.788 35.020 167 HG21 VAL 21 HG21 VAL 21 46.960 54.754 38.444 168 HG22 VAL 21 HG22 VAL 21 46.522 56.121 37.416 169 HG23 VAL 21 HG23 VAL 21 46.359 54.456 36.804 170 H GLY 22 H GLY 22 50.211 52.724 34.741 171 HA2 GLY 22 HA2 GLY 22 52.939 53.651 35.572 172 HA3 GLY 22 HA3 GLY 22 52.675 52.132 34.780 173 H ASN 23 H ASN 23 54.333 53.576 33.459 174 HA ASN 23 HA ASN 23 54.899 54.453 31.481 175 HB2 ASN 23 HB2 ASN 23 52.873 52.921 30.761 176 HB3 ASN 23 HB3 ASN 23 52.083 54.475 30.440 177 HD21 ASN 23 HD21 ASN 23 52.071 54.595 28.222 178 HD22 ASN 23 HD22 ASN 23 53.441 54.276 27.171 179 H LEU 24 H LEU 24 54.465 56.013 33.604 180 HA LEU 24 HA LEU 24 53.034 58.496 33.077 181 HB2 LEU 24 HB2 LEU 24 55.144 57.577 35.048 182 HB3 LEU 24 HB3 LEU 24 54.565 59.220 34.972 183 HG LEU 24 HG LEU 24 53.677 57.485 36.730 184 HD11 LEU 24 HD11 LEU 24 51.761 59.310 35.311 185 HD12 LEU 24 HD12 LEU 24 51.401 58.422 36.817 186 HD13 LEU 24 HD13 LEU 24 52.711 59.574 36.828 187 HD21 LEU 24 HD21 LEU 24 53.024 55.748 35.090 188 HD22 LEU 24 HD22 LEU 24 51.701 56.241 36.188 189 HD23 LEU 24 HD23 LEU 24 51.710 56.767 34.496 190 H GLU 25 H GLU 25 53.935 60.492 32.553 191 HA GLU 25 HA GLU 25 56.398 60.448 31.078 192 HB2 GLU 25 HB2 GLU 25 54.174 62.121 31.354 193 HB3 GLU 25 HB3 GLU 25 55.462 63.097 32.037 194 HG2 GLU 25 HG2 GLU 25 55.876 61.718 29.375 195 HG3 GLU 25 HG3 GLU 25 55.023 63.240 29.440 196 H THR 26 H THR 26 58.047 62.079 31.500 197 HA THR 26 HA THR 26 59.446 61.362 33.944 198 HB THR 26 HB THR 26 61.363 62.310 32.826 199 HG1 THR 26 HG1 THR 26 59.569 63.296 30.914 200 HG21 THR 26 HG21 THR 26 59.720 61.092 30.522 201 HG22 THR 26 HG22 THR 26 61.435 60.860 30.865 202 HG23 THR 26 HG23 THR 26 60.189 60.104 31.885 203 H LYS 27 H LYS 27 57.540 63.925 32.977 204 HA LYS 27 HA LYS 27 58.261 65.606 35.334 205 HB2 LYS 27 HB2 LYS 27 57.234 66.425 32.576 206 HB3 LYS 27 HB3 LYS 27 57.371 67.518 33.945 207 HG2 LYS 27 HG2 LYS 27 59.690 66.012 32.625 208 HG3 LYS 27 HG3 LYS 27 59.297 67.697 32.371 209 HD2 LYS 27 HD2 LYS 27 60.182 66.436 35.005 210 HD3 LYS 27 HD3 LYS 27 61.193 67.343 33.875 211 HE2 LYS 27 HE2 LYS 27 59.556 69.308 34.229 212 HE3 LYS 27 HE3 LYS 27 58.943 68.413 35.617 213 HZ1 LYS 27 HZ1 LYS 27 61.813 68.970 35.236 214 HZ2 LYS 27 HZ2 LYS 27 60.810 70.039 35.970 215 HZ3 LYS 27 HZ3 LYS 27 61.098 68.559 36.595 216 H VAL 28 H VAL 28 56.297 63.277 35.130 217 HA VAL 28 HA VAL 28 53.674 64.438 35.242 218 HB VAL 28 HB VAL 28 54.246 62.127 34.532 219 HG11 VAL 28 HG11 VAL 28 55.920 61.492 36.168 220 HG12 VAL 28 HG12 VAL 28 54.837 61.810 37.526 221 HG13 VAL 28 HG13 VAL 28 54.567 60.408 36.540 222 HG21 VAL 28 HG21 VAL 28 51.940 62.981 35.516 223 HG22 VAL 28 HG22 VAL 28 52.219 61.306 35.082 224 HG23 VAL 28 HG23 VAL 28 52.336 61.828 36.803 225 H THR 29 H THR 29 52.157 64.200 37.106 226 HA THR 29 HA THR 29 53.265 64.476 39.802 227 HB THR 29 HB THR 29 52.117 66.763 40.045 228 HG1 THR 29 HG1 THR 29 52.572 67.501 37.543 229 HG21 THR 29 HG21 THR 29 54.565 66.996 38.305 230 HG22 THR 29 HG22 THR 29 54.141 67.778 39.872 231 HG23 THR 29 HG23 THR 29 54.656 66.102 39.817 232 H GLU 30 H GLU 30 51.566 65.053 41.367 233 HA GLU 30 HA GLU 30 49.436 63.198 41.086 234 HB2 GLU 30 HB2 GLU 30 49.911 65.428 43.122 235 HB3 GLU 30 HB3 GLU 30 48.752 64.093 43.313 236 HG2 GLU 30 HG2 GLU 30 50.785 62.535 43.120 237 HG3 GLU 30 HG3 GLU 30 51.769 63.943 43.437 238 H GLU 31 H GLU 31 49.769 66.669 40.536 239 HA GLU 31 HA GLU 31 47.036 67.435 40.107 240 HB2 GLU 31 HB2 GLU 31 49.739 68.446 39.093 241 HB3 GLU 31 HB3 GLU 31 48.238 69.217 38.614 242 HG2 GLU 31 HG2 GLU 31 47.617 69.574 40.955 243 HG3 GLU 31 HG3 GLU 31 49.101 68.811 41.490 244 H LEU 32 H LEU 32 49.567 66.281 37.863 245 HA LEU 32 HA LEU 32 47.968 66.683 35.526 246 HB2 LEU 32 HB2 LEU 32 50.490 66.542 35.457 247 HB3 LEU 32 HB3 LEU 32 50.385 64.831 35.861 248 HG LEU 32 HG LEU 32 49.252 64.305 33.794 249 HD11 LEU 32 HD11 LEU 32 49.597 67.238 32.998 250 HD12 LEU 32 HD12 LEU 32 48.934 65.946 31.984 251 HD13 LEU 32 HD13 LEU 32 48.018 66.525 33.378 252 HD21 LEU 32 HD21 LEU 32 51.783 64.573 33.976 253 HD22 LEU 32 HD22 LEU 32 51.109 64.697 32.331 254 HD23 LEU 32 HD23 LEU 32 51.551 66.172 33.246 255 H LEU 33 H LEU 33 48.526 63.903 37.599 256 HA LEU 33 HA LEU 33 46.918 61.953 36.203 257 HB2 LEU 33 HB2 LEU 33 47.802 62.408 39.047 258 HB3 LEU 33 HB3 LEU 33 46.923 60.953 38.587 259 HG LEU 33 HG LEU 33 49.667 61.863 37.589 260 HD11 LEU 33 HD11 LEU 33 48.984 59.627 39.527 261 HD12 LEU 33 HD12 LEU 33 50.609 60.009 38.931 262 HD13 LEU 33 HD13 LEU 33 49.755 61.197 39.907 263 HD21 LEU 33 HD21 LEU 33 48.157 60.128 36.102 264 HD22 LEU 33 HD22 LEU 33 49.904 60.327 36.121 265 HD23 LEU 33 HD23 LEU 33 49.177 59.041 37.090 266 H PHE 34 H PHE 34 46.156 64.076 39.006 267 HA PHE 34 HA PHE 34 43.449 63.501 39.401 268 HB2 PHE 34 HB2 PHE 34 45.062 64.882 40.815 269 HB3 PHE 34 HB3 PHE 34 44.693 66.246 39.766 270 HD1 PHE 34 HD2 PHE 34 43.394 63.829 42.308 271 HD2 PHE 34 HD1 PHE 34 42.698 67.510 40.149 272 HE1 PHE 34 HE2 PHE 34 41.533 64.343 43.797 273 HE2 PHE 34 HE1 PHE 34 40.813 68.026 41.682 274 HZ PHE 34 HZ PHE 34 40.224 66.436 43.505 275 H GLU 35 H GLU 35 44.716 65.993 37.093 276 HA GLU 35 HA GLU 35 42.049 66.618 36.135 277 HB2 GLU 35 HB2 GLU 35 43.023 68.065 34.627 278 HB3 GLU 35 HB3 GLU 35 43.941 68.190 36.150 279 HG2 GLU 35 HG2 GLU 35 45.847 67.267 35.260 280 HG3 GLU 35 HG3 GLU 35 45.047 66.623 33.816 281 H LEU 36 H LEU 36 44.411 64.232 35.144 282 HA LEU 36 HA LEU 36 43.062 63.631 32.644 283 HB2 LEU 36 HB2 LEU 36 45.379 63.284 32.763 284 HB3 LEU 36 HB3 LEU 36 45.281 62.301 34.224 285 HG LEU 36 HG LEU 36 43.749 61.294 31.841 286 HD11 LEU 36 HD11 LEU 36 46.764 61.310 32.125 287 HD12 LEU 36 HD12 LEU 36 45.853 60.168 31.081 288 HD13 LEU 36 HD13 LEU 36 45.801 61.925 30.760 289 HD21 LEU 36 HD21 LEU 36 43.939 60.004 34.056 290 HD22 LEU 36 HD22 LEU 36 44.691 59.134 32.697 291 HD23 LEU 36 HD23 LEU 36 45.693 60.044 33.850 292 H PHE 37 H PHE 37 42.958 62.221 35.945 293 HA PHE 37 HA PHE 37 40.943 60.247 35.149 294 HB2 PHE 37 HB2 PHE 37 42.126 60.918 37.851 295 HB3 PHE 37 HB3 PHE 37 40.970 59.604 37.529 296 HD1 PHE 37 HD2 PHE 37 41.687 58.053 35.458 297 HD2 PHE 37 HD1 PHE 37 44.359 60.284 37.994 298 HE1 PHE 37 HE2 PHE 37 43.603 56.663 34.677 299 HE2 PHE 37 HE1 PHE 37 46.272 58.965 37.148 300 HZ PHE 37 HZ PHE 37 45.896 57.200 35.413 301 H HIS 38 H HIS 38 40.433 63.311 35.122 302 HA HIS 38 HA HIS 38 38.444 63.914 37.087 303 HB2 HIS 38 HB2 HIS 38 39.717 65.599 36.026 304 HB3 HIS 38 HB3 HIS 38 39.162 65.164 34.412 305 HD2 HIS 38 HD2 HIS 38 38.761 67.843 36.598 306 HE1 HIS 38 HE1 HIS 38 34.808 67.431 35.058 307 HE2 HIS 38 HE2 HIS 38 36.394 68.981 36.311 308 H GLN 39 H GLN 39 37.970 62.772 33.711 309 HA GLN 39 HA GLN 39 35.117 62.236 34.258 310 HB2 GLN 39 HB2 GLN 39 36.695 61.826 31.691 311 HB3 GLN 39 HB3 GLN 39 34.997 61.512 31.909 312 HG2 GLN 39 HG2 GLN 39 36.290 64.236 31.978 313 HG3 GLN 39 HG3 GLN 39 35.303 63.507 30.696 314 HE21 GLN 39 HE22 GLN 39 35.145 64.995 33.929 315 HE22 GLN 39 HE21 GLN 39 33.393 65.098 33.957 316 H ALA 40 H ALA 40 37.914 60.663 35.138 317 HA ALA 40 HA ALA 40 36.889 58.021 34.317 318 HB1 ALA 40 HB1 ALA 40 39.411 58.486 35.901 319 HB2 ALA 40 HB2 ALA 40 38.815 57.021 35.083 320 HB3 ALA 40 HB3 ALA 40 39.256 58.437 34.115 321 H GLY 41 H GLY 41 35.976 60.159 36.504 322 HA2 GLY 41 HA2 GLY 41 34.064 59.634 37.913 323 HA3 GLY 41 HA3 GLY 41 34.884 58.186 38.464 324 HA PRO 42 HA PRO 42 35.669 61.758 41.247 325 HB2 PRO 42 HB2 PRO 42 34.648 60.865 43.629 326 HB3 PRO 42 HB3 PRO 42 33.637 61.553 42.335 327 HG2 PRO 42 HG2 PRO 42 34.094 58.636 42.968 328 HG3 PRO 42 HG3 PRO 42 32.574 59.449 42.470 329 HD2 PRO 42 HD2 PRO 42 34.180 58.047 40.723 330 HD3 PRO 42 HD3 PRO 42 33.147 59.440 40.234 331 H VAL 43 H VAL 43 37.886 61.539 41.160 332 HA VAL 43 HA VAL 43 39.411 59.472 42.445 333 HB VAL 43 HB VAL 43 40.167 62.271 41.550 334 HG11 VAL 43 HG11 VAL 43 41.961 59.869 42.084 335 HG12 VAL 43 HG12 VAL 43 42.445 61.503 41.544 336 HG13 VAL 43 HG13 VAL 43 41.813 61.259 43.186 337 HG21 VAL 43 HG21 VAL 43 39.411 60.938 39.680 338 HG22 VAL 43 HG22 VAL 43 41.189 61.098 39.662 339 HG23 VAL 43 HG23 VAL 43 40.438 59.566 40.205 340 H ILE 44 H ILE 44 39.719 59.127 44.470 341 HA ILE 44 HA ILE 44 38.832 61.041 46.524 342 HB ILE 44 HB ILE 44 39.902 58.202 46.676 343 HG12 ILE 44 HG12 ILE 44 37.859 58.251 45.385 344 HG13 ILE 44 HG13 ILE 44 37.576 57.464 46.906 345 HG21 ILE 44 HG21 ILE 44 38.480 59.734 48.909 346 HG22 ILE 44 HG22 ILE 44 39.061 58.063 48.918 347 HG23 ILE 44 HG23 ILE 44 40.216 59.393 48.823 348 HD11 ILE 44 HD11 ILE 44 36.862 60.368 46.251 349 HD12 ILE 44 HD12 ILE 44 35.712 59.033 46.232 350 HD13 ILE 44 HD13 ILE 44 36.460 59.526 47.769 351 H LYS 45 H LYS 45 41.859 59.513 45.497 352 HA LYS 45 HA LYS 45 43.384 61.861 46.156 353 HB2 LYS 45 HB2 LYS 45 44.787 61.002 47.930 354 HB3 LYS 45 HB3 LYS 45 43.140 60.770 48.369 355 HG2 LYS 45 HG2 LYS 45 44.028 58.374 46.935 356 HG3 LYS 45 HG3 LYS 45 45.279 58.823 48.061 357 HD2 LYS 45 HD2 LYS 45 42.490 57.842 48.562 358 HD3 LYS 45 HD3 LYS 45 44.013 57.374 49.317 359 HE2 LYS 45 HE2 LYS 45 43.915 59.820 50.350 360 HE3 LYS 45 HE3 LYS 45 42.211 59.727 49.865 361 HZ1 LYS 45 HZ1 LYS 45 43.476 57.655 51.514 362 HZ2 LYS 45 HZ2 LYS 45 42.673 58.941 52.169 363 HZ3 LYS 45 HZ3 LYS 45 41.913 57.868 51.216 364 H VAL 46 H VAL 46 45.516 61.768 45.259 365 HA VAL 46 HA VAL 46 46.079 59.498 43.394 366 HB VAL 46 HB VAL 46 46.718 62.448 43.124 367 HG11 VAL 46 HG11 VAL 46 48.767 61.409 42.498 368 HG12 VAL 46 HG12 VAL 46 47.945 60.092 41.650 369 HG13 VAL 46 HG13 VAL 46 47.902 61.747 40.993 370 HG21 VAL 46 HG21 VAL 46 44.539 61.787 42.127 371 HG22 VAL 46 HG22 VAL 46 45.693 62.079 40.826 372 HG23 VAL 46 HG23 VAL 46 45.332 60.417 41.296 373 H LYS 47 H LYS 47 48.260 58.787 43.386 374 HA LYS 47 HA LYS 47 50.106 59.986 45.367 375 HB2 LYS 47 HB2 LYS 47 49.448 57.914 46.385 376 HB3 LYS 47 HB3 LYS 47 49.342 57.097 44.833 377 HG2 LYS 47 HG2 LYS 47 51.225 56.190 46.010 378 HG3 LYS 47 HG3 LYS 47 51.845 57.107 44.651 379 HD2 LYS 47 HD2 LYS 47 52.253 59.044 46.293 380 HD3 LYS 47 HD3 LYS 47 51.739 57.922 47.574 381 HE2 LYS 47 HE2 LYS 47 53.443 56.275 46.746 382 HE3 LYS 47 HE3 LYS 47 54.078 57.503 45.652 383 HZ1 LYS 47 HZ1 LYS 47 54.493 58.866 47.694 384 HZ2 LYS 47 HZ2 LYS 47 53.978 57.616 48.608 385 HZ3 LYS 47 HZ3 LYS 47 55.334 57.513 47.696 386 H ILE 48 H ILE 48 51.816 60.768 44.570 387 HA ILE 48 HA ILE 48 53.026 59.445 42.217 388 HB ILE 48 HB ILE 48 53.068 62.258 43.139 389 HG12 ILE 48 HG12 ILE 48 51.698 61.078 41.209 390 HG13 ILE 48 HG13 ILE 48 52.414 62.674 40.950 391 HG21 ILE 48 HG21 ILE 48 55.419 61.110 41.654 392 HG22 ILE 48 HG22 ILE 48 54.964 62.825 41.721 393 HG23 ILE 48 HG23 ILE 48 55.381 61.972 43.216 394 HD11 ILE 48 HD11 ILE 48 54.145 61.758 39.575 395 HD12 ILE 48 HD12 ILE 48 53.718 60.082 40.031 396 HD13 ILE 48 HD13 ILE 48 52.618 61.048 39.032 397 HA PRO 49 HA PRO 49 56.198 57.989 45.121 398 HB2 PRO 49 HB2 PRO 49 57.509 56.420 43.264 399 HB3 PRO 49 HB3 PRO 49 56.012 55.923 44.116 400 HG2 PRO 49 HG2 PRO 49 56.334 57.107 41.334 401 HG3 PRO 49 HG3 PRO 49 55.329 55.704 41.832 402 HD2 PRO 49 HD2 PRO 49 54.429 58.274 41.471 403 HD3 PRO 49 HD3 PRO 49 53.650 57.157 42.632 404 H LYS 50 H LYS 50 58.587 58.142 44.942 405 HA LYS 50 HA LYS 50 59.930 59.650 42.968 406 HB2 LYS 50 HB2 LYS 50 59.250 61.109 45.550 407 HB3 LYS 50 HB3 LYS 50 60.775 61.403 44.704 408 HG2 LYS 50 HG2 LYS 50 59.175 61.611 42.578 409 HG3 LYS 50 HG3 LYS 50 57.968 61.948 43.797 410 HD2 LYS 50 HD2 LYS 50 59.336 63.835 44.672 411 HD3 LYS 50 HD3 LYS 50 60.512 63.601 43.354 412 HE2 LYS 50 HE2 LYS 50 58.594 63.611 41.723 413 HE3 LYS 50 HE3 LYS 50 57.515 63.959 43.071 414 HZ1 LYS 50 HZ1 LYS 50 59.643 65.756 42.073 415 HZ2 LYS 50 HZ2 LYS 50 58.042 65.950 41.922 416 HZ3 LYS 50 HZ3 LYS 50 58.699 66.043 43.396 417 H ASP 51 H ASP 51 61.569 58.485 42.865 418 HA ASP 51 HA ASP 51 62.886 57.012 44.968 419 HB2 ASP 51 HB2 ASP 51 63.034 57.205 42.168 420 HB3 ASP 51 HB3 ASP 51 64.546 57.928 42.662 421 H LYS 52 H LYS 52 65.289 57.476 45.430 422 HA LYS 52 HA LYS 52 65.342 59.775 47.101 423 HB2 LYS 52 HB2 LYS 52 67.804 59.378 47.318 424 HB3 LYS 52 HB3 LYS 52 66.866 57.939 47.584 425 HG2 LYS 52 HG2 LYS 52 68.301 56.945 46.161 426 HG3 LYS 52 HG3 LYS 52 67.405 57.726 44.856 427 HD2 LYS 52 HD2 LYS 52 68.961 59.634 44.877 428 HD3 LYS 52 HD3 LYS 52 69.818 58.931 46.267 429 HE2 LYS 52 HE2 LYS 52 70.282 56.884 44.914 430 HE3 LYS 52 HE3 LYS 52 69.500 57.618 43.530 431 HZ1 LYS 52 HZ1 LYS 52 71.869 58.913 44.798 432 HZ2 LYS 52 HZ2 LYS 52 71.972 57.761 43.688 433 HZ3 LYS 52 HZ3 LYS 52 71.259 59.125 43.289 434 H ASP 53 H ASP 53 66.190 59.318 43.849 435 HA ASP 53 HA ASP 53 67.495 61.896 43.384 436 HB2 ASP 53 HB2 ASP 53 68.118 59.723 42.223 437 HB3 ASP 53 HB3 ASP 53 66.596 59.748 41.392 438 H GLY 54 H GLY 54 64.328 61.104 43.834 439 HA2 GLY 54 HA2 GLY 54 62.594 62.527 43.991 440 HA3 GLY 54 HA3 GLY 54 63.479 63.768 43.125 441 H LYS 55 H LYS 55 62.595 60.430 42.067 442 HA LYS 55 HA LYS 55 60.852 61.604 39.961 443 HB2 LYS 55 HB2 LYS 55 63.180 61.166 39.209 444 HB3 LYS 55 HB3 LYS 55 62.963 59.445 39.569 445 HG2 LYS 55 HG2 LYS 55 62.568 59.575 37.193 446 HG3 LYS 55 HG3 LYS 55 60.968 59.545 37.847 447 HD2 LYS 55 HD2 LYS 55 60.873 61.422 36.395 448 HD3 LYS 55 HD3 LYS 55 61.164 62.171 37.952 449 HE2 LYS 55 HE2 LYS 55 63.678 62.108 37.415 450 HE3 LYS 55 HE3 LYS 55 63.205 61.662 35.769 451 HZ1 LYS 55 HZ1 LYS 55 63.142 64.172 37.058 452 HZ2 LYS 55 HZ2 LYS 55 62.810 63.843 35.464 453 HZ3 LYS 55 HZ3 LYS 55 61.657 63.817 36.595 454 HA PRO 56 HA PRO 56 58.018 58.470 41.125 455 HB2 PRO 56 HB2 PRO 56 56.207 58.650 38.977 456 HB3 PRO 56 HB3 PRO 56 56.274 59.838 40.316 457 HG2 PRO 56 HG2 PRO 56 57.567 59.845 37.594 458 HG3 PRO 56 HG3 PRO 56 56.741 61.230 38.402 459 HD2 PRO 56 HD2 PRO 56 59.413 61.079 38.352 460 HD3 PRO 56 HD3 PRO 56 58.572 61.617 39.833 461 H LYS 57 H LYS 57 60.253 57.710 39.089 462 HA LYS 57 HA LYS 57 60.897 55.750 38.039 463 HB2 LYS 57 HB2 LYS 57 58.753 54.499 39.755 464 HB3 LYS 57 HB3 LYS 57 60.112 53.683 38.994 465 HG2 LYS 57 HG2 LYS 57 60.824 53.714 41.134 466 HG3 LYS 57 HG3 LYS 57 61.547 55.250 40.665 467 HD2 LYS 57 HD2 LYS 57 59.440 56.383 41.591 468 HD3 LYS 57 HD3 LYS 57 58.926 54.785 42.178 469 HE2 LYS 57 HE2 LYS 57 61.582 56.002 42.927 470 HE3 LYS 57 HE3 LYS 57 60.076 56.438 43.746 471 HZ1 LYS 57 HZ1 LYS 57 61.133 53.699 43.552 472 HZ2 LYS 57 HZ2 LYS 57 61.305 54.632 44.817 473 HZ3 LYS 57 HZ3 LYS 57 59.803 54.135 44.416 474 H GLN 58 H GLN 58 58.695 57.292 36.658 475 HA GLN 58 HA GLN 58 57.120 57.176 35.146 476 HB2 GLN 58 HB2 GLN 58 58.880 54.875 34.332 477 HB3 GLN 58 HB3 GLN 58 57.412 55.298 33.422 478 HG2 GLN 58 HG2 GLN 58 58.326 57.709 33.435 479 HG3 GLN 58 HG3 GLN 58 59.856 57.051 34.018 480 HE21 GLN 58 HE21 GLN 58 57.858 57.647 31.288 481 HE22 GLN 58 HE22 GLN 58 58.979 56.952 30.115 482 H PHE 59 H PHE 59 56.125 56.317 37.556 483 HA PHE 59 HA PHE 59 53.713 54.888 36.809 484 HB2 PHE 59 HB2 PHE 59 53.853 52.967 37.911 485 HB3 PHE 59 HB3 PHE 59 55.500 53.186 37.392 486 HD1 PHE 59 HD1 PHE 59 53.205 53.221 40.397 487 HD2 PHE 59 HD2 PHE 59 57.268 53.165 38.972 488 HE1 PHE 59 HE1 PHE 59 54.008 52.909 42.708 489 HE2 PHE 59 HE2 PHE 59 58.066 52.811 41.309 490 HZ PHE 59 HZ PHE 59 56.439 52.765 43.181 491 H ALA 60 H ALA 60 52.229 54.670 38.754 492 HA ALA 60 HA ALA 60 52.391 56.429 41.032 493 HB1 ALA 60 HB1 ALA 60 50.395 57.814 40.267 494 HB2 ALA 60 HB2 ALA 60 51.951 58.187 39.550 495 HB3 ALA 60 HB3 ALA 60 50.741 57.235 38.622 496 H PHE 61 H PHE 61 50.158 56.566 42.072 497 HA PHE 61 HA PHE 61 48.247 54.322 41.516 498 HB2 PHE 61 HB2 PHE 61 49.603 54.991 44.123 499 HB3 PHE 61 HB3 PHE 61 47.938 54.478 44.138 500 HD1 PHE 61 HD1 PHE 61 47.319 52.182 43.154 501 HD2 PHE 61 HD2 PHE 61 51.413 53.429 43.733 502 HE1 PHE 61 HE1 PHE 61 48.059 49.846 42.941 503 HE2 PHE 61 HE2 PHE 61 52.132 51.061 43.664 504 HZ PHE 61 HZ PHE 61 50.462 49.263 43.235 505 H VAL 62 H VAL 62 46.045 54.701 42.111 506 HA VAL 62 HA VAL 62 45.163 57.467 42.721 507 HB VAL 62 HB VAL 62 43.987 55.950 40.319 508 HG11 VAL 62 HG11 VAL 62 43.842 58.797 41.374 509 HG12 VAL 62 HG12 VAL 62 43.215 58.334 39.788 510 HG13 VAL 62 HG13 VAL 62 42.501 57.618 41.238 511 HG21 VAL 62 HG21 VAL 62 46.358 56.544 39.790 512 HG22 VAL 62 HG22 VAL 62 45.114 57.330 38.812 513 HG23 VAL 62 HG23 VAL 62 45.937 58.244 40.125 514 H ASN 63 H ASN 63 43.262 57.493 43.891 515 HA ASN 63 HA ASN 63 42.255 54.775 44.638 516 HB2 ASN 63 HB2 ASN 63 43.205 56.194 46.487 517 HB3 ASN 63 HB3 ASN 63 41.854 57.298 46.264 518 HD21 ASN 63 HD22 ASN 63 42.692 54.057 47.509 519 HD22 ASN 63 HD21 ASN 63 41.024 53.699 47.985 520 H PHE 64 H PHE 64 40.338 54.106 44.169 521 HA PHE 64 HA PHE 64 38.123 56.015 44.137 522 HB2 PHE 64 HB2 PHE 64 38.351 53.591 42.313 523 HB3 PHE 64 HB3 PHE 64 36.919 54.589 42.476 524 HD1 PHE 64 HD2 PHE 64 36.916 56.977 41.623 525 HD2 PHE 64 HD1 PHE 64 40.218 54.286 41.016 526 HE1 PHE 64 HE2 PHE 64 37.749 58.404 39.740 527 HE2 PHE 64 HE1 PHE 64 40.958 55.647 39.048 528 HZ PHE 64 HZ PHE 64 39.628 57.638 38.364 529 H LYS 65 H LYS 65 36.134 55.050 45.042 530 HA LYS 65 HA LYS 65 36.747 52.987 47.097 531 HB2 LYS 65 HB2 LYS 65 36.119 55.193 47.851 532 HB3 LYS 65 HB3 LYS 65 34.644 55.158 46.870 533 HG2 LYS 65 HG2 LYS 65 33.919 53.165 48.298 534 HG3 LYS 65 HG3 LYS 65 35.312 53.597 49.367 535 HD2 LYS 65 HD2 LYS 65 34.353 55.787 49.717 536 HD3 LYS 65 HD3 LYS 65 33.008 55.393 48.614 537 HE2 LYS 65 HE2 LYS 65 32.150 53.707 50.075 538 HE3 LYS 65 HE3 LYS 65 33.580 53.731 51.107 539 HZ1 LYS 65 HZ1 LYS 65 31.632 55.919 50.809 540 HZ2 LYS 65 HZ2 LYS 65 31.851 54.986 52.104 541 HZ3 LYS 65 HZ3 LYS 65 33.010 56.040 51.669 542 H HIS 66 H HIS 66 35.077 51.511 47.735 543 HA HIS 66 HA HIS 66 34.195 49.473 47.128 544 HB2 HIS 66 HB2 HIS 66 32.636 51.060 48.109 545 HB3 HIS 66 HB3 HIS 66 32.105 51.593 46.502 546 HD2 HIS 66 HD2 HIS 66 32.515 48.045 48.043 547 HE1 HIS 66 HE1 HIS 66 28.403 48.480 47.075 548 HE2 HIS 66 HE2 HIS 66 30.147 46.911 47.984 549 H GLU 67 H GLU 67 35.780 49.380 45.401 550 HA GLU 67 HA GLU 67 34.813 49.582 42.634 551 HB2 GLU 67 HB2 GLU 67 37.552 49.136 43.841 552 HB3 GLU 67 HB3 GLU 67 37.228 49.024 42.116 553 HG2 GLU 67 HG2 GLU 67 36.606 51.475 43.809 554 HG3 GLU 67 HG3 GLU 67 38.085 51.254 42.884 555 H VAL 68 H VAL 68 34.763 48.021 41.262 556 HA VAL 68 HA VAL 68 34.966 45.169 42.091 557 HB VAL 68 HB VAL 68 33.145 44.689 40.611 558 HG11 VAL 68 HG11 VAL 68 32.242 46.932 42.484 559 HG12 VAL 68 HG12 VAL 68 31.319 45.531 41.936 560 HG13 VAL 68 HG13 VAL 68 32.694 45.319 43.042 561 HG21 VAL 68 HG21 VAL 68 31.640 46.580 39.786 562 HG22 VAL 68 HG22 VAL 68 32.959 47.704 40.098 563 HG23 VAL 68 HG23 VAL 68 33.154 46.404 38.902 564 H SER 69 H SER 69 34.779 44.050 39.558 565 HA SER 69 HA SER 69 37.532 44.295 38.686 566 HB2 SER 69 HB2 SER 69 36.499 42.780 36.810 567 HB3 SER 69 HB3 SER 69 36.792 42.165 38.456 568 HG SER 69 HG SER 69 34.680 41.836 37.375 569 H VAL 70 H VAL 70 38.362 45.073 36.826 570 HA VAL 70 HA VAL 70 38.761 46.392 35.128 571 HB VAL 70 HB VAL 70 35.791 46.366 34.532 572 HG11 VAL 70 HG11 VAL 70 38.270 47.097 32.928 573 HG12 VAL 70 HG12 VAL 70 36.626 46.915 32.251 574 HG13 VAL 70 HG13 VAL 70 36.971 48.213 33.418 575 HG21 VAL 70 HG21 VAL 70 36.827 44.089 34.505 576 HG22 VAL 70 HG22 VAL 70 36.337 44.659 32.908 577 HG23 VAL 70 HG23 VAL 70 38.048 44.705 33.350 578 HA PRO 71 HA PRO 71 38.249 50.478 37.055 579 HB2 PRO 71 HB2 PRO 71 40.856 50.991 35.653 580 HB3 PRO 71 HB3 PRO 71 40.374 51.324 37.325 581 HG2 PRO 71 HG2 PRO 71 41.973 49.178 36.704 582 HG3 PRO 71 HG3 PRO 71 40.683 49.015 37.949 583 HD2 PRO 71 HD2 PRO 71 40.621 48.228 35.043 584 HD3 PRO 71 HD3 PRO 71 40.141 47.282 36.495 585 H TYR 72 H TYR 72 37.387 52.355 36.290 586 HA TYR 72 HA TYR 72 36.179 52.331 33.753 587 HB2 TYR 72 HB2 TYR 72 35.449 53.417 35.905 588 HB3 TYR 72 HB3 TYR 72 36.549 54.744 35.574 589 HD1 TYR 72 HD2 TYR 72 33.440 53.039 34.717 590 HD2 TYR 72 HD1 TYR 72 36.034 56.314 33.634 591 HE1 TYR 72 HE2 TYR 72 31.574 54.113 33.468 592 HE2 TYR 72 HE1 TYR 72 34.195 57.345 32.351 593 HH TYR 72 HH TYR 72 32.129 56.868 31.312 594 H ALA 73 H ALA 73 39.052 54.130 34.976 595 HA ALA 73 HA ALA 73 39.721 55.531 32.660 596 HB1 ALA 73 HB1 ALA 73 41.617 54.307 34.661 597 HB2 ALA 73 HB2 ALA 73 41.963 55.584 33.447 598 HB3 ALA 73 HB3 ALA 73 40.861 55.927 34.761 599 H MET 74 H MET 74 39.971 51.957 33.012 600 HA MET 74 HA MET 74 42.171 51.718 31.225 601 HB2 MET 74 HB2 MET 74 41.378 50.068 33.076 602 HB3 MET 74 HB3 MET 74 40.143 49.527 31.938 603 HG2 MET 74 HG2 MET 74 42.259 48.117 32.166 604 HG3 MET 74 HG3 MET 74 41.684 48.459 30.551 605 HE1 MET 74 HE1 MET 74 44.895 47.503 31.256 606 HE2 MET 74 HE2 MET 74 43.850 47.528 29.812 607 HE3 MET 74 HE3 MET 74 45.409 48.392 29.800 608 H ASN 75 H ASN 75 38.871 52.129 30.705 609 HA ASN 75 HA ASN 75 38.996 51.510 27.771 610 HB2 ASN 75 HB2 ASN 75 37.130 50.543 28.961 611 HB3 ASN 75 HB3 ASN 75 36.854 52.069 29.821 612 HD21 ASN 75 HD22 ASN 75 34.974 52.999 29.183 613 HD22 ASN 75 HD21 ASN 75 34.611 53.242 27.472 614 H LEU 76 H LEU 76 38.625 54.095 30.162 615 HA LEU 76 HA LEU 76 37.635 56.093 28.383 616 HB2 LEU 76 HB2 LEU 76 37.387 55.706 30.964 617 HB3 LEU 76 HB3 LEU 76 38.890 56.608 31.094 618 HG LEU 76 HG LEU 76 36.882 57.837 31.621 619 HD11 LEU 76 HD11 LEU 76 38.335 58.972 29.201 620 HD12 LEU 76 HD12 LEU 76 37.156 59.857 30.180 621 HD13 LEU 76 HD13 LEU 76 38.642 59.297 30.934 622 HD21 LEU 76 HD21 LEU 76 35.274 56.813 30.107 623 HD22 LEU 76 HD22 LEU 76 35.267 58.580 30.039 624 HD23 LEU 76 HD23 LEU 76 36.009 57.663 28.722 625 H LEU 77 H LEU 77 40.817 55.636 29.943 626 HA LEU 77 HA LEU 77 42.092 57.622 28.100 627 HB2 LEU 77 HB2 LEU 77 43.213 56.691 30.736 628 HB3 LEU 77 HB3 LEU 77 43.841 57.911 29.628 629 HG LEU 77 HG LEU 77 43.036 59.186 31.317 630 HD11 LEU 77 HD11 LEU 77 40.696 59.140 29.387 631 HD12 LEU 77 HD12 LEU 77 40.828 60.222 30.791 632 HD13 LEU 77 HD13 LEU 77 42.038 60.293 29.528 633 HD21 LEU 77 HD21 LEU 77 42.241 57.714 32.769 634 HD22 LEU 77 HD22 LEU 77 40.862 58.784 32.498 635 HD23 LEU 77 HD23 LEU 77 40.884 57.153 31.756 636 H ASN 78 H ASN 78 43.908 55.170 29.838 637 HA ASN 78 HA ASN 78 45.527 53.792 28.995 638 HB2 ASN 78 HB2 ASN 78 43.874 52.324 29.654 639 HB3 ASN 78 HB3 ASN 78 42.862 52.624 28.217 640 HD21 ASN 78 HD22 ASN 78 46.400 51.790 28.468 641 HD22 ASN 78 HD21 ASN 78 46.147 50.233 27.692 642 H GLY 79 H GLY 79 46.242 55.686 27.668 643 HA2 GLY 79 HA2 GLY 79 47.633 55.229 25.592 644 HA3 GLY 79 HA3 GLY 79 46.093 55.214 24.710 645 H ILE 80 H ILE 80 46.720 57.559 27.349 646 HA ILE 80 HA ILE 80 46.832 59.660 25.250 647 HB ILE 80 HB ILE 80 44.987 60.868 26.089 648 HG12 ILE 80 HG12 ILE 80 43.641 59.370 28.006 649 HG13 ILE 80 HG13 ILE 80 45.362 59.202 28.454 650 HG21 ILE 80 HG21 ILE 80 43.938 57.997 25.913 651 HG22 ILE 80 HG22 ILE 80 43.027 59.504 25.712 652 HG23 ILE 80 HG23 ILE 80 44.234 59.044 24.517 653 HD11 ILE 80 HD11 ILE 80 44.157 61.130 29.469 654 HD12 ILE 80 HD12 ILE 80 45.608 61.614 28.547 655 HD13 ILE 80 HD13 ILE 80 43.997 61.842 27.843 656 H LYS 81 H LYS 81 47.341 61.657 25.779 657 HA LYS 81 HA LYS 81 48.609 62.346 28.294 658 HB2 LYS 81 HB2 LYS 81 50.877 62.509 27.071 659 HB3 LYS 81 HB3 LYS 81 50.286 61.031 27.817 660 HG2 LYS 81 HG2 LYS 81 51.242 60.303 25.845 661 HG3 LYS 81 HG3 LYS 81 49.519 60.253 25.512 662 HD2 LYS 81 HD2 LYS 81 49.693 62.418 24.281 663 HD3 LYS 81 HD3 LYS 81 51.418 62.498 24.708 664 HE2 LYS 81 HE2 LYS 81 51.801 60.399 23.409 665 HE3 LYS 81 HE3 LYS 81 50.105 60.345 22.984 666 HZ1 LYS 81 HZ1 LYS 81 51.112 61.421 21.196 667 HZ2 LYS 81 HZ2 LYS 81 50.555 62.687 22.027 668 HZ3 LYS 81 HZ3 LYS 81 52.131 62.286 22.120 669 H LEU 82 H LEU 82 49.948 64.353 27.892 670 HA LEU 82 HA LEU 82 49.154 66.020 25.556 671 HB2 LEU 82 HB2 LEU 82 48.095 66.659 27.758 672 HB3 LEU 82 HB3 LEU 82 49.678 66.747 28.505 673 HG LEU 82 HG LEU 82 50.300 68.560 26.832 674 HD11 LEU 82 HD11 LEU 82 48.471 68.092 25.173 675 HD12 LEU 82 HD12 LEU 82 47.275 68.408 26.440 676 HD13 LEU 82 HD13 LEU 82 48.314 69.733 25.838 677 HD21 LEU 82 HD21 LEU 82 48.940 70.250 28.090 678 HD22 LEU 82 HD22 LEU 82 48.025 68.896 28.802 679 HD23 LEU 82 HD23 LEU 82 49.770 69.051 29.117 680 H TYR 83 H TYR 83 51.582 65.149 27.889 681 HA TYR 83 HA TYR 83 53.743 66.756 26.781 682 HB2 TYR 83 HB2 TYR 83 53.533 64.546 28.855 683 HB3 TYR 83 HB3 TYR 83 55.042 65.415 28.515 684 HD1 TYR 83 HD1 TYR 83 52.587 67.903 28.482 685 HD2 TYR 83 HD2 TYR 83 54.503 65.121 31.126 686 HE1 TYR 83 HE1 TYR 83 52.285 69.507 30.394 687 HE2 TYR 83 HE2 TYR 83 54.059 66.644 33.067 688 HH TYR 83 HH TYR 83 52.857 69.891 32.630 689 H GLY 84 H GLY 84 53.352 63.177 27.193 690 HA2 GLY 84 HA2 GLY 84 54.286 62.594 24.482 691 HA3 GLY 84 HA3 GLY 84 55.566 62.436 25.701 692 H ARG 85 H ARG 85 54.289 61.288 27.801 693 HA ARG 85 HA ARG 85 54.308 58.507 26.715 694 HB2 ARG 85 HB2 ARG 85 54.958 59.662 29.436 695 HB3 ARG 85 HB3 ARG 85 54.643 57.939 29.159 696 HG2 ARG 85 HG2 ARG 85 56.933 58.062 29.003 697 HG3 ARG 85 HG3 ARG 85 56.416 58.053 27.300 698 HD2 ARG 85 HD2 ARG 85 56.654 60.669 27.512 699 HD3 ARG 85 HD3 ARG 85 57.524 60.255 28.990 700 HE ARG 85 HE ARG 85 58.437 58.793 26.562 701 HH11 ARG 85 HH11 ARG 85 58.763 61.775 28.450 702 HH12 ARG 85 HH12 ARG 85 60.365 62.018 27.833 703 HH21 ARG 85 HH21 ARG 85 60.569 59.209 25.916 704 HH22 ARG 85 HH22 ARG 85 61.380 60.577 26.666 705 HA PRO 86 HA PRO 86 49.903 58.737 27.295 706 HB2 PRO 86 HB2 PRO 86 49.282 56.283 26.275 707 HB3 PRO 86 HB3 PRO 86 49.645 57.711 25.246 708 HG2 PRO 86 HG2 PRO 86 51.430 55.417 26.096 709 HG3 PRO 86 HG3 PRO 86 51.350 56.191 24.460 710 HD2 PRO 86 HD2 PRO 86 53.289 56.698 26.354 711 HD3 PRO 86 HD3 PRO 86 52.777 57.900 25.156 712 H ILE 87 H ILE 87 48.822 58.360 28.996 713 HA ILE 87 HA ILE 87 49.965 56.898 31.103 714 HB ILE 87 HB ILE 87 47.387 58.362 30.668 715 HG12 ILE 87 HG12 ILE 87 49.451 59.561 31.282 716 HG13 ILE 87 HG13 ILE 87 48.172 59.735 32.500 717 HG21 ILE 87 HG21 ILE 87 47.782 56.395 32.906 718 HG22 ILE 87 HG22 ILE 87 46.813 57.868 33.148 719 HG23 ILE 87 HG23 ILE 87 46.354 56.721 31.884 720 HD11 ILE 87 HD11 ILE 87 50.647 58.001 32.753 721 HD12 ILE 87 HD12 ILE 87 50.316 59.543 33.546 722 HD13 ILE 87 HD13 ILE 87 49.324 58.133 33.960 723 H LYS 88 H LYS 88 50.059 54.866 31.473 724 HA LYS 88 HA LYS 88 48.144 52.977 30.281 725 HB2 LYS 88 HB2 LYS 88 50.608 52.790 29.783 726 HB3 LYS 88 HB3 LYS 88 50.867 52.459 31.500 727 HG2 LYS 88 HG2 LYS 88 50.759 50.401 30.115 728 HG3 LYS 88 HG3 LYS 88 49.683 50.502 31.521 729 HD2 LYS 88 HD2 LYS 88 47.740 50.834 30.166 730 HD3 LYS 88 HD3 LYS 88 48.668 51.017 28.690 731 HE2 LYS 88 HE2 LYS 88 49.004 48.512 30.366 732 HE3 LYS 88 HE3 LYS 88 47.557 48.666 29.369 733 HZ1 LYS 88 HZ1 LYS 88 50.306 48.679 28.302 734 HZ2 LYS 88 HZ2 LYS 88 49.162 47.561 28.130 735 HZ3 LYS 88 HZ3 LYS 88 48.953 49.014 27.448 736 H ILE 89 H ILE 89 46.507 53.203 31.788 737 HA ILE 89 HA ILE 89 46.697 52.531 34.613 738 HB ILE 89 HB ILE 89 44.421 52.093 32.631 739 HG12 ILE 89 HG12 ILE 89 43.697 54.218 34.186 740 HG13 ILE 89 HG13 ILE 89 45.434 54.519 34.096 741 HG21 ILE 89 HG21 ILE 89 44.425 52.309 35.658 742 HG22 ILE 89 HG22 ILE 89 42.989 52.117 34.617 743 HG23 ILE 89 HG23 ILE 89 44.154 50.800 34.750 744 HD11 ILE 89 HD11 ILE 89 43.574 54.158 31.723 745 HD12 ILE 89 HD12 ILE 89 44.113 55.718 32.410 746 HD13 ILE 89 HD13 ILE 89 45.287 54.647 31.633 747 H GLN 90 H GLN 90 46.952 50.598 35.621 748 HA GLN 90 HA GLN 90 46.374 48.101 34.149 749 HB2 GLN 90 HB2 GLN 90 48.716 48.363 36.061 750 HB3 GLN 90 HB3 GLN 90 48.261 46.956 35.097 751 HG2 GLN 90 HG2 GLN 90 48.878 48.153 33.029 752 HG3 GLN 90 HG3 GLN 90 49.237 49.608 33.980 753 HE21 GLN 90 HE22 GLN 90 51.128 48.016 32.208 754 HE22 GLN 90 HE21 GLN 90 52.406 47.571 33.308 755 H PHE 91 H PHE 91 45.835 46.331 35.492 756 HA PHE 91 HA PHE 91 45.588 46.719 38.402 757 HB2 PHE 91 HB2 PHE 91 43.443 47.516 37.036 758 HB3 PHE 91 HB3 PHE 91 43.113 45.799 37.013 759 HD1 PHE 91 HD2 PHE 91 43.996 48.677 39.244 760 HD2 PHE 91 HD1 PHE 91 42.565 44.645 39.120 761 HE1 PHE 91 HE2 PHE 91 43.152 48.901 41.609 762 HE2 PHE 91 HE1 PHE 91 41.853 44.820 41.502 763 HZ PHE 91 HZ PHE 91 42.016 47.012 42.684 764 H ARG 92 H ARG 92 45.307 44.780 39.644 765 HA ARG 92 HA ARG 92 45.990 42.318 38.271 766 HB2 ARG 92 HB2 ARG 92 45.942 43.182 41.174 767 HB3 ARG 92 HB3 ARG 92 45.963 41.507 40.825 768 HG2 ARG 92 HG2 ARG 92 48.091 43.452 39.753 769 HG3 ARG 92 HG3 ARG 92 48.281 42.432 41.158 770 HD2 ARG 92 HD2 ARG 92 47.987 41.479 38.287 771 HD3 ARG 92 HD3 ARG 92 49.385 41.350 39.335 772 HE ARG 92 HE ARG 92 46.881 39.714 39.501 773 HH11 ARG 92 HH11 ARG 92 50.148 40.378 40.803 774 HH12 ARG 92 HH12 ARG 92 50.035 38.902 41.755 775 HH21 ARG 92 HH21 ARG 92 46.943 37.968 40.842 776 HH22 ARG 92 HH22 ARG 92 48.373 37.735 41.856 777 H SER 93 H SER 93 45.126 40.465 38.226 778 HA SER 93 HA SER 93 42.496 39.809 39.492 779 HB2 SER 93 HB2 SER 93 43.610 39.052 36.786 780 HB3 SER 93 HB3 SER 93 42.258 38.197 37.558 781 HG SER 93 HG SER 93 41.621 39.941 36.315 782 H GLY 94 H GLY 94 42.272 37.274 39.655 783 HA2 GLY 94 HA2 GLY 94 44.232 35.428 40.137 784 HA3 GLY 94 HA3 GLY 94 44.321 36.469 41.553 785 H SER 95 H SER 95 41.114 35.749 40.155 786 HA SER 95 HA SER 95 39.267 34.857 41.115 787 HB2 SER 95 HB2 SER 95 41.342 32.674 41.288 788 HB3 SER 95 HB3 SER 95 39.614 32.369 41.536 789 HG SER 95 HG SER 95 39.857 32.110 39.490 790 H SER 96 H SER 96 40.248 36.493 43.198 791 HA SER 96 HA SER 96 39.082 35.160 45.488 792 HB2 SER 96 HB2 SER 96 41.070 35.409 46.958 793 HB3 SER 96 HB3 SER 96 41.311 34.190 45.710 794 HG SER 96 HG SER 96 42.524 35.650 44.547 795 H HIS 97 H HIS 97 39.105 36.531 47.457 796 HA HIS 97 HA HIS 97 38.823 39.445 46.855 797 HB2 HIS 97 HB2 HIS 97 36.874 37.520 48.192 798 HB3 HIS 97 HB3 HIS 97 36.683 39.279 48.122 799 HD2 HIS 97 HD2 HIS 97 37.538 39.580 44.983 800 HE1 HIS 97 HE1 HIS 97 34.030 37.296 44.285 801 HE2 HIS 97 HE2 HIS 97 35.804 38.767 43.234 802 H ALA 98 H ALA 98 39.199 40.859 48.591 803 HA ALA 98 HA ALA 98 40.999 40.181 50.580 804 HB1 ALA 98 HB1 ALA 98 39.022 42.486 50.563 805 HB2 ALA 98 HB2 ALA 98 40.449 42.328 51.599 806 HB3 ALA 98 HB3 ALA 98 40.657 42.459 49.852 807 HA PRO 99 HA PRO 99 38.206 38.439 53.737 808 HB2 PRO 99 HB2 PRO 99 39.988 38.185 55.806 809 HB3 PRO 99 HB3 PRO 99 39.866 37.056 54.434 810 HG2 PRO 99 HG2 PRO 99 41.895 39.197 55.005 811 HG3 PRO 99 HG3 PRO 99 42.122 37.715 54.049 812 HD2 PRO 99 HD2 PRO 99 41.609 40.371 53.106 813 HD3 PRO 99 HD3 PRO 99 41.654 38.866 52.119 814 H GLN 100 H GLN 100 36.831 39.436 54.793 815 HA GLN 100 HA GLN 100 37.269 41.948 56.253 816 HB2 GLN 100 HB2 GLN 100 35.589 41.704 54.445 817 HB3 GLN 100 HB3 GLN 100 34.892 40.330 55.279 818 HG2 GLN 100 HG2 GLN 100 33.510 42.190 55.470 819 HG3 GLN 100 HG3 GLN 100 34.112 41.817 57.093 820 HE21 GLN 100 HE22 GLN 100 32.977 44.355 56.004 821 HE22 GLN 100 HE21 GLN 100 34.268 45.530 56.291 822 H ASP 101 H ASP 101 36.704 38.565 56.949 823 HA ASP 101 HA ASP 101 35.834 39.024 59.777 824 HB2 ASP 101 HB2 ASP 101 35.003 36.633 58.107 825 HB3 ASP 101 HB3 ASP 101 34.470 37.075 59.698 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 36.469 14.960 39.076 2 H2 GLY 1 H2 GLY 1 36.365 13.505 38.326 3 H3 GLY 1 H3 GLY 1 37.755 13.980 39.050 4 HA2 GLY 1 HA2 GLY 1 35.355 12.927 40.312 5 HA3 GLY 1 HA3 GLY 1 37.059 12.527 40.607 6 H SER 2 H SER 2 37.049 12.926 42.838 7 HA SER 2 HA SER 2 35.487 14.891 44.059 8 HB2 SER 2 HB2 SER 2 37.818 13.267 45.118 9 HB3 SER 2 HB3 SER 2 36.751 14.265 46.116 10 HG SER 2 HG SER 2 35.435 12.608 45.954 11 H GLU 3 H GLU 3 35.906 16.832 45.137 12 HA GLU 3 HA GLU 3 37.522 18.631 43.613 13 HB2 GLU 3 HB2 GLU 3 35.999 19.052 46.193 14 HB3 GLU 3 HB3 GLU 3 36.932 20.294 45.373 15 HG2 GLU 3 HG2 GLU 3 34.582 20.460 44.731 16 HG3 GLU 3 HG3 GLU 3 35.607 20.124 43.355 17 H PHE 4 H PHE 4 39.372 19.751 44.059 18 HA PHE 4 HA PHE 4 41.101 19.095 46.358 19 HB2 PHE 4 HB2 PHE 4 41.436 17.361 44.566 20 HB3 PHE 4 HB3 PHE 4 41.866 18.618 43.425 21 HD1 PHE 4 HD2 PHE 4 42.964 16.722 46.388 22 HD2 PHE 4 HD1 PHE 4 44.060 19.584 43.351 23 HE1 PHE 4 HE2 PHE 4 45.365 16.274 46.819 24 HE2 PHE 4 HE1 PHE 4 46.457 19.165 43.825 25 HZ PHE 4 HZ PHE 4 47.103 17.439 45.493 26 H GLU 5 H GLU 5 40.373 21.257 43.665 27 HA GLU 5 HA GLU 5 42.505 23.131 44.550 28 HB2 GLU 5 HB2 GLU 5 41.163 22.841 41.848 29 HB3 GLU 5 HB3 GLU 5 42.374 24.072 42.273 30 HG2 GLU 5 HG2 GLU 5 44.030 22.316 42.732 31 HG3 GLU 5 HG3 GLU 5 42.849 21.081 42.270 32 H LEU 6 H LEU 6 39.177 22.763 45.127 33 HA LEU 6 HA LEU 6 38.537 25.594 45.049 34 HB2 LEU 6 HB2 LEU 6 37.497 23.490 46.988 35 HB3 LEU 6 HB3 LEU 6 36.876 25.111 46.711 36 HG LEU 6 HG LEU 6 36.630 22.778 44.782 37 HD11 LEU 6 HD11 LEU 6 35.251 22.598 46.713 38 HD12 LEU 6 HD12 LEU 6 34.760 24.306 46.617 39 HD13 LEU 6 HD13 LEU 6 34.217 23.155 45.373 40 HD21 LEU 6 HD21 LEU 6 36.886 24.778 43.476 41 HD22 LEU 6 HD22 LEU 6 35.152 24.410 43.520 42 HD23 LEU 6 HD23 LEU 6 35.785 25.710 44.534 43 H ARG 7 H ARG 7 38.573 27.047 46.989 44 HA ARG 7 HA ARG 7 40.930 26.842 48.677 45 HB2 ARG 7 HB2 ARG 7 38.487 28.680 48.954 46 HB3 ARG 7 HB3 ARG 7 39.948 28.768 49.878 47 HG2 ARG 7 HG2 ARG 7 40.072 30.441 48.209 48 HG3 ARG 7 HG3 ARG 7 41.272 29.197 47.813 49 HD2 ARG 7 HD2 ARG 7 40.086 28.463 45.933 50 HD3 ARG 7 HD3 ARG 7 38.571 29.151 46.461 51 HE ARG 7 HE ARG 7 40.868 30.534 45.143 52 HH11 ARG 7 HH11 ARG 7 37.783 31.124 46.828 53 HH12 ARG 7 HH12 ARG 7 37.446 32.493 45.796 54 HH21 ARG 7 HH21 ARG 7 40.166 32.245 43.860 55 HH22 ARG 7 HH22 ARG 7 38.541 32.863 44.075 56 H ARG 8 H ARG 8 41.085 26.043 50.710 57 HA ARG 8 HA ARG 8 38.908 24.355 51.812 58 HB2 ARG 8 HB2 ARG 8 41.709 24.888 52.856 59 HB3 ARG 8 HB3 ARG 8 40.515 23.831 53.600 60 HG2 ARG 8 HG2 ARG 8 41.326 22.136 52.410 61 HG3 ARG 8 HG3 ARG 8 40.632 22.886 50.959 62 HD2 ARG 8 HD2 ARG 8 42.862 24.282 51.010 63 HD3 ARG 8 HD3 ARG 8 43.430 22.994 52.081 64 HE ARG 8 HE ARG 8 42.385 21.632 49.857 65 HH11 ARG 8 HH11 ARG 8 44.912 24.045 50.490 66 HH12 ARG 8 HH12 ARG 8 45.833 23.501 49.111 67 HH21 ARG 8 HH21 ARG 8 43.555 21.435 47.775 68 HH22 ARG 8 HH22 ARG 8 45.209 22.012 47.894 69 H GLN 9 H GLN 9 40.247 27.546 52.376 70 HA GLN 9 HA GLN 9 38.457 28.010 54.695 71 HB2 GLN 9 HB2 GLN 9 40.498 29.677 53.221 72 HB3 GLN 9 HB3 GLN 9 39.247 30.430 54.220 73 HG2 GLN 9 HG2 GLN 9 39.863 29.182 56.163 74 HG3 GLN 9 HG3 GLN 9 41.108 28.287 55.298 75 HE21 GLN 9 HE22 GLN 9 42.064 29.653 57.490 76 HE22 GLN 9 HE21 GLN 9 42.820 31.165 57.014 77 H GLN 10 H GLN 10 36.848 29.704 54.577 78 HA GLN 10 HA GLN 10 35.112 28.985 52.576 79 HB2 GLN 10 HB2 GLN 10 33.564 30.656 53.519 80 HB3 GLN 10 HB3 GLN 10 34.318 29.627 54.725 81 HG2 GLN 10 HG2 GLN 10 35.762 31.416 55.485 82 HG3 GLN 10 HG3 GLN 10 35.268 32.473 54.140 83 HE21 GLN 10 HE22 GLN 10 34.690 31.762 57.400 84 HE22 GLN 10 HE21 GLN 10 33.023 32.313 57.438 85 H ALA 11 H ALA 11 37.234 31.841 52.250 86 HA ALA 11 HA ALA 11 35.929 32.383 49.627 87 HB1 ALA 11 HB1 ALA 11 35.475 34.603 50.174 88 HB2 ALA 11 HB2 ALA 11 34.822 33.630 51.501 89 HB3 ALA 11 HB3 ALA 11 36.354 34.485 51.738 90 H LEU 12 H LEU 12 37.187 33.916 48.312 91 HA LEU 12 HA LEU 12 40.048 33.979 48.296 92 HB2 LEU 12 HB2 LEU 12 39.786 35.664 46.595 93 HB3 LEU 12 HB3 LEU 12 38.614 34.416 46.372 94 HG LEU 12 HG LEU 12 37.076 36.074 47.891 95 HD11 LEU 12 HD11 LEU 12 38.759 38.049 46.305 96 HD12 LEU 12 HD12 LEU 12 37.344 38.357 47.339 97 HD13 LEU 12 HD13 LEU 12 38.860 37.832 48.069 98 HD21 LEU 12 HD21 LEU 12 36.463 35.112 45.818 99 HD22 LEU 12 HD22 LEU 12 36.074 36.827 45.810 100 HD23 LEU 12 HD23 LEU 12 37.505 36.224 44.902 101 H ALA 13 H ALA 13 41.362 35.973 48.833 102 HA ALA 13 HA ALA 13 40.645 36.637 51.664 103 HB1 ALA 13 HB1 ALA 13 42.795 35.556 52.216 104 HB2 ALA 13 HB2 ALA 13 41.854 34.443 51.203 105 HB3 ALA 13 HB3 ALA 13 43.165 35.415 50.487 106 H GLU 14 H GLU 14 41.589 38.162 48.822 107 HA GLU 14 HA GLU 14 43.110 40.156 50.362 108 HB2 GLU 14 HB2 GLU 14 44.576 38.281 49.195 109 HB3 GLU 14 HB3 GLU 14 44.133 39.113 47.712 110 HG2 GLU 14 HG2 GLU 14 46.246 39.972 48.551 111 HG3 GLU 14 HG3 GLU 14 45.012 41.238 48.660 112 H ALA 15 H ALA 15 42.681 42.186 49.797 113 HA ALA 15 HA ALA 15 42.036 42.981 47.044 114 HB1 ALA 15 HB1 ALA 15 39.891 43.945 47.699 115 HB2 ALA 15 HB2 ALA 15 39.936 42.294 48.333 116 HB3 ALA 15 HB3 ALA 15 40.274 43.646 49.425 117 H ASP 16 H ASP 16 42.026 45.539 46.910 118 HA ASP 16 HA ASP 16 43.307 47.017 49.113 119 HB2 ASP 16 HB2 ASP 16 45.229 46.172 47.740 120 HB3 ASP 16 HB3 ASP 16 44.511 46.919 46.326 121 H ARG 17 H ARG 17 43.079 49.407 48.793 122 HA ARG 17 HA ARG 17 40.522 50.089 47.460 123 HB2 ARG 17 HB2 ARG 17 42.142 51.470 49.605 124 HB3 ARG 17 HB3 ARG 17 41.010 52.379 48.635 125 HG2 ARG 17 HG2 ARG 17 39.946 51.746 50.593 126 HG3 ARG 17 HG3 ARG 17 39.161 51.018 49.177 127 HD2 ARG 17 HD2 ARG 17 39.251 49.558 51.201 128 HD3 ARG 17 HD3 ARG 17 39.895 48.854 49.695 129 HE ARG 17 HE ARG 17 42.087 49.960 51.076 130 HH11 ARG 17 HH11 ARG 17 39.823 47.230 51.134 131 HH12 ARG 17 HH12 ARG 17 40.969 46.294 52.061 132 HH21 ARG 17 HH21 ARG 17 43.494 48.579 51.741 133 HH22 ARG 17 HH22 ARG 17 43.067 46.917 52.167 134 H THR 18 H THR 18 43.098 49.808 45.828 135 HA THR 18 HA THR 18 43.240 52.591 44.711 136 HB THR 18 HB THR 18 45.828 51.270 45.322 137 HG1 THR 18 HG1 THR 18 44.982 50.922 47.198 138 HG21 THR 18 HG21 THR 18 45.861 53.581 44.433 139 HG22 THR 18 HG22 THR 18 44.926 54.138 45.852 140 HG23 THR 18 HG23 THR 18 46.526 53.449 46.075 141 H LEU 19 H LEU 19 44.221 52.943 42.819 142 HA LEU 19 HA LEU 19 44.124 50.736 40.852 143 HB2 LEU 19 HB2 LEU 19 42.509 52.695 40.832 144 HB3 LEU 19 HB3 LEU 19 43.879 53.774 40.643 145 HG LEU 19 HG LEU 19 44.433 52.789 38.468 146 HD11 LEU 19 HD11 LEU 19 41.861 51.213 38.841 147 HD12 LEU 19 HD12 LEU 19 42.820 51.309 37.341 148 HD13 LEU 19 HD13 LEU 19 43.501 50.507 38.755 149 HD21 LEU 19 HD21 LEU 19 41.518 53.649 38.784 150 HD22 LEU 19 HD22 LEU 19 42.885 54.753 38.706 151 HD23 LEU 19 HD23 LEU 19 42.477 53.749 37.289 152 H PHE 20 H PHE 20 45.900 50.277 39.492 153 HA PHE 20 HA PHE 20 48.411 51.664 40.186 154 HB2 PHE 20 HB2 PHE 20 48.353 49.172 40.130 155 HB3 PHE 20 HB3 PHE 20 48.054 49.242 38.403 156 HD1 PHE 20 HD1 PHE 20 49.776 50.544 36.928 157 HD2 PHE 20 HD2 PHE 20 50.582 49.359 40.987 158 HE1 PHE 20 HE1 PHE 20 52.196 50.652 36.471 159 HE2 PHE 20 HE2 PHE 20 53.019 49.438 40.524 160 HZ PHE 20 HZ PHE 20 53.832 50.083 38.257 161 H VAL 21 H VAL 21 49.437 53.115 38.833 162 HA VAL 21 HA VAL 21 48.519 53.273 36.002 163 HB VAL 21 HB VAL 21 49.066 55.717 37.702 164 HG11 VAL 21 HG11 VAL 21 47.668 55.318 35.025 165 HG12 VAL 21 HG12 VAL 21 48.028 56.875 35.829 166 HG13 VAL 21 HG13 VAL 21 49.337 55.871 35.188 167 HG21 VAL 21 HG21 VAL 21 46.966 54.637 38.585 168 HG22 VAL 21 HG22 VAL 21 46.624 56.132 37.733 169 HG23 VAL 21 HG23 VAL 21 46.320 54.562 36.952 170 H GLY 22 H GLY 22 50.167 53.028 34.677 171 HA2 GLY 22 HA2 GLY 22 52.966 53.807 35.443 172 HA3 GLY 22 HA3 GLY 22 52.651 52.311 34.621 173 H ASN 23 H ASN 23 54.267 53.548 33.415 174 HA ASN 23 HA ASN 23 54.989 54.303 31.452 175 HB2 ASN 23 HB2 ASN 23 52.876 52.927 30.757 176 HB3 ASN 23 HB3 ASN 23 52.178 54.544 30.468 177 HD21 ASN 23 HD21 ASN 23 52.041 54.698 28.327 178 HD22 ASN 23 HD22 ASN 23 53.319 54.311 27.179 179 H LEU 24 H LEU 24 54.304 56.071 33.587 180 HA LEU 24 HA LEU 24 53.143 58.552 32.787 181 HB2 LEU 24 HB2 LEU 24 55.158 57.854 34.951 182 HB3 LEU 24 HB3 LEU 24 54.441 59.411 34.841 183 HG LEU 24 HG LEU 24 53.609 57.585 36.571 184 HD11 LEU 24 HD11 LEU 24 51.767 59.450 35.081 185 HD12 LEU 24 HD12 LEU 24 51.166 58.442 36.423 186 HD13 LEU 24 HD13 LEU 24 52.365 59.596 36.789 187 HD21 LEU 24 HD21 LEU 24 53.046 55.874 35.036 188 HD22 LEU 24 HD22 LEU 24 51.559 56.417 35.851 189 HD23 LEU 24 HD23 LEU 24 51.865 56.926 34.187 190 H GLU 25 H GLU 25 54.222 60.610 32.736 191 HA GLU 25 HA GLU 25 56.760 60.649 31.231 192 HB2 GLU 25 HB2 GLU 25 54.479 62.308 31.285 193 HB3 GLU 25 HB3 GLU 25 55.717 63.252 32.113 194 HG2 GLU 25 HG2 GLU 25 56.254 61.819 29.508 195 HG3 GLU 25 HG3 GLU 25 55.549 63.420 29.495 196 H THR 26 H THR 26 58.409 62.175 31.762 197 HA THR 26 HA THR 26 59.633 61.627 34.264 198 HB THR 26 HB THR 26 61.344 63.232 33.535 199 HG1 THR 26 HG1 THR 26 59.671 63.806 31.376 200 HG21 THR 26 HG21 THR 26 60.184 61.517 31.276 201 HG22 THR 26 HG22 THR 26 61.749 62.324 31.213 202 HG23 THR 26 HG23 THR 26 61.415 61.060 32.467 203 H LYS 27 H LYS 27 57.810 64.365 32.980 204 HA LYS 27 HA LYS 27 57.964 65.821 35.542 205 HB2 LYS 27 HB2 LYS 27 58.333 66.605 32.829 206 HB3 LYS 27 HB3 LYS 27 56.793 67.300 33.290 207 HG2 LYS 27 HG2 LYS 27 58.486 68.916 33.796 208 HG3 LYS 27 HG3 LYS 27 57.881 68.276 35.315 209 HD2 LYS 27 HD2 LYS 27 60.215 68.490 35.528 210 HD3 LYS 27 HD3 LYS 27 59.883 66.766 35.462 211 HE2 LYS 27 HE2 LYS 27 60.831 66.611 33.216 212 HE3 LYS 27 HE3 LYS 27 60.798 68.366 33.031 213 HZ1 LYS 27 HZ1 LYS 27 62.968 67.705 33.588 214 HZ2 LYS 27 HZ2 LYS 27 62.433 68.371 34.973 215 HZ3 LYS 27 HZ3 LYS 27 62.530 66.750 34.767 216 H VAL 28 H VAL 28 56.116 63.555 35.044 217 HA VAL 28 HA VAL 28 53.428 64.593 35.206 218 HB VAL 28 HB VAL 28 54.135 62.229 34.521 219 HG11 VAL 28 HG11 VAL 28 55.566 61.465 36.257 220 HG12 VAL 28 HG12 VAL 28 54.467 61.976 37.548 221 HG13 VAL 28 HG13 VAL 28 54.049 60.587 36.543 222 HG21 VAL 28 HG21 VAL 28 51.848 63.209 35.067 223 HG22 VAL 28 HG22 VAL 28 52.023 61.483 34.931 224 HG23 VAL 28 HG23 VAL 28 51.949 62.227 36.559 225 H THR 29 H THR 29 52.031 64.410 37.162 226 HA THR 29 HA THR 29 53.142 64.707 39.814 227 HB THR 29 HB THR 29 52.207 67.043 40.211 228 HG1 THR 29 HG1 THR 29 52.341 67.190 37.470 229 HG21 THR 29 HG21 THR 29 54.656 67.117 38.428 230 HG22 THR 29 HG22 THR 29 54.276 68.044 39.917 231 HG23 THR 29 HG23 THR 29 54.649 66.324 40.002 232 H GLU 30 H GLU 30 51.450 65.194 41.419 233 HA GLU 30 HA GLU 30 49.137 63.651 40.965 234 HB2 GLU 30 HB2 GLU 30 49.691 65.747 43.081 235 HB3 GLU 30 HB3 GLU 30 48.417 64.503 43.156 236 HG2 GLU 30 HG2 GLU 30 50.323 62.769 42.973 237 HG3 GLU 30 HG3 GLU 30 51.433 64.095 43.184 238 H GLU 31 H GLU 31 49.765 67.083 40.497 239 HA GLU 31 HA GLU 31 47.103 68.120 40.096 240 HB2 GLU 31 HB2 GLU 31 49.796 68.989 38.943 241 HB3 GLU 31 HB3 GLU 31 48.307 69.911 38.812 242 HG2 GLU 31 HG2 GLU 31 48.242 70.017 41.350 243 HG3 GLU 31 HG3 GLU 31 49.848 69.318 41.356 244 H LEU 32 H LEU 32 49.340 66.500 37.824 245 HA LEU 32 HA LEU 32 47.583 66.908 35.490 246 HB2 LEU 32 HB2 LEU 32 49.863 66.822 35.059 247 HB3 LEU 32 HB3 LEU 32 50.122 65.334 35.941 248 HG LEU 32 HG LEU 32 50.369 65.139 33.534 249 HD11 LEU 32 HD11 LEU 32 49.663 63.150 34.963 250 HD12 LEU 32 HD12 LEU 32 48.018 63.381 34.334 251 HD13 LEU 32 HD13 LEU 32 49.336 63.001 33.237 252 HD21 LEU 32 HD21 LEU 32 48.841 66.524 32.446 253 HD22 LEU 32 HD22 LEU 32 48.324 64.874 32.085 254 HD23 LEU 32 HD23 LEU 32 47.443 65.844 33.290 255 H LEU 33 H LEU 33 48.475 64.195 37.646 256 HA LEU 33 HA LEU 33 46.746 62.257 36.529 257 HB2 LEU 33 HB2 LEU 33 47.766 62.762 39.331 258 HB3 LEU 33 HB3 LEU 33 46.937 61.254 38.883 259 HG LEU 33 HG LEU 33 49.619 62.251 37.835 260 HD11 LEU 33 HD11 LEU 33 48.833 59.801 39.492 261 HD12 LEU 33 HD12 LEU 33 50.477 60.243 39.028 262 HD13 LEU 33 HD13 LEU 33 49.567 61.282 40.140 263 HD21 LEU 33 HD21 LEU 33 48.089 59.726 37.114 264 HD22 LEU 33 HD22 LEU 33 48.408 61.100 36.024 265 HD23 LEU 33 HD23 LEU 33 49.759 60.134 36.614 266 H PHE 34 H PHE 34 45.980 64.645 39.134 267 HA PHE 34 HA PHE 34 43.342 63.659 39.520 268 HB2 PHE 34 HB2 PHE 34 44.805 65.137 41.032 269 HB3 PHE 34 HB3 PHE 34 44.454 66.466 39.970 270 HD1 PHE 34 HD1 PHE 34 41.963 67.289 39.941 271 HD2 PHE 34 HD2 PHE 34 43.396 64.319 42.719 272 HE1 PHE 34 HE1 PHE 34 39.954 67.630 41.385 273 HE2 PHE 34 HE2 PHE 34 41.462 64.736 44.176 274 HZ PHE 34 HZ PHE 34 39.647 66.264 43.431 275 H GLU 35 H GLU 35 44.614 66.265 37.380 276 HA GLU 35 HA GLU 35 42.175 67.155 36.211 277 HB2 GLU 35 HB2 GLU 35 44.435 68.301 36.006 278 HB3 GLU 35 HB3 GLU 35 44.981 66.988 34.991 279 HG2 GLU 35 HG2 GLU 35 44.433 68.938 33.669 280 HG3 GLU 35 HG3 GLU 35 43.416 67.593 33.234 281 H LEU 36 H LEU 36 44.284 64.440 35.375 282 HA LEU 36 HA LEU 36 42.897 63.784 32.923 283 HB2 LEU 36 HB2 LEU 36 45.237 63.569 32.990 284 HB3 LEU 36 HB3 LEU 36 45.207 62.688 34.524 285 HG LEU 36 HG LEU 36 43.769 61.339 32.288 286 HD11 LEU 36 HD11 LEU 36 46.805 61.404 32.374 287 HD12 LEU 36 HD12 LEU 36 45.757 60.417 31.304 288 HD13 LEU 36 HD13 LEU 36 45.825 62.188 31.120 289 HD21 LEU 36 HD21 LEU 36 45.971 60.279 34.110 290 HD22 LEU 36 HD22 LEU 36 44.323 60.467 34.695 291 HD23 LEU 36 HD23 LEU 36 44.648 59.389 33.315 292 H PHE 37 H PHE 37 43.112 62.170 36.176 293 HA PHE 37 HA PHE 37 41.041 60.285 35.426 294 HB2 PHE 37 HB2 PHE 37 42.350 60.717 38.081 295 HB3 PHE 37 HB3 PHE 37 41.209 59.453 37.694 296 HD1 PHE 37 HD2 PHE 37 41.876 58.155 35.256 297 HD2 PHE 37 HD1 PHE 37 44.588 60.061 38.007 298 HE1 PHE 37 HE2 PHE 37 43.758 56.754 34.399 299 HE2 PHE 37 HE1 PHE 37 46.429 58.591 37.186 300 HZ PHE 37 HZ PHE 37 46.005 57.026 35.275 301 H HIS 38 H HIS 38 40.608 63.626 36.240 302 HA HIS 38 HA HIS 38 37.972 63.615 37.334 303 HB2 HIS 38 HB2 HIS 38 39.280 65.717 36.727 304 HB3 HIS 38 HB3 HIS 38 39.152 65.259 35.048 305 HD2 HIS 38 HD2 HIS 38 35.849 64.945 37.023 306 HE1 HIS 38 HE1 HIS 38 35.735 68.721 35.086 307 HE2 HIS 38 HE2 HIS 38 34.386 67.010 36.384 308 H GLN 39 H GLN 39 39.100 63.026 34.013 309 HA GLN 39 HA GLN 39 36.419 62.936 32.942 310 HB2 GLN 39 HB2 GLN 39 38.899 61.789 31.699 311 HB3 GLN 39 HB3 GLN 39 37.329 62.148 30.942 312 HG2 GLN 39 HG2 GLN 39 39.426 64.164 31.813 313 HG3 GLN 39 HG3 GLN 39 38.861 63.778 30.207 314 HE21 GLN 39 HE22 GLN 39 38.793 66.458 31.633 315 HE22 GLN 39 HE21 GLN 39 37.109 66.924 31.635 316 H ALA 40 H ALA 40 38.201 60.514 34.712 317 HA ALA 40 HA ALA 40 36.735 58.306 33.396 318 HB1 ALA 40 HB1 ALA 40 38.984 58.387 35.427 319 HB2 ALA 40 HB2 ALA 40 38.136 56.913 34.954 320 HB3 ALA 40 HB3 ALA 40 39.017 57.873 33.729 321 H GLY 41 H GLY 41 35.842 60.501 35.681 322 HA2 GLY 41 HA2 GLY 41 33.557 60.039 36.704 323 HA3 GLY 41 HA3 GLY 41 34.218 58.500 37.214 324 HA PRO 42 HA PRO 42 35.288 61.172 40.764 325 HB2 PRO 42 HB2 PRO 42 34.603 59.383 42.752 326 HB3 PRO 42 HB3 PRO 42 33.468 60.546 42.003 327 HG2 PRO 42 HG2 PRO 42 33.793 57.606 41.502 328 HG3 PRO 42 HG3 PRO 42 32.303 58.605 41.490 329 HD2 PRO 42 HD2 PRO 42 33.702 57.792 39.202 330 HD3 PRO 42 HD3 PRO 42 32.568 59.166 39.289 331 H VAL 43 H VAL 43 36.948 60.967 42.240 332 HA VAL 43 HA VAL 43 38.552 58.538 42.474 333 HB VAL 43 HB VAL 43 40.670 59.962 42.332 334 HG11 VAL 43 HG11 VAL 43 39.245 59.575 39.705 335 HG12 VAL 43 HG12 VAL 43 40.995 59.697 40.002 336 HG13 VAL 43 HG13 VAL 43 40.098 58.292 40.635 337 HG21 VAL 43 HG21 VAL 43 39.849 62.255 42.208 338 HG22 VAL 43 HG22 VAL 43 40.660 61.827 40.701 339 HG23 VAL 43 HG23 VAL 43 38.882 61.859 40.770 340 H ILE 44 H ILE 44 39.633 58.481 44.526 341 HA ILE 44 HA ILE 44 38.360 60.282 46.502 342 HB ILE 44 HB ILE 44 40.138 57.852 46.966 343 HG12 ILE 44 HG12 ILE 44 38.174 57.141 45.726 344 HG13 ILE 44 HG13 ILE 44 38.209 56.504 47.360 345 HG21 ILE 44 HG21 ILE 44 38.330 59.411 48.848 346 HG22 ILE 44 HG22 ILE 44 39.238 57.915 49.222 347 HG23 ILE 44 HG23 ILE 44 40.092 59.414 48.840 348 HD11 ILE 44 HD11 ILE 44 35.963 57.127 46.677 349 HD12 ILE 44 HD12 ILE 44 36.520 57.994 48.117 350 HD13 ILE 44 HD13 ILE 44 36.453 58.832 46.535 351 H LYS 45 H LYS 45 41.548 59.196 45.578 352 HA LYS 45 HA LYS 45 42.791 61.769 45.829 353 HB2 LYS 45 HB2 LYS 45 44.424 61.332 47.556 354 HB3 LYS 45 HB3 LYS 45 42.841 61.154 48.219 355 HG2 LYS 45 HG2 LYS 45 44.035 58.596 47.252 356 HG3 LYS 45 HG3 LYS 45 45.019 59.421 48.433 357 HD2 LYS 45 HD2 LYS 45 42.249 58.284 48.898 358 HD3 LYS 45 HD3 LYS 45 43.768 57.863 49.655 359 HE2 LYS 45 HE2 LYS 45 43.322 60.673 50.099 360 HE3 LYS 45 HE3 LYS 45 41.815 59.820 50.437 361 HZ1 LYS 45 HZ1 LYS 45 44.453 59.195 51.645 362 HZ2 LYS 45 HZ2 LYS 45 43.250 60.013 52.364 363 HZ3 LYS 45 HZ3 LYS 45 43.044 58.443 52.010 364 H VAL 46 H VAL 46 45.082 61.736 45.312 365 HA VAL 46 HA VAL 46 45.984 59.655 43.347 366 HB VAL 46 HB VAL 46 46.477 62.639 43.484 367 HG11 VAL 46 HG11 VAL 46 48.444 61.569 42.516 368 HG12 VAL 46 HG12 VAL 46 47.417 60.685 41.361 369 HG13 VAL 46 HG13 VAL 46 47.522 62.472 41.319 370 HG21 VAL 46 HG21 VAL 46 44.871 61.022 41.437 371 HG22 VAL 46 HG22 VAL 46 44.198 62.159 42.618 372 HG23 VAL 46 HG23 VAL 46 45.249 62.758 41.330 373 H LYS 47 H LYS 47 48.035 58.988 43.525 374 HA LYS 47 HA LYS 47 50.034 60.077 45.453 375 HB2 LYS 47 HB2 LYS 47 49.171 58.010 46.360 376 HB3 LYS 47 HB3 LYS 47 49.163 57.220 44.796 377 HG2 LYS 47 HG2 LYS 47 50.962 56.251 46.068 378 HG3 LYS 47 HG3 LYS 47 51.608 57.112 44.712 379 HD2 LYS 47 HD2 LYS 47 51.963 59.116 46.358 380 HD3 LYS 47 HD3 LYS 47 51.564 57.963 47.632 381 HE2 LYS 47 HE2 LYS 47 53.881 57.686 45.630 382 HE3 LYS 47 HE3 LYS 47 54.016 58.337 47.257 383 HZ1 LYS 47 HZ1 LYS 47 53.518 56.231 48.146 384 HZ2 LYS 47 HZ2 LYS 47 53.066 55.605 46.709 385 HZ3 LYS 47 HZ3 LYS 47 54.625 55.974 46.998 386 H ILE 48 H ILE 48 51.758 60.848 44.569 387 HA ILE 48 HA ILE 48 53.016 59.524 42.204 388 HB ILE 48 HB ILE 48 53.021 62.280 43.338 389 HG12 ILE 48 HG12 ILE 48 51.463 61.391 41.425 390 HG13 ILE 48 HG13 ILE 48 52.265 62.932 41.206 391 HG21 ILE 48 HG21 ILE 48 55.234 61.233 41.591 392 HG22 ILE 48 HG22 ILE 48 54.699 62.943 41.660 393 HG23 ILE 48 HG23 ILE 48 55.355 62.167 43.103 394 HD11 ILE 48 HD11 ILE 48 53.877 61.990 39.659 395 HD12 ILE 48 HD12 ILE 48 53.354 60.336 40.029 396 HD13 ILE 48 HD13 ILE 48 52.283 61.456 39.152 397 HA PRO 49 HA PRO 49 56.316 58.267 45.114 398 HB2 PRO 49 HB2 PRO 49 57.548 56.544 43.405 399 HB3 PRO 49 HB3 PRO 49 55.992 56.117 44.206 400 HG2 PRO 49 HG2 PRO 49 56.373 57.149 41.390 401 HG3 PRO 49 HG3 PRO 49 55.391 55.758 41.993 402 HD2 PRO 49 HD2 PRO 49 54.495 58.323 41.483 403 HD3 PRO 49 HD3 PRO 49 53.694 57.244 42.679 404 H LYS 50 H LYS 50 58.715 58.462 44.854 405 HA LYS 50 HA LYS 50 59.947 59.671 42.597 406 HB2 LYS 50 HB2 LYS 50 59.518 61.375 45.077 407 HB3 LYS 50 HB3 LYS 50 60.955 61.555 44.072 408 HG2 LYS 50 HG2 LYS 50 59.105 61.665 42.114 409 HG3 LYS 50 HG3 LYS 50 58.107 62.239 43.463 410 HD2 LYS 50 HD2 LYS 50 59.778 64.014 43.943 411 HD3 LYS 50 HD3 LYS 50 60.735 63.485 42.545 412 HE2 LYS 50 HE2 LYS 50 58.695 63.794 41.116 413 HE3 LYS 50 HE3 LYS 50 57.892 64.567 42.490 414 HZ1 LYS 50 HZ1 LYS 50 58.962 66.304 41.208 415 HZ2 LYS 50 HZ2 LYS 50 59.867 66.081 42.542 416 HZ3 LYS 50 HZ3 LYS 50 60.367 65.458 41.168 417 H ASP 51 H ASP 51 61.530 58.530 42.475 418 HA ASP 51 HA ASP 51 63.084 57.098 44.267 419 HB2 ASP 51 HB2 ASP 51 63.130 57.019 41.750 420 HB3 ASP 51 HB3 ASP 51 63.916 58.621 41.757 421 H LYS 52 H LYS 52 65.339 57.430 44.936 422 HA LYS 52 HA LYS 52 65.865 59.686 46.522 423 HB2 LYS 52 HB2 LYS 52 68.097 58.739 46.695 424 HB3 LYS 52 HB3 LYS 52 66.873 57.463 46.767 425 HG2 LYS 52 HG2 LYS 52 68.171 56.394 45.302 426 HG3 LYS 52 HG3 LYS 52 67.401 57.429 44.089 427 HD2 LYS 52 HD2 LYS 52 69.302 59.038 44.274 428 HD3 LYS 52 HD3 LYS 52 70.001 58.026 45.559 429 HE2 LYS 52 HE2 LYS 52 70.327 56.201 44.021 430 HE3 LYS 52 HE3 LYS 52 69.353 57.014 42.762 431 HZ1 LYS 52 HZ1 LYS 52 71.943 57.926 43.769 432 HZ2 LYS 52 HZ2 LYS 52 71.628 57.363 42.252 433 HZ3 LYS 52 HZ3 LYS 52 70.994 58.771 42.770 434 H ASP 53 H ASP 53 66.582 59.183 43.068 435 HA ASP 53 HA ASP 53 67.955 61.750 42.980 436 HB2 ASP 53 HB2 ASP 53 68.603 59.745 41.504 437 HB3 ASP 53 HB3 ASP 53 67.170 60.108 40.550 438 H GLY 54 H GLY 54 64.704 60.762 42.844 439 HA2 GLY 54 HA2 GLY 54 63.014 62.326 43.255 440 HA3 GLY 54 HA3 GLY 54 63.909 63.567 42.399 441 H LYS 55 H LYS 55 62.657 60.245 41.551 442 HA LYS 55 HA LYS 55 61.071 61.501 39.371 443 HB2 LYS 55 HB2 LYS 55 63.293 60.881 38.616 444 HB3 LYS 55 HB3 LYS 55 62.987 59.171 39.060 445 HG2 LYS 55 HG2 LYS 55 62.485 59.094 36.804 446 HG3 LYS 55 HG3 LYS 55 60.894 59.475 37.428 447 HD2 LYS 55 HD2 LYS 55 61.165 61.044 35.726 448 HD3 LYS 55 HD3 LYS 55 61.559 61.988 37.150 449 HE2 LYS 55 HE2 LYS 55 63.998 61.583 36.804 450 HE3 LYS 55 HE3 LYS 55 63.658 60.684 35.361 451 HZ1 LYS 55 HZ1 LYS 55 64.063 62.921 34.714 452 HZ2 LYS 55 HZ2 LYS 55 62.420 62.951 34.720 453 HZ3 LYS 55 HZ3 LYS 55 63.299 63.531 35.972 454 HA PRO 56 HA PRO 56 57.995 58.645 40.886 455 HB2 PRO 56 HB2 PRO 56 56.179 58.842 38.805 456 HB3 PRO 56 HB3 PRO 56 56.422 60.052 40.120 457 HG2 PRO 56 HG2 PRO 56 57.482 60.043 37.315 458 HG3 PRO 56 HG3 PRO 56 56.769 61.399 38.242 459 HD2 PRO 56 HD2 PRO 56 59.493 61.168 38.111 460 HD3 PRO 56 HD3 PRO 56 58.695 61.647 39.624 461 H LYS 57 H LYS 57 60.185 57.705 38.710 462 HA LYS 57 HA LYS 57 60.772 55.652 37.863 463 HB2 LYS 57 HB2 LYS 57 58.620 54.614 39.729 464 HB3 LYS 57 HB3 LYS 57 59.884 53.632 39.031 465 HG2 LYS 57 HG2 LYS 57 60.985 54.060 40.967 466 HG3 LYS 57 HG3 LYS 57 61.363 55.637 40.266 467 HD2 LYS 57 HD2 LYS 57 59.526 56.706 41.362 468 HD3 LYS 57 HD3 LYS 57 58.757 55.195 41.797 469 HE2 LYS 57 HE2 LYS 57 61.413 56.259 42.797 470 HE3 LYS 57 HE3 LYS 57 59.838 56.311 43.658 471 HZ1 LYS 57 HZ1 LYS 57 59.944 53.819 43.485 472 HZ2 LYS 57 HZ2 LYS 57 61.577 53.981 43.205 473 HZ3 LYS 57 HZ3 LYS 57 60.856 54.497 44.584 474 H GLN 58 H GLN 58 58.417 57.237 36.552 475 HA GLN 58 HA GLN 58 56.972 57.144 35.029 476 HB2 GLN 58 HB2 GLN 58 58.617 54.774 34.189 477 HB3 GLN 58 HB3 GLN 58 57.158 55.264 33.294 478 HG2 GLN 58 HG2 GLN 58 58.207 57.630 33.260 479 HG3 GLN 58 HG3 GLN 58 59.671 56.881 33.913 480 HE21 GLN 58 HE21 GLN 58 57.517 57.116 31.124 481 HE22 GLN 58 HE22 GLN 58 58.695 56.392 30.013 482 H PHE 59 H PHE 59 56.043 56.368 37.428 483 HA PHE 59 HA PHE 59 53.576 54.986 36.815 484 HB2 PHE 59 HB2 PHE 59 53.868 52.984 37.699 485 HB3 PHE 59 HB3 PHE 59 55.543 53.334 37.467 486 HD1 PHE 59 HD1 PHE 59 52.919 53.191 40.261 487 HD2 PHE 59 HD2 PHE 59 57.022 53.651 39.108 488 HE1 PHE 59 HE1 PHE 59 53.622 53.025 42.647 489 HE2 PHE 59 HE2 PHE 59 57.738 53.179 41.484 490 HZ PHE 59 HZ PHE 59 56.009 52.821 43.225 491 H ALA 60 H ALA 60 52.139 54.959 38.634 492 HA ALA 60 HA ALA 60 52.470 56.563 40.999 493 HB1 ALA 60 HB1 ALA 60 50.808 58.285 40.346 494 HB2 ALA 60 HB2 ALA 60 52.234 58.338 39.302 495 HB3 ALA 60 HB3 ALA 60 50.729 57.600 38.704 496 H PHE 61 H PHE 61 50.116 56.915 41.935 497 HA PHE 61 HA PHE 61 48.279 54.649 41.371 498 HB2 PHE 61 HB2 PHE 61 49.985 55.180 43.765 499 HB3 PHE 61 HB3 PHE 61 48.363 54.689 44.132 500 HD1 PHE 61 HD2 PHE 61 51.524 53.649 42.509 501 HD2 PHE 61 HD1 PHE 61 47.564 52.441 43.649 502 HE1 PHE 61 HE2 PHE 61 52.311 51.293 42.733 503 HE2 PHE 61 HE1 PHE 61 48.336 50.095 43.868 504 HZ PHE 61 HZ PHE 61 50.747 49.551 43.575 505 H VAL 62 H VAL 62 46.160 54.833 42.152 506 HA VAL 62 HA VAL 62 45.217 57.499 43.152 507 HB VAL 62 HB VAL 62 44.375 56.025 40.655 508 HG11 VAL 62 HG11 VAL 62 42.333 56.959 41.673 509 HG12 VAL 62 HG12 VAL 62 43.086 58.570 41.730 510 HG13 VAL 62 HG13 VAL 62 42.762 57.789 40.173 511 HG21 VAL 62 HG21 VAL 62 46.378 57.562 40.329 512 HG22 VAL 62 HG22 VAL 62 44.953 57.998 39.387 513 HG23 VAL 62 HG23 VAL 62 45.364 58.916 40.847 514 H ASN 63 H ASN 63 43.966 57.185 44.846 515 HA ASN 63 HA ASN 63 42.761 54.652 45.479 516 HB2 ASN 63 HB2 ASN 63 43.660 56.436 47.104 517 HB3 ASN 63 HB3 ASN 63 42.166 57.314 46.848 518 HD21 ASN 63 HD22 ASN 63 43.669 54.536 48.344 519 HD22 ASN 63 HD21 ASN 63 42.266 54.055 49.279 520 H PHE 64 H PHE 64 40.710 53.896 45.213 521 HA PHE 64 HA PHE 64 38.659 55.539 43.859 522 HB2 PHE 64 HB2 PHE 64 38.914 54.709 41.821 523 HB3 PHE 64 HB3 PHE 64 40.578 54.650 42.305 524 HD1 PHE 64 HD1 PHE 64 41.287 52.139 43.394 525 HD2 PHE 64 HD2 PHE 64 38.124 53.055 40.611 526 HE1 PHE 64 HE1 PHE 64 41.463 49.857 42.396 527 HE2 PHE 64 HE2 PHE 64 38.173 50.752 39.767 528 HZ PHE 64 HZ PHE 64 39.798 49.108 40.713 529 H LYS 65 H LYS 65 36.601 54.743 43.874 530 HA LYS 65 HA LYS 65 35.999 52.915 46.083 531 HB2 LYS 65 HB2 LYS 65 33.820 54.018 46.137 532 HB3 LYS 65 HB3 LYS 65 35.112 55.176 46.087 533 HG2 LYS 65 HG2 LYS 65 33.494 56.077 44.726 534 HG3 LYS 65 HG3 LYS 65 34.687 55.448 43.592 535 HD2 LYS 65 HD2 LYS 65 32.370 55.121 42.867 536 HD3 LYS 65 HD3 LYS 65 33.236 53.597 43.012 537 HE2 LYS 65 HE2 LYS 65 32.062 53.327 45.300 538 HE3 LYS 65 HE3 LYS 65 31.145 54.789 44.894 539 HZ1 LYS 65 HZ1 LYS 65 29.982 52.772 44.197 540 HZ2 LYS 65 HZ2 LYS 65 30.365 53.706 42.914 541 HZ3 LYS 65 HZ3 LYS 65 31.196 52.365 43.226 542 H HIS 66 H HIS 66 36.371 52.081 42.965 543 HA HIS 66 HA HIS 66 34.000 50.351 42.884 544 HB2 HIS 66 HB2 HIS 66 34.984 51.471 40.885 545 HB3 HIS 66 HB3 HIS 66 36.299 50.303 40.901 546 HD2 HIS 66 HD2 HIS 66 34.991 50.051 38.358 547 HE1 HIS 66 HE1 HIS 66 31.765 47.722 39.829 548 HE2 HIS 66 HE2 HIS 66 32.974 48.490 37.758 549 H GLU 67 H GLU 67 33.809 48.214 43.091 550 HA GLU 67 HA GLU 67 35.840 46.984 44.870 551 HB2 GLU 67 HB2 GLU 67 32.844 46.430 44.871 552 HB3 GLU 67 HB3 GLU 67 34.083 45.656 45.858 553 HG2 GLU 67 HG2 GLU 67 34.751 47.896 46.715 554 HG3 GLU 67 HG3 GLU 67 33.351 48.601 45.879 555 H VAL 68 H VAL 68 35.086 46.850 41.733 556 HA VAL 68 HA VAL 68 35.867 44.047 41.446 557 HB VAL 68 HB VAL 68 33.213 44.755 40.923 558 HG11 VAL 68 HG11 VAL 68 32.788 44.566 38.581 559 HG12 VAL 68 HG12 VAL 68 33.958 45.881 38.812 560 HG13 VAL 68 HG13 VAL 68 34.477 44.305 38.177 561 HG21 VAL 68 HG21 VAL 68 33.913 42.612 41.548 562 HG22 VAL 68 HG22 VAL 68 33.207 42.397 39.949 563 HG23 VAL 68 HG23 VAL 68 34.981 42.431 40.146 564 H SER 69 H SER 69 36.446 43.599 39.095 565 HA SER 69 HA SER 69 38.819 45.201 38.846 566 HB2 SER 69 HB2 SER 69 38.057 42.689 37.352 567 HB3 SER 69 HB3 SER 69 39.689 43.272 37.716 568 HG SER 69 HG SER 69 38.812 41.699 39.081 569 H VAL 70 H VAL 70 36.480 46.600 37.703 570 HA VAL 70 HA VAL 70 37.299 46.724 34.823 571 HB VAL 70 HB VAL 70 35.096 47.157 34.125 572 HG11 VAL 70 HG11 VAL 70 35.269 44.632 35.866 573 HG12 VAL 70 HG12 VAL 70 34.170 44.870 34.514 574 HG13 VAL 70 HG13 VAL 70 35.912 44.845 34.216 575 HG21 VAL 70 HG21 VAL 70 34.379 47.070 37.045 576 HG22 VAL 70 HG22 VAL 70 33.836 48.184 35.754 577 HG23 VAL 70 HG23 VAL 70 33.191 46.552 35.811 578 HA PRO 71 HA PRO 71 37.929 50.814 37.135 579 HB2 PRO 71 HB2 PRO 71 40.509 51.282 36.602 580 HB3 PRO 71 HB3 PRO 71 39.927 50.139 37.857 581 HG2 PRO 71 HG2 PRO 71 40.908 49.442 35.084 582 HG3 PRO 71 HG3 PRO 71 41.357 48.724 36.666 583 HD2 PRO 71 HD2 PRO 71 39.424 47.575 35.113 584 HD3 PRO 71 HD3 PRO 71 39.313 47.613 36.893 585 H TYR 72 H TYR 72 37.050 52.504 36.213 586 HA TYR 72 HA TYR 72 36.261 52.534 33.646 587 HB2 TYR 72 HB2 TYR 72 35.592 53.970 35.757 588 HB3 TYR 72 HB3 TYR 72 36.669 55.153 35.068 589 HD1 TYR 72 HD1 TYR 72 36.154 56.076 32.786 590 HD2 TYR 72 HD2 TYR 72 33.414 53.453 34.830 591 HE1 TYR 72 HE1 TYR 72 34.270 56.997 31.468 592 HE2 TYR 72 HE2 TYR 72 31.599 54.132 33.281 593 HH TYR 72 HH TYR 72 32.059 56.565 30.847 594 H ALA 73 H ALA 73 39.293 53.995 34.781 595 HA ALA 73 HA ALA 73 39.860 55.569 32.419 596 HB1 ALA 73 HB1 ALA 73 41.372 54.726 34.908 597 HB2 ALA 73 HB2 ALA 73 42.050 55.801 33.645 598 HB3 ALA 73 HB3 ALA 73 40.584 56.265 34.560 599 H MET 74 H MET 74 40.416 52.211 33.185 600 HA MET 74 HA MET 74 42.638 51.686 31.406 601 HB2 MET 74 HB2 MET 74 41.839 50.431 33.429 602 HB3 MET 74 HB3 MET 74 40.520 49.795 32.428 603 HG2 MET 74 HG2 MET 74 42.335 48.895 30.891 604 HG3 MET 74 HG3 MET 74 43.534 49.557 32.031 605 HE1 MET 74 HE1 MET 74 43.878 45.783 32.594 606 HE2 MET 74 HE2 MET 74 43.316 46.501 31.068 607 HE3 MET 74 HE3 MET 74 44.591 47.320 32.015 608 H ASN 75 H ASN 75 39.216 52.286 30.964 609 HA ASN 75 HA ASN 75 39.313 51.605 28.039 610 HB2 ASN 75 HB2 ASN 75 37.492 50.574 29.138 611 HB3 ASN 75 HB3 ASN 75 36.988 52.066 29.928 612 HD21 ASN 75 HD22 ASN 75 35.587 53.533 28.572 613 HD22 ASN 75 HD21 ASN 75 35.137 53.071 26.940 614 H LEU 76 H LEU 76 38.884 54.313 30.287 615 HA LEU 76 HA LEU 76 38.064 56.109 28.208 616 HB2 LEU 76 HB2 LEU 76 37.536 55.914 30.790 617 HB3 LEU 76 HB3 LEU 76 39.037 56.793 30.990 618 HG LEU 76 HG LEU 76 36.730 57.930 31.112 619 HD11 LEU 76 HD11 LEU 76 38.791 59.251 29.366 620 HD12 LEU 76 HD12 LEU 76 37.522 59.989 30.392 621 HD13 LEU 76 HD13 LEU 76 38.864 59.084 31.152 622 HD21 LEU 76 HD21 LEU 76 36.104 57.058 28.643 623 HD22 LEU 76 HD22 LEU 76 35.534 58.592 29.334 624 HD23 LEU 76 HD23 LEU 76 36.893 58.584 28.205 625 H LEU 77 H LEU 77 41.177 55.570 29.858 626 HA LEU 77 HA LEU 77 42.390 57.733 28.203 627 HB2 LEU 77 HB2 LEU 77 43.392 56.830 30.896 628 HB3 LEU 77 HB3 LEU 77 44.079 58.055 29.802 629 HG LEU 77 HG LEU 77 43.216 59.276 31.487 630 HD11 LEU 77 HD11 LEU 77 41.139 59.392 29.297 631 HD12 LEU 77 HD12 LEU 77 41.041 60.370 30.779 632 HD13 LEU 77 HD13 LEU 77 42.437 60.513 29.720 633 HD21 LEU 77 HD21 LEU 77 41.050 57.250 31.700 634 HD22 LEU 77 HD22 LEU 77 42.189 57.914 32.906 635 HD23 LEU 77 HD23 LEU 77 40.823 58.879 32.414 636 H ASN 78 H ASN 78 43.919 55.129 30.078 637 HA ASN 78 HA ASN 78 45.914 53.953 29.388 638 HB2 ASN 78 HB2 ASN 78 43.943 52.706 30.128 639 HB3 ASN 78 HB3 ASN 78 43.392 52.482 28.472 640 HD21 ASN 78 HD22 ASN 78 45.444 51.383 27.135 641 HD22 ASN 78 HD21 ASN 78 46.098 49.990 27.973 642 H GLY 79 H GLY 79 46.683 55.717 27.872 643 HA2 GLY 79 HA2 GLY 79 47.914 55.001 25.602 644 HA3 GLY 79 HA3 GLY 79 46.256 55.004 25.035 645 H ILE 80 H ILE 80 47.211 57.667 27.272 646 HA ILE 80 HA ILE 80 46.961 59.587 25.009 647 HB ILE 80 HB ILE 80 45.174 60.850 26.038 648 HG12 ILE 80 HG12 ILE 80 44.082 59.465 28.126 649 HG13 ILE 80 HG13 ILE 80 45.824 59.296 28.425 650 HG21 ILE 80 HG21 ILE 80 44.352 57.948 26.040 651 HG22 ILE 80 HG22 ILE 80 43.294 59.370 25.910 652 HG23 ILE 80 HG23 ILE 80 44.457 59.042 24.624 653 HD11 ILE 80 HD11 ILE 80 44.546 62.015 27.836 654 HD12 ILE 80 HD12 ILE 80 44.580 61.352 29.460 655 HD13 ILE 80 HD13 ILE 80 46.104 61.684 28.617 656 H LYS 81 H LYS 81 47.899 61.667 25.487 657 HA LYS 81 HA LYS 81 48.720 62.309 28.178 658 HB2 LYS 81 HB2 LYS 81 51.238 62.469 27.253 659 HB3 LYS 81 HB3 LYS 81 50.567 60.978 27.894 660 HG2 LYS 81 HG2 LYS 81 51.782 60.464 25.897 661 HG3 LYS 81 HG3 LYS 81 50.095 60.187 25.570 662 HD2 LYS 81 HD2 LYS 81 49.890 62.288 24.304 663 HD3 LYS 81 HD3 LYS 81 51.501 62.786 24.846 664 HE2 LYS 81 HE2 LYS 81 52.330 60.594 23.754 665 HE3 LYS 81 HE3 LYS 81 50.702 60.340 23.188 666 HZ1 LYS 81 HZ1 LYS 81 52.101 61.398 21.468 667 HZ2 LYS 81 HZ2 LYS 81 50.855 62.354 21.827 668 HZ3 LYS 81 HZ3 LYS 81 52.335 62.688 22.411 669 H LEU 82 H LEU 82 49.858 64.211 28.470 670 HA LEU 82 HA LEU 82 49.117 66.353 26.497 671 HB2 LEU 82 HB2 LEU 82 49.297 66.860 29.470 672 HB3 LEU 82 HB3 LEU 82 48.735 67.913 28.192 673 HG LEU 82 HG LEU 82 46.787 66.339 27.791 674 HD11 LEU 82 HD11 LEU 82 48.147 64.906 30.001 675 HD12 LEU 82 HD12 LEU 82 46.379 65.070 30.166 676 HD13 LEU 82 HD13 LEU 82 47.053 64.321 28.716 677 HD21 LEU 82 HD21 LEU 82 46.377 68.395 29.025 678 HD22 LEU 82 HD22 LEU 82 45.534 67.089 29.832 679 HD23 LEU 82 HD23 LEU 82 47.065 67.699 30.511 680 H TYR 83 H TYR 83 51.594 64.670 27.270 681 HA TYR 83 HA TYR 83 53.730 66.748 27.274 682 HB2 TYR 83 HB2 TYR 83 53.655 64.290 29.037 683 HB3 TYR 83 HB3 TYR 83 55.064 65.366 28.832 684 HD1 TYR 83 HD1 TYR 83 52.998 67.884 28.999 685 HD2 TYR 83 HD2 TYR 83 53.988 64.452 31.428 686 HE1 TYR 83 HE1 TYR 83 51.769 68.864 30.903 687 HE2 TYR 83 HE2 TYR 83 52.980 65.572 33.416 688 HH TYR 83 HH TYR 83 51.202 68.618 32.968 689 H GLY 84 H GLY 84 54.029 63.199 27.495 690 HA2 GLY 84 HA2 GLY 84 54.580 62.826 24.567 691 HA3 GLY 84 HA3 GLY 84 55.935 62.706 25.704 692 H ARG 85 H ARG 85 54.852 61.370 27.815 693 HA ARG 85 HA ARG 85 54.655 58.669 26.613 694 HB2 ARG 85 HB2 ARG 85 55.446 59.661 29.357 695 HB3 ARG 85 HB3 ARG 85 55.154 57.969 28.985 696 HG2 ARG 85 HG2 ARG 85 57.390 57.978 28.680 697 HG3 ARG 85 HG3 ARG 85 56.962 58.427 27.026 698 HD2 ARG 85 HD2 ARG 85 57.291 60.849 27.682 699 HD3 ARG 85 HD3 ARG 85 57.781 60.278 29.284 700 HE ARG 85 HE ARG 85 59.393 60.337 26.838 701 HH11 ARG 85 HH11 ARG 85 58.997 58.990 30.044 702 HH12 ARG 85 HH12 ARG 85 60.733 58.757 30.225 703 HH21 ARG 85 HH21 ARG 85 61.515 59.761 27.058 704 HH22 ARG 85 HH22 ARG 85 62.179 59.253 28.541 705 HA PRO 86 HA PRO 86 50.288 58.934 27.459 706 HB2 PRO 86 HB2 PRO 86 49.579 56.450 26.444 707 HB3 PRO 86 HB3 PRO 86 49.941 57.897 25.436 708 HG2 PRO 86 HG2 PRO 86 51.786 55.610 26.182 709 HG3 PRO 86 HG3 PRO 86 51.549 56.368 24.566 710 HD2 PRO 86 HD2 PRO 86 53.618 57.103 26.033 711 HD3 PRO 86 HD3 PRO 86 52.604 58.357 25.234 712 H ILE 87 H ILE 87 49.128 58.606 29.266 713 HA ILE 87 HA ILE 87 50.035 56.982 31.413 714 HB ILE 87 HB ILE 87 47.422 58.350 30.754 715 HG12 ILE 87 HG12 ILE 87 49.130 59.884 31.523 716 HG13 ILE 87 HG13 ILE 87 47.959 59.659 32.831 717 HG21 ILE 87 HG21 ILE 87 46.590 56.500 31.885 718 HG22 ILE 87 HG22 ILE 87 47.911 56.507 33.078 719 HG23 ILE 87 HG23 ILE 87 46.648 57.786 33.088 720 HD11 ILE 87 HD11 ILE 87 49.534 58.135 33.969 721 HD12 ILE 87 HD12 ILE 87 50.745 58.499 32.692 722 HD13 ILE 87 HD13 ILE 87 50.139 59.788 33.736 723 H LYS 88 H LYS 88 49.988 54.907 31.748 724 HA LYS 88 HA LYS 88 48.047 53.125 30.368 725 HB2 LYS 88 HB2 LYS 88 50.390 52.725 29.838 726 HB3 LYS 88 HB3 LYS 88 50.807 52.543 31.552 727 HG2 LYS 88 HG2 LYS 88 50.667 50.394 30.444 728 HG3 LYS 88 HG3 LYS 88 49.510 50.539 31.769 729 HD2 LYS 88 HD2 LYS 88 47.679 50.930 30.238 730 HD3 LYS 88 HD3 LYS 88 48.772 51.025 28.852 731 HE2 LYS 88 HE2 LYS 88 48.540 48.551 30.630 732 HE3 LYS 88 HE3 LYS 88 47.538 48.814 29.181 733 HZ1 LYS 88 HZ1 LYS 88 49.109 47.916 28.079 734 HZ2 LYS 88 HZ2 LYS 88 50.048 49.207 28.287 735 HZ3 LYS 88 HZ3 LYS 88 50.182 47.868 29.267 736 H ILE 89 H ILE 89 46.384 52.476 31.669 737 HA ILE 89 HA ILE 89 46.719 52.479 34.621 738 HB ILE 89 HB ILE 89 44.334 52.112 32.804 739 HG12 ILE 89 HG12 ILE 89 43.764 54.291 34.357 740 HG13 ILE 89 HG13 ILE 89 45.514 54.431 34.356 741 HG21 ILE 89 HG21 ILE 89 44.426 52.164 35.829 742 HG22 ILE 89 HG22 ILE 89 42.938 52.115 34.823 743 HG23 ILE 89 HG23 ILE 89 44.026 50.747 34.834 744 HD11 ILE 89 HD11 ILE 89 43.916 54.061 31.799 745 HD12 ILE 89 HD12 ILE 89 44.258 55.661 32.483 746 HD13 ILE 89 HD13 ILE 89 45.596 54.612 31.953 747 H GLN 90 H GLN 90 46.670 50.566 35.861 748 HA GLN 90 HA GLN 90 46.028 47.992 34.562 749 HB2 GLN 90 HB2 GLN 90 48.523 48.501 36.232 750 HB3 GLN 90 HB3 GLN 90 47.912 46.906 35.847 751 HG2 GLN 90 HG2 GLN 90 48.590 48.929 33.708 752 HG3 GLN 90 HG3 GLN 90 49.797 47.845 34.423 753 HE21 GLN 90 HE22 GLN 90 46.964 48.069 32.360 754 HE22 GLN 90 HE21 GLN 90 47.083 46.452 31.656 755 H PHE 91 H PHE 91 45.728 46.335 36.209 756 HA PHE 91 HA PHE 91 44.804 47.279 38.839 757 HB2 PHE 91 HB2 PHE 91 42.868 45.890 38.816 758 HB3 PHE 91 HB3 PHE 91 42.781 47.121 37.581 759 HD1 PHE 91 HD2 PHE 91 42.847 43.481 38.255 760 HD2 PHE 91 HD1 PHE 91 42.734 46.498 35.197 761 HE1 PHE 91 HE2 PHE 91 41.927 41.823 36.658 762 HE2 PHE 91 HE1 PHE 91 41.771 44.820 33.596 763 HZ PHE 91 HZ PHE 91 41.353 42.499 34.343 764 H ARG 92 H ARG 92 44.595 45.741 40.457 765 HA ARG 92 HA ARG 92 46.478 43.439 40.324 766 HB2 ARG 92 HB2 ARG 92 46.063 45.418 42.593 767 HB3 ARG 92 HB3 ARG 92 47.213 44.088 42.561 768 HG2 ARG 92 HG2 ARG 92 47.349 46.621 40.866 769 HG3 ARG 92 HG3 ARG 92 48.315 46.208 42.286 770 HD2 ARG 92 HD2 ARG 92 49.343 44.339 41.068 771 HD3 ARG 92 HD3 ARG 92 48.265 44.649 39.680 772 HE ARG 92 HE ARG 92 50.301 46.655 40.634 773 HH11 ARG 92 HH11 ARG 92 49.116 44.587 38.005 774 HH12 ARG 92 HH12 ARG 92 50.275 45.231 36.886 775 HH21 ARG 92 HH21 ARG 92 51.781 47.431 38.938 776 HH22 ARG 92 HH22 ARG 92 51.570 46.669 37.380 777 H SER 93 H SER 93 43.305 43.526 40.258 778 HA SER 93 HA SER 93 42.644 42.184 42.738 779 HB2 SER 93 HB2 SER 93 40.968 41.878 40.262 780 HB3 SER 93 HB3 SER 93 40.509 42.029 41.969 781 HG SER 93 HG SER 93 40.185 43.963 41.361 782 H GLY 94 H GLY 94 42.778 39.965 43.194 783 HA2 GLY 94 HA2 GLY 94 43.442 37.736 42.921 784 HA3 GLY 94 HA3 GLY 94 43.260 37.930 41.200 785 H SER 95 H SER 95 45.072 37.156 40.374 786 HA SER 95 HA SER 95 47.787 37.844 41.484 787 HB2 SER 95 HB2 SER 95 46.697 35.144 40.669 788 HB3 SER 95 HB3 SER 95 48.375 35.507 41.112 789 HG SER 95 HG SER 95 47.643 35.210 43.088 790 H SER 96 H SER 96 49.212 38.556 39.910 791 HA SER 96 HA SER 96 48.608 38.550 37.065 792 HB2 SER 96 HB2 SER 96 51.381 38.827 38.266 793 HB3 SER 96 HB3 SER 96 50.823 39.403 36.689 794 HG SER 96 HG SER 96 50.205 40.384 39.161 795 H HIS 97 H HIS 97 50.302 36.290 39.148 796 HA HIS 97 HA HIS 97 51.172 34.573 36.847 797 HB2 HIS 97 HB2 HIS 97 52.487 35.141 39.502 798 HB3 HIS 97 HB3 HIS 97 53.056 33.919 38.349 799 HD2 HIS 97 HD2 HIS 97 54.432 34.871 36.184 800 HE1 HIS 97 HE1 HIS 97 54.001 39.025 37.027 801 HE2 HIS 97 HE2 HIS 97 55.066 37.343 35.483 802 H ALA 98 H ALA 98 51.271 32.166 37.447 803 HA ALA 98 HA ALA 98 48.991 31.513 39.252 804 HB1 ALA 98 HB1 ALA 98 50.002 30.237 36.676 805 HB2 ALA 98 HB2 ALA 98 48.803 29.479 37.727 806 HB3 ALA 98 HB3 ALA 98 48.420 31.017 36.935 807 HA PRO 99 HA PRO 99 51.793 28.760 41.520 808 HB2 PRO 99 HB2 PRO 99 50.142 26.760 42.263 809 HB3 PRO 99 HB3 PRO 99 50.066 28.399 42.992 810 HG2 PRO 99 HG2 PRO 99 48.366 27.301 40.726 811 HG3 PRO 99 HG3 PRO 99 47.797 28.099 42.230 812 HD2 PRO 99 HD2 PRO 99 48.065 29.496 39.942 813 HD3 PRO 99 HD3 PRO 99 48.545 30.218 41.492 814 H GLN 100 H GLN 100 52.839 26.690 41.173 815 HA GLN 100 HA GLN 100 52.677 25.568 38.468 816 HB2 GLN 100 HB2 GLN 100 54.795 26.405 39.230 817 HB3 GLN 100 HB3 GLN 100 54.706 25.548 40.737 818 HG2 GLN 100 HG2 GLN 100 56.271 24.400 39.330 819 HG3 GLN 100 HG3 GLN 100 54.878 23.398 39.657 820 HE21 GLN 100 HE22 GLN 100 54.856 22.033 37.923 821 HE22 GLN 100 HE21 GLN 100 54.656 22.628 36.278 822 H ASP 101 H ASP 101 52.092 24.615 41.769 823 HA ASP 101 HA ASP 101 50.762 22.063 40.988 824 HB2 ASP 101 HB2 ASP 101 52.690 21.531 42.366 825 HB3 ASP 101 HB3 ASP 101 52.228 22.674 43.599 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 24.030 17.585 37.637 2 H2 GLY 1 H2 GLY 1 25.316 18.382 38.228 3 H3 GLY 1 H3 GLY 1 25.516 17.437 36.924 4 HA2 GLY 1 HA2 GLY 1 23.709 19.761 36.885 5 HA3 GLY 1 HA3 GLY 1 25.430 19.864 36.470 6 H SER 2 H SER 2 23.289 20.395 34.654 7 HA SER 2 HA SER 2 24.082 18.497 32.472 8 HB2 SER 2 HB2 SER 2 21.334 19.805 32.648 9 HB3 SER 2 HB3 SER 2 21.907 18.728 31.399 10 HG SER 2 HG SER 2 20.701 17.774 33.108 11 H GLU 3 H GLU 3 24.157 21.655 33.611 12 HA GLU 3 HA GLU 3 23.347 23.055 31.201 13 HB2 GLU 3 HB2 GLU 3 24.319 24.133 33.858 14 HB3 GLU 3 HB3 GLU 3 23.531 25.012 32.557 15 HG2 GLU 3 HG2 GLU 3 21.631 24.585 33.805 16 HG3 GLU 3 HG3 GLU 3 21.620 23.136 32.843 17 H PHE 4 H PHE 4 24.571 23.708 29.594 18 HA PHE 4 HA PHE 4 27.532 23.524 29.886 19 HB2 PHE 4 HB2 PHE 4 26.272 21.857 28.432 20 HB3 PHE 4 HB3 PHE 4 25.789 23.195 27.420 21 HD1 PHE 4 HD2 PHE 4 28.775 21.319 28.710 22 HD2 PHE 4 HD1 PHE 4 27.268 24.069 25.756 23 HE1 PHE 4 HE2 PHE 4 30.885 21.104 27.425 24 HE2 PHE 4 HE1 PHE 4 29.439 23.923 24.533 25 HZ PHE 4 HZ PHE 4 31.222 22.431 25.350 26 H GLU 5 H GLU 5 24.962 25.674 28.900 27 HA GLU 5 HA GLU 5 26.737 27.419 27.251 28 HB2 GLU 5 HB2 GLU 5 23.762 26.951 27.563 29 HB3 GLU 5 HB3 GLU 5 24.363 28.243 26.544 30 HG2 GLU 5 HG2 GLU 5 25.526 26.669 25.081 31 HG3 GLU 5 HG3 GLU 5 25.161 25.326 26.164 32 H LEU 6 H LEU 6 25.459 27.473 30.376 33 HA LEU 6 HA LEU 6 25.036 30.332 30.499 34 HB2 LEU 6 HB2 LEU 6 25.643 28.254 32.641 35 HB3 LEU 6 HB3 LEU 6 25.169 29.913 32.977 36 HG LEU 6 HG LEU 6 23.548 27.718 31.594 37 HD11 LEU 6 HD11 LEU 6 22.104 27.774 33.554 38 HD12 LEU 6 HD12 LEU 6 23.775 27.633 34.109 39 HD13 LEU 6 HD13 LEU 6 22.934 29.203 34.177 40 HD21 LEU 6 HD21 LEU 6 22.718 30.597 32.016 41 HD22 LEU 6 HD22 LEU 6 22.785 29.646 30.499 42 HD23 LEU 6 HD23 LEU 6 21.584 29.259 31.744 43 H ARG 7 H ARG 7 26.401 31.816 31.746 44 HA ARG 7 HA ARG 7 29.281 31.505 31.072 45 HB2 ARG 7 HB2 ARG 7 27.591 34.036 31.040 46 HB3 ARG 7 HB3 ARG 7 29.276 33.819 30.518 47 HG2 ARG 7 HG2 ARG 7 28.306 33.729 28.449 48 HG3 ARG 7 HG3 ARG 7 28.089 32.045 28.877 49 HD2 ARG 7 HD2 ARG 7 26.109 32.923 27.866 50 HD3 ARG 7 HD3 ARG 7 25.791 32.390 29.522 51 HE ARG 7 HE ARG 7 26.128 35.231 29.608 52 HH11 ARG 7 HH11 ARG 7 24.051 32.860 28.118 53 HH12 ARG 7 HH12 ARG 7 22.647 33.908 28.199 54 HH21 ARG 7 HH21 ARG 7 24.259 36.509 29.681 55 HH22 ARG 7 HH22 ARG 7 22.795 35.897 28.937 56 H ARG 8 H ARG 8 30.781 32.291 32.447 57 HA ARG 8 HA ARG 8 30.199 33.968 34.757 58 HB2 ARG 8 HB2 ARG 8 31.152 32.434 36.428 59 HB3 ARG 8 HB3 ARG 8 29.766 31.694 35.677 60 HG2 ARG 8 HG2 ARG 8 31.112 30.222 34.335 61 HG3 ARG 8 HG3 ARG 8 32.614 31.100 34.715 62 HD2 ARG 8 HD2 ARG 8 32.355 30.501 37.081 63 HD3 ARG 8 HD3 ARG 8 30.862 29.633 36.695 64 HE ARG 8 HE ARG 8 32.269 28.041 35.281 65 HH11 ARG 8 HH11 ARG 8 33.966 29.922 37.745 66 HH12 ARG 8 HH12 ARG 8 35.039 28.594 38.070 67 HH21 ARG 8 HH21 ARG 8 33.399 26.318 36.099 68 HH22 ARG 8 HH22 ARG 8 34.511 26.586 37.437 69 H GLN 9 H GLN 9 32.084 34.724 35.810 70 HA GLN 9 HA GLN 9 34.211 35.512 34.079 71 HB2 GLN 9 HB2 GLN 9 33.977 35.407 37.111 72 HB3 GLN 9 HB3 GLN 9 35.389 36.058 36.295 73 HG2 GLN 9 HG2 GLN 9 33.965 37.731 35.110 74 HG3 GLN 9 HG3 GLN 9 32.562 37.164 36.011 75 HE21 GLN 9 HE22 GLN 9 32.703 37.316 38.460 76 HE22 GLN 9 HE21 GLN 9 33.719 38.572 39.157 77 H GLN 10 H GLN 10 36.511 35.095 34.384 78 HA GLN 10 HA GLN 10 37.391 32.408 34.212 79 HB2 GLN 10 HB2 GLN 10 39.616 33.320 34.449 80 HB3 GLN 10 HB3 GLN 10 38.667 34.393 33.414 81 HG2 GLN 10 HG2 GLN 10 38.581 36.119 34.965 82 HG3 GLN 10 HG3 GLN 10 39.042 35.132 36.349 83 HE21 GLN 10 HE22 GLN 10 40.471 36.018 33.133 84 HE22 GLN 10 HE21 GLN 10 42.081 36.233 33.826 85 H ALA 11 H ALA 11 37.071 34.537 36.990 86 HA ALA 11 HA ALA 11 36.901 32.358 38.840 87 HB1 ALA 11 HB1 ALA 11 38.917 32.907 40.126 88 HB2 ALA 11 HB2 ALA 11 39.365 32.503 38.458 89 HB3 ALA 11 HB3 ALA 11 39.341 34.200 38.967 90 H LEU 12 H LEU 12 36.576 33.216 41.032 91 HA LEU 12 HA LEU 12 34.928 35.541 41.112 92 HB2 LEU 12 HB2 LEU 12 34.669 34.997 43.484 93 HB3 LEU 12 HB3 LEU 12 34.516 33.614 42.435 94 HG LEU 12 HG LEU 12 36.619 32.682 43.105 95 HD11 LEU 12 HD11 LEU 12 36.946 35.238 44.756 96 HD12 LEU 12 HD12 LEU 12 37.927 33.795 45.026 97 HD13 LEU 12 HD13 LEU 12 38.049 34.650 43.490 98 HD21 LEU 12 HD21 LEU 12 35.215 33.608 45.615 99 HD22 LEU 12 HD22 LEU 12 34.597 32.334 44.530 100 HD23 LEU 12 HD23 LEU 12 36.148 32.118 45.350 101 H ALA 13 H ALA 13 35.201 37.455 42.440 102 HA ALA 13 HA ALA 13 37.939 38.396 42.891 103 HB1 ALA 13 HB1 ALA 13 37.534 40.319 41.394 104 HB2 ALA 13 HB2 ALA 13 37.385 38.764 40.524 105 HB3 ALA 13 HB3 ALA 13 35.924 39.668 41.000 106 H GLU 14 H GLU 14 37.829 40.791 43.626 107 HA GLU 14 HA GLU 14 35.854 40.934 45.831 108 HB2 GLU 14 HB2 GLU 14 37.999 39.383 46.114 109 HB3 GLU 14 HB3 GLU 14 38.826 40.898 46.432 110 HG2 GLU 14 HG2 GLU 14 37.246 41.377 48.273 111 HG3 GLU 14 HG3 GLU 14 36.269 39.971 47.829 112 H ALA 15 H ALA 15 36.961 42.928 47.401 113 HA ALA 15 HA ALA 15 36.690 45.195 45.657 114 HB1 ALA 15 HB1 ALA 15 35.591 45.351 47.698 115 HB2 ALA 15 HB2 ALA 15 37.028 44.814 48.629 116 HB3 ALA 15 HB3 ALA 15 37.001 46.418 47.869 117 H ASP 16 H ASP 16 38.073 46.871 45.341 118 HA ASP 16 HA ASP 16 40.637 47.198 46.596 119 HB2 ASP 16 HB2 ASP 16 41.108 45.773 44.402 120 HB3 ASP 16 HB3 ASP 16 40.622 47.225 43.543 121 H ARG 17 H ARG 17 40.767 49.352 47.079 122 HA ARG 17 HA ARG 17 38.966 51.302 45.761 123 HB2 ARG 17 HB2 ARG 17 40.826 51.492 48.188 124 HB3 ARG 17 HB3 ARG 17 40.045 52.888 47.512 125 HG2 ARG 17 HG2 ARG 17 38.490 50.643 48.798 126 HG3 ARG 17 HG3 ARG 17 38.938 52.210 49.480 127 HD2 ARG 17 HD2 ARG 17 37.735 53.405 47.703 128 HD3 ARG 17 HD3 ARG 17 37.288 51.890 46.944 129 HE ARG 17 HE ARG 17 35.989 51.396 49.160 130 HH11 ARG 17 HH11 ARG 17 36.518 54.738 48.141 131 HH12 ARG 17 HH12 ARG 17 34.894 55.151 48.714 132 HH21 ARG 17 HH21 ARG 17 33.956 52.045 49.478 133 HH22 ARG 17 HH22 ARG 17 33.481 53.747 49.329 134 H THR 18 H THR 18 42.133 50.292 45.163 135 HA THR 18 HA THR 18 43.002 53.032 44.376 136 HB THR 18 HB THR 18 44.967 51.053 45.479 137 HG1 THR 18 HG1 THR 18 43.602 51.358 47.207 138 HG21 THR 18 HG21 THR 18 45.506 53.334 44.263 139 HG22 THR 18 HG22 THR 18 44.849 54.073 45.734 140 HG23 THR 18 HG23 THR 18 46.286 53.028 45.827 141 H LEU 19 H LEU 19 43.817 53.200 42.376 142 HA LEU 19 HA LEU 19 43.779 50.857 40.594 143 HB2 LEU 19 HB2 LEU 19 42.337 52.883 40.351 144 HB3 LEU 19 HB3 LEU 19 43.798 53.873 40.186 145 HG LEU 19 HG LEU 19 44.304 52.819 38.034 146 HD11 LEU 19 HD11 LEU 19 43.305 50.577 38.350 147 HD12 LEU 19 HD12 LEU 19 41.713 51.313 38.617 148 HD13 LEU 19 HD13 LEU 19 42.485 51.374 37.007 149 HD21 LEU 19 HD21 LEU 19 42.293 53.777 36.847 150 HD22 LEU 19 HD22 LEU 19 41.442 53.836 38.415 151 HD23 LEU 19 HD23 LEU 19 42.852 54.844 38.156 152 H PHE 20 H PHE 20 45.613 50.218 39.302 153 HA PHE 20 HA PHE 20 48.128 51.549 40.040 154 HB2 PHE 20 HB2 PHE 20 47.847 49.047 39.984 155 HB3 PHE 20 HB3 PHE 20 47.893 49.162 38.221 156 HD1 PHE 20 HD1 PHE 20 50.111 50.145 37.135 157 HD2 PHE 20 HD2 PHE 20 49.721 49.186 41.318 158 HE1 PHE 20 HE1 PHE 20 52.576 50.330 37.429 159 HE2 PHE 20 HE2 PHE 20 52.155 49.507 41.623 160 HZ PHE 20 HZ PHE 20 53.575 50.175 39.660 161 H VAL 21 H VAL 21 49.359 52.776 38.711 162 HA VAL 21 HA VAL 21 48.580 53.035 35.847 163 HB VAL 21 HB VAL 21 49.236 55.383 37.664 164 HG11 VAL 21 HG11 VAL 21 47.786 55.110 34.996 165 HG12 VAL 21 HG12 VAL 21 48.330 56.637 35.755 166 HG13 VAL 21 HG13 VAL 21 49.503 55.493 35.066 167 HG21 VAL 21 HG21 VAL 21 47.027 54.529 38.473 168 HG22 VAL 21 HG22 VAL 21 46.835 56.003 37.545 169 HG23 VAL 21 HG23 VAL 21 46.462 54.430 36.803 170 H GLY 22 H GLY 22 50.301 52.874 34.500 171 HA2 GLY 22 HA2 GLY 22 53.073 53.478 35.448 172 HA3 GLY 22 HA3 GLY 22 52.775 52.026 34.572 173 H ASN 23 H ASN 23 54.475 53.466 33.289 174 HA ASN 23 HA ASN 23 55.039 54.357 31.340 175 HB2 ASN 23 HB2 ASN 23 52.776 53.111 30.629 176 HB3 ASN 23 HB3 ASN 23 52.224 54.760 30.396 177 HD21 ASN 23 HD21 ASN 23 52.145 54.738 28.217 178 HD22 ASN 23 HD22 ASN 23 53.529 54.477 27.140 179 H LEU 24 H LEU 24 53.956 55.927 33.695 180 HA LEU 24 HA LEU 24 53.112 58.520 32.909 181 HB2 LEU 24 HB2 LEU 24 54.971 57.799 35.251 182 HB3 LEU 24 HB3 LEU 24 54.220 59.313 35.014 183 HG LEU 24 HG LEU 24 53.350 57.626 36.782 184 HD11 LEU 24 HD11 LEU 24 51.645 59.282 34.947 185 HD12 LEU 24 HD12 LEU 24 50.888 58.347 36.254 186 HD13 LEU 24 HD13 LEU 24 52.094 59.561 36.669 187 HD21 LEU 24 HD21 LEU 24 52.958 55.736 35.147 188 HD22 LEU 24 HD22 LEU 24 51.584 56.187 36.202 189 HD23 LEU 24 HD23 LEU 24 51.625 56.690 34.482 190 H GLU 25 H GLU 25 54.114 60.362 32.374 191 HA GLU 25 HA GLU 25 56.534 60.483 31.258 192 HB2 GLU 25 HB2 GLU 25 54.666 62.560 32.534 193 HB3 GLU 25 HB3 GLU 25 56.249 63.097 32.110 194 HG2 GLU 25 HG2 GLU 25 55.317 63.553 30.211 195 HG3 GLU 25 HG3 GLU 25 55.713 61.914 29.783 196 H THR 26 H THR 26 58.290 62.005 31.634 197 HA THR 26 HA THR 26 59.941 61.167 33.898 198 HB THR 26 HB THR 26 61.708 62.362 32.788 199 HG1 THR 26 HG1 THR 26 61.304 63.624 31.114 200 HG21 THR 26 HG21 THR 26 59.918 61.144 30.606 201 HG22 THR 26 HG22 THR 26 61.652 61.391 30.475 202 HG23 THR 26 HG23 THR 26 61.010 60.209 31.643 203 H LYS 27 H LYS 27 57.850 63.671 32.901 204 HA LYS 27 HA LYS 27 58.363 65.487 35.200 205 HB2 LYS 27 HB2 LYS 27 57.691 65.953 32.278 206 HB3 LYS 27 HB3 LYS 27 57.585 67.251 33.443 207 HG2 LYS 27 HG2 LYS 27 60.217 65.720 33.250 208 HG3 LYS 27 HG3 LYS 27 59.799 66.822 31.976 209 HD2 LYS 27 HD2 LYS 27 61.236 67.680 33.934 210 HD3 LYS 27 HD3 LYS 27 59.919 68.690 33.286 211 HE2 LYS 27 HE2 LYS 27 58.436 67.961 35.075 212 HE3 LYS 27 HE3 LYS 27 59.752 67.004 35.824 213 HZ1 LYS 27 HZ1 LYS 27 59.215 69.269 36.732 214 HZ2 LYS 27 HZ2 LYS 27 60.780 69.009 36.452 215 HZ3 LYS 27 HZ3 LYS 27 59.917 69.902 35.403 216 H VAL 28 H VAL 28 56.334 63.123 34.891 217 HA VAL 28 HA VAL 28 53.703 64.312 34.945 218 HB VAL 28 HB VAL 28 54.254 61.848 34.599 219 HG11 VAL 28 HG11 VAL 28 54.088 60.474 36.785 220 HG12 VAL 28 HG12 VAL 28 55.647 61.206 36.376 221 HG13 VAL 28 HG13 VAL 28 54.581 61.938 37.618 222 HG21 VAL 28 HG21 VAL 28 52.116 61.826 36.624 223 HG22 VAL 28 HG22 VAL 28 51.948 63.070 35.377 224 HG23 VAL 28 HG23 VAL 28 52.177 61.383 34.896 225 H THR 29 H THR 29 52.262 64.319 36.855 226 HA THR 29 HA THR 29 53.338 64.467 39.496 227 HB THR 29 HB THR 29 52.466 66.740 40.062 228 HG1 THR 29 HG1 THR 29 52.413 67.070 37.320 229 HG21 THR 29 HG21 THR 29 54.747 66.869 38.075 230 HG22 THR 29 HG22 THR 29 54.384 67.962 39.431 231 HG23 THR 29 HG23 THR 29 54.785 66.254 39.754 232 H GLU 30 H GLU 30 51.639 65.122 41.079 233 HA GLU 30 HA GLU 30 49.240 63.675 40.693 234 HB2 GLU 30 HB2 GLU 30 49.738 65.763 42.878 235 HB3 GLU 30 HB3 GLU 30 48.595 64.414 42.912 236 HG2 GLU 30 HG2 GLU 30 50.585 62.857 42.798 237 HG3 GLU 30 HG3 GLU 30 51.627 64.283 42.870 238 H GLU 31 H GLU 31 49.943 67.100 40.113 239 HA GLU 31 HA GLU 31 47.212 68.020 39.764 240 HB2 GLU 31 HB2 GLU 31 49.908 68.834 38.623 241 HB3 GLU 31 HB3 GLU 31 48.397 69.637 38.151 242 HG2 GLU 31 HG2 GLU 31 48.022 69.964 40.683 243 HG3 GLU 31 HG3 GLU 31 49.759 69.666 40.808 244 H LEU 32 H LEU 32 49.543 66.554 37.431 245 HA LEU 32 HA LEU 32 47.673 66.826 35.218 246 HB2 LEU 32 HB2 LEU 32 50.032 66.620 34.701 247 HB3 LEU 32 HB3 LEU 32 50.125 65.061 35.532 248 HG LEU 32 HG LEU 32 48.746 64.001 33.799 249 HD11 LEU 32 HD11 LEU 32 48.718 66.671 32.322 250 HD12 LEU 32 HD12 LEU 32 48.018 65.112 31.795 251 HD13 LEU 32 HD13 LEU 32 47.317 65.973 33.149 252 HD21 LEU 32 HD21 LEU 32 51.121 64.035 33.561 253 HD22 LEU 32 HD22 LEU 32 50.419 64.199 31.956 254 HD23 LEU 32 HD23 LEU 32 51.074 65.635 32.757 255 H LEU 33 H LEU 33 48.564 64.125 37.372 256 HA LEU 33 HA LEU 33 46.718 62.226 36.277 257 HB2 LEU 33 HB2 LEU 33 47.962 62.585 39.024 258 HB3 LEU 33 HB3 LEU 33 47.050 61.128 38.533 259 HG LEU 33 HG LEU 33 49.759 62.076 37.541 260 HD11 LEU 33 HD11 LEU 33 48.939 59.418 38.727 261 HD12 LEU 33 HD12 LEU 33 50.577 60.054 38.348 262 HD13 LEU 33 HD13 LEU 33 49.632 60.774 39.653 263 HD21 LEU 33 HD21 LEU 33 49.520 59.975 35.996 264 HD22 LEU 33 HD22 LEU 33 47.756 60.206 36.287 265 HD23 LEU 33 HD23 LEU 33 48.710 61.465 35.537 266 H PHE 34 H PHE 34 46.232 64.608 38.922 267 HA PHE 34 HA PHE 34 43.609 63.709 39.546 268 HB2 PHE 34 HB2 PHE 34 45.036 65.250 40.887 269 HB3 PHE 34 HB3 PHE 34 44.681 66.541 39.743 270 HD1 PHE 34 HD2 PHE 34 43.417 64.047 42.137 271 HD2 PHE 34 HD1 PHE 34 42.256 67.475 39.792 272 HE1 PHE 34 HE2 PHE 34 41.258 64.158 43.358 273 HE2 PHE 34 HE1 PHE 34 40.138 67.628 41.100 274 HZ PHE 34 HZ PHE 34 39.670 66.007 42.894 275 H GLU 35 H GLU 35 44.692 66.157 37.165 276 HA GLU 35 HA GLU 35 42.049 66.850 36.255 277 HB2 GLU 35 HB2 GLU 35 43.570 68.573 36.015 278 HB3 GLU 35 HB3 GLU 35 44.902 67.512 35.572 279 HG2 GLU 35 HG2 GLU 35 44.121 67.241 33.338 280 HG3 GLU 35 HG3 GLU 35 42.602 68.073 33.700 281 H LEU 36 H LEU 36 44.204 64.324 35.432 282 HA LEU 36 HA LEU 36 42.841 63.602 32.899 283 HB2 LEU 36 HB2 LEU 36 45.252 63.503 32.888 284 HB3 LEU 36 HB3 LEU 36 45.277 62.523 34.339 285 HG LEU 36 HG LEU 36 43.877 61.457 31.857 286 HD11 LEU 36 HD11 LEU 36 46.872 61.471 32.296 287 HD12 LEU 36 HD12 LEU 36 45.978 60.432 31.149 288 HD13 LEU 36 HD13 LEU 36 45.945 62.198 30.957 289 HD21 LEU 36 HD21 LEU 36 43.643 59.974 33.691 290 HD22 LEU 36 HD22 LEU 36 45.057 59.325 32.869 291 HD23 LEU 36 HD23 LEU 36 45.264 60.333 34.319 292 H PHE 37 H PHE 37 43.374 62.032 36.150 293 HA PHE 37 HA PHE 37 41.545 59.946 35.425 294 HB2 PHE 37 HB2 PHE 37 42.952 60.608 38.041 295 HB3 PHE 37 HB3 PHE 37 41.795 59.302 37.875 296 HD1 PHE 37 HD2 PHE 37 42.033 57.634 36.047 297 HD2 PHE 37 HD1 PHE 37 45.287 60.095 37.415 298 HE1 PHE 37 HE2 PHE 37 43.635 55.978 35.181 299 HE2 PHE 37 HE1 PHE 37 46.911 58.460 36.395 300 HZ PHE 37 HZ PHE 37 46.086 56.506 35.172 301 H HIS 38 H HIS 38 40.932 63.181 36.692 302 HA HIS 38 HA HIS 38 38.348 62.601 37.732 303 HB2 HIS 38 HB2 HIS 38 39.486 64.761 38.075 304 HB3 HIS 38 HB3 HIS 38 39.363 65.114 36.340 305 HD2 HIS 38 HD2 HIS 38 36.764 63.942 39.034 306 HE1 HIS 38 HE1 HIS 38 35.143 67.366 37.128 307 HE2 HIS 38 HE2 HIS 38 34.697 65.474 38.768 308 H GLN 39 H GLN 39 39.345 62.715 34.324 309 HA GLN 39 HA GLN 39 36.647 62.634 33.260 310 HB2 GLN 39 HB2 GLN 39 39.230 61.400 32.253 311 HB3 GLN 39 HB3 GLN 39 37.704 61.477 31.355 312 HG2 GLN 39 HG2 GLN 39 37.794 63.975 31.450 313 HG3 GLN 39 HG3 GLN 39 39.368 63.839 32.306 314 HE21 GLN 39 HE22 GLN 39 38.039 62.049 29.494 315 HE22 GLN 39 HE21 GLN 39 39.373 62.474 28.423 316 H ALA 40 H ALA 40 38.627 60.168 34.867 317 HA ALA 40 HA ALA 40 36.941 57.968 33.912 318 HB1 ALA 40 HB1 ALA 40 39.320 58.010 35.816 319 HB2 ALA 40 HB2 ALA 40 38.516 56.566 35.189 320 HB3 ALA 40 HB3 ALA 40 39.378 57.653 34.074 321 H GLY 41 H GLY 41 36.564 60.279 36.230 322 HA2 GLY 41 HA2 GLY 41 34.311 60.340 37.240 323 HA3 GLY 41 HA3 GLY 41 34.446 58.619 37.562 324 HA PRO 42 HA PRO 42 35.142 61.055 41.265 325 HB2 PRO 42 HB2 PRO 42 34.130 59.423 43.220 326 HB3 PRO 42 HB3 PRO 42 33.196 60.452 42.097 327 HG2 PRO 42 HG2 PRO 42 33.659 57.494 41.912 328 HG3 PRO 42 HG3 PRO 42 32.178 58.435 41.578 329 HD2 PRO 42 HD2 PRO 42 33.873 57.594 39.576 330 HD3 PRO 42 HD3 PRO 42 32.897 59.071 39.470 331 H VAL 43 H VAL 43 37.369 61.129 41.070 332 HA VAL 43 HA VAL 43 39.156 59.222 42.347 333 HB VAL 43 HB VAL 43 39.651 62.052 41.348 334 HG11 VAL 43 HG11 VAL 43 41.561 60.050 42.601 335 HG12 VAL 43 HG12 VAL 43 42.075 61.483 41.669 336 HG13 VAL 43 HG13 VAL 43 41.183 61.695 43.165 337 HG21 VAL 43 HG21 VAL 43 41.105 60.884 39.682 338 HG22 VAL 43 HG22 VAL 43 40.402 59.339 40.195 339 HG23 VAL 43 HG23 VAL 43 39.385 60.604 39.464 340 H ILE 44 H ILE 44 39.733 59.173 44.517 341 HA ILE 44 HA ILE 44 38.806 61.185 46.506 342 HB ILE 44 HB ILE 44 40.280 58.538 46.885 343 HG12 ILE 44 HG12 ILE 44 37.370 59.260 47.090 344 HG13 ILE 44 HG13 ILE 44 38.183 57.923 46.278 345 HG21 ILE 44 HG21 ILE 44 39.177 60.285 49.113 346 HG22 ILE 44 HG22 ILE 44 40.148 58.805 49.235 347 HG23 ILE 44 HG23 ILE 44 40.881 60.268 48.634 348 HD11 ILE 44 HD11 ILE 44 36.854 57.171 48.231 349 HD12 ILE 44 HD12 ILE 44 38.564 56.759 48.369 350 HD13 ILE 44 HD13 ILE 44 37.870 58.107 49.312 351 H LYS 45 H LYS 45 41.923 59.833 45.394 352 HA LYS 45 HA LYS 45 43.426 62.254 45.847 353 HB2 LYS 45 HB2 LYS 45 44.843 61.668 47.530 354 HB3 LYS 45 HB3 LYS 45 43.295 61.283 48.196 355 HG2 LYS 45 HG2 LYS 45 44.709 58.941 46.943 356 HG3 LYS 45 HG3 LYS 45 45.578 59.657 48.236 357 HD2 LYS 45 HD2 LYS 45 42.656 58.908 48.642 358 HD3 LYS 45 HD3 LYS 45 43.913 57.705 48.702 359 HE2 LYS 45 HE2 LYS 45 43.325 58.346 50.919 360 HE3 LYS 45 HE3 LYS 45 45.015 58.645 50.584 361 HZ1 LYS 45 HZ1 LYS 45 42.898 60.713 50.649 362 HZ2 LYS 45 HZ2 LYS 45 43.977 60.446 51.820 363 HZ3 LYS 45 HZ3 LYS 45 44.483 61.019 50.428 364 H VAL 46 H VAL 46 45.464 62.078 44.891 365 HA VAL 46 HA VAL 46 45.939 59.805 43.066 366 HB VAL 46 HB VAL 46 46.621 62.780 43.080 367 HG11 VAL 46 HG11 VAL 46 47.777 62.395 40.970 368 HG12 VAL 46 HG12 VAL 46 48.622 61.732 42.384 369 HG13 VAL 46 HG13 VAL 46 47.746 60.619 41.304 370 HG21 VAL 46 HG21 VAL 46 44.399 62.193 42.162 371 HG22 VAL 46 HG22 VAL 46 45.521 62.942 41.002 372 HG23 VAL 46 HG23 VAL 46 45.173 61.205 40.907 373 H LYS 47 H LYS 47 48.069 58.921 43.233 374 HA LYS 47 HA LYS 47 49.952 60.192 45.147 375 HB2 LYS 47 HB2 LYS 47 49.263 58.113 46.246 376 HB3 LYS 47 HB3 LYS 47 49.325 57.259 44.692 377 HG2 LYS 47 HG2 LYS 47 51.128 56.488 46.047 378 HG3 LYS 47 HG3 LYS 47 51.768 57.337 44.656 379 HD2 LYS 47 HD2 LYS 47 52.117 59.364 46.208 380 HD3 LYS 47 HD3 LYS 47 51.617 58.269 47.536 381 HE2 LYS 47 HE2 LYS 47 53.422 56.802 47.191 382 HE3 LYS 47 HE3 LYS 47 53.811 57.459 45.626 383 HZ1 LYS 47 HZ1 LYS 47 54.518 59.532 46.772 384 HZ2 LYS 47 HZ2 LYS 47 54.145 58.863 48.221 385 HZ3 LYS 47 HZ3 LYS 47 55.334 58.245 47.317 386 H ILE 48 H ILE 48 51.605 60.902 44.323 387 HA ILE 48 HA ILE 48 52.896 59.465 42.078 388 HB ILE 48 HB ILE 48 52.970 62.268 43.110 389 HG12 ILE 48 HG12 ILE 48 51.449 61.462 41.243 390 HG13 ILE 48 HG13 ILE 48 52.518 62.812 40.842 391 HG21 ILE 48 HG21 ILE 48 55.204 61.004 41.552 392 HG22 ILE 48 HG22 ILE 48 54.889 62.774 41.602 393 HG23 ILE 48 HG23 ILE 48 55.297 61.906 43.084 394 HD11 ILE 48 HD11 ILE 48 53.040 59.904 40.046 395 HD12 ILE 48 HD12 ILE 48 52.288 61.146 39.023 396 HD13 ILE 48 HD13 ILE 48 53.972 61.336 39.563 397 HA PRO 49 HA PRO 49 55.914 57.925 45.245 398 HB2 PRO 49 HB2 PRO 49 57.325 56.408 43.422 399 HB3 PRO 49 HB3 PRO 49 55.878 55.819 44.283 400 HG2 PRO 49 HG2 PRO 49 56.196 57.025 41.538 401 HG3 PRO 49 HG3 PRO 49 55.194 55.597 41.953 402 HD2 PRO 49 HD2 PRO 49 54.172 58.065 41.529 403 HD3 PRO 49 HD3 PRO 49 53.439 57.061 42.806 404 H LYS 50 H LYS 50 58.396 58.104 45.191 405 HA LYS 50 HA LYS 50 59.607 59.639 43.095 406 HB2 LYS 50 HB2 LYS 50 58.953 60.932 45.741 407 HB3 LYS 50 HB3 LYS 50 60.487 61.335 44.953 408 HG2 LYS 50 HG2 LYS 50 58.762 61.592 42.861 409 HG3 LYS 50 HG3 LYS 50 57.713 62.082 44.208 410 HD2 LYS 50 HD2 LYS 50 59.193 63.979 44.698 411 HD3 LYS 50 HD3 LYS 50 60.431 63.315 43.616 412 HE2 LYS 50 HE2 LYS 50 58.465 63.362 41.830 413 HE3 LYS 50 HE3 LYS 50 57.737 64.525 42.934 414 HZ1 LYS 50 HZ1 LYS 50 60.457 64.763 41.775 415 HZ2 LYS 50 HZ2 LYS 50 59.125 65.634 41.303 416 HZ3 LYS 50 HZ3 LYS 50 59.727 65.836 42.752 417 H ASP 51 H ASP 51 61.283 58.386 42.884 418 HA ASP 51 HA ASP 51 63.016 56.920 44.612 419 HB2 ASP 51 HB2 ASP 51 63.003 57.123 42.075 420 HB3 ASP 51 HB3 ASP 51 63.699 58.747 42.304 421 H LYS 52 H LYS 52 65.097 57.543 45.483 422 HA LYS 52 HA LYS 52 65.351 59.912 46.906 423 HB2 LYS 52 HB2 LYS 52 67.806 59.319 46.975 424 HB3 LYS 52 HB3 LYS 52 66.641 58.050 47.380 425 HG2 LYS 52 HG2 LYS 52 67.860 56.759 46.072 426 HG3 LYS 52 HG3 LYS 52 66.998 57.550 44.705 427 HD2 LYS 52 HD2 LYS 52 68.985 59.031 44.437 428 HD3 LYS 52 HD3 LYS 52 69.748 58.102 45.762 429 HE2 LYS 52 HE2 LYS 52 70.494 57.174 43.653 430 HE3 LYS 52 HE3 LYS 52 69.444 56.011 44.442 431 HZ1 LYS 52 HZ1 LYS 52 68.663 56.063 42.237 432 HZ2 LYS 52 HZ2 LYS 52 67.604 57.050 42.952 433 HZ3 LYS 52 HZ3 LYS 52 68.785 57.668 42.084 434 H ASP 53 H ASP 53 66.034 59.352 43.483 435 HA ASP 53 HA ASP 53 67.374 61.881 43.166 436 HB2 ASP 53 HB2 ASP 53 67.778 59.746 41.817 437 HB3 ASP 53 HB3 ASP 53 66.367 60.156 40.870 438 H GLY 54 H GLY 54 64.155 61.033 43.553 439 HA2 GLY 54 HA2 GLY 54 62.477 62.515 43.917 440 HA3 GLY 54 HA3 GLY 54 63.265 63.764 42.945 441 H LYS 55 H LYS 55 62.578 60.358 41.903 442 HA LYS 55 HA LYS 55 60.784 61.542 39.869 443 HB2 LYS 55 HB2 LYS 55 63.104 60.829 39.149 444 HB3 LYS 55 HB3 LYS 55 62.611 59.136 39.518 445 HG2 LYS 55 HG2 LYS 55 62.459 59.377 37.176 446 HG3 LYS 55 HG3 LYS 55 60.823 59.378 37.792 447 HD2 LYS 55 HD2 LYS 55 60.689 61.313 36.414 448 HD3 LYS 55 HD3 LYS 55 61.326 62.081 37.849 449 HE2 LYS 55 HE2 LYS 55 63.682 61.647 36.852 450 HE3 LYS 55 HE3 LYS 55 62.840 61.165 35.375 451 HZ1 LYS 55 HZ1 LYS 55 61.717 63.377 35.483 452 HZ2 LYS 55 HZ2 LYS 55 62.628 63.774 36.754 453 HZ3 LYS 55 HZ3 LYS 55 63.333 63.511 35.322 454 HA PRO 56 HA PRO 56 57.863 58.501 41.167 455 HB2 PRO 56 HB2 PRO 56 56.143 58.697 38.903 456 HB3 PRO 56 HB3 PRO 56 56.090 59.705 40.386 457 HG2 PRO 56 HG2 PRO 56 57.342 60.088 37.695 458 HG3 PRO 56 HG3 PRO 56 56.529 61.353 38.700 459 HD2 PRO 56 HD2 PRO 56 59.286 61.137 38.473 460 HD3 PRO 56 HD3 PRO 56 58.511 61.744 39.923 461 H LYS 57 H LYS 57 60.155 57.631 39.048 462 HA LYS 57 HA LYS 57 60.650 55.636 37.928 463 HB2 LYS 57 HB2 LYS 57 58.583 54.396 39.770 464 HB3 LYS 57 HB3 LYS 57 59.984 53.597 39.077 465 HG2 LYS 57 HG2 LYS 57 61.000 54.045 41.019 466 HG3 LYS 57 HG3 LYS 57 61.180 55.687 40.436 467 HD2 LYS 57 HD2 LYS 57 59.275 56.496 41.616 468 HD3 LYS 57 HD3 LYS 57 58.616 54.878 41.894 469 HE2 LYS 57 HE2 LYS 57 61.299 55.872 42.844 470 HE3 LYS 57 HE3 LYS 57 59.838 56.051 43.837 471 HZ1 LYS 57 HZ1 LYS 57 61.085 54.100 44.441 472 HZ2 LYS 57 HZ2 LYS 57 59.636 53.635 43.873 473 HZ3 LYS 57 HZ3 LYS 57 61.006 53.442 42.983 474 H GLN 58 H GLN 58 58.525 57.242 36.858 475 HA GLN 58 HA GLN 58 57.026 57.319 35.241 476 HB2 GLN 58 HB2 GLN 58 58.369 54.750 34.296 477 HB3 GLN 58 HB3 GLN 58 57.116 55.614 33.447 478 HG2 GLN 58 HG2 GLN 58 58.781 57.693 33.680 479 HG3 GLN 58 HG3 GLN 58 60.002 56.447 33.995 480 HE21 GLN 58 HE22 GLN 58 57.746 57.855 31.893 481 HE22 GLN 58 HE21 GLN 58 57.896 56.874 30.484 482 H PHE 59 H PHE 59 56.022 56.311 37.636 483 HA PHE 59 HA PHE 59 53.649 54.824 36.725 484 HB2 PHE 59 HB2 PHE 59 53.875 52.931 37.539 485 HB3 PHE 59 HB3 PHE 59 55.585 53.237 37.433 486 HD1 PHE 59 HD1 PHE 59 52.613 52.826 39.534 487 HD2 PHE 59 HD2 PHE 59 56.862 53.337 39.582 488 HE1 PHE 59 HE1 PHE 59 52.591 52.425 41.964 489 HE2 PHE 59 HE2 PHE 59 56.883 52.720 42.040 490 HZ PHE 59 HZ PHE 59 54.732 52.363 43.232 491 H ALA 60 H ALA 60 51.950 54.780 38.486 492 HA ALA 60 HA ALA 60 52.285 56.501 40.792 493 HB1 ALA 60 HB1 ALA 60 50.407 58.002 40.164 494 HB2 ALA 60 HB2 ALA 60 51.903 58.240 39.273 495 HB3 ALA 60 HB3 ALA 60 50.542 57.399 38.480 496 H PHE 61 H PHE 61 49.939 56.697 41.851 497 HA PHE 61 HA PHE 61 48.062 54.535 41.138 498 HB2 PHE 61 HB2 PHE 61 49.299 55.117 43.835 499 HB3 PHE 61 HB3 PHE 61 47.633 54.565 43.771 500 HD1 PHE 61 HD1 PHE 61 47.131 52.163 43.085 501 HD2 PHE 61 HD2 PHE 61 51.109 53.639 43.811 502 HE1 PHE 61 HE1 PHE 61 47.977 49.823 43.297 503 HE2 PHE 61 HE2 PHE 61 51.924 51.314 44.077 504 HZ PHE 61 HZ PHE 61 50.370 49.415 43.836 505 H VAL 62 H VAL 62 45.932 54.956 42.034 506 HA VAL 62 HA VAL 62 45.156 57.744 42.710 507 HB VAL 62 HB VAL 62 43.730 56.248 40.483 508 HG11 VAL 62 HG11 VAL 62 43.011 58.621 39.962 509 HG12 VAL 62 HG12 VAL 62 42.475 58.017 41.537 510 HG13 VAL 62 HG13 VAL 62 43.860 59.138 41.428 511 HG21 VAL 62 HG21 VAL 62 46.051 56.643 39.646 512 HG22 VAL 62 HG22 VAL 62 44.869 57.665 38.840 513 HG23 VAL 62 HG23 VAL 62 45.901 58.338 40.160 514 H ASN 63 H ASN 63 43.476 57.725 44.084 515 HA ASN 63 HA ASN 63 42.278 55.114 44.913 516 HB2 ASN 63 HB2 ASN 63 43.632 56.819 46.505 517 HB3 ASN 63 HB3 ASN 63 42.113 57.664 46.505 518 HD21 ASN 63 HD22 ASN 63 43.810 55.100 47.913 519 HD22 ASN 63 HD21 ASN 63 42.474 54.167 48.562 520 H PHE 64 H PHE 64 39.868 55.033 45.220 521 HA PHE 64 HA PHE 64 38.381 57.164 43.737 522 HB2 PHE 64 HB2 PHE 64 38.687 54.298 42.917 523 HB3 PHE 64 HB3 PHE 64 37.119 55.022 42.718 524 HD1 PHE 64 HD1 PHE 64 40.682 55.949 42.016 525 HD2 PHE 64 HD2 PHE 64 36.576 56.123 40.766 526 HE1 PHE 64 HE1 PHE 64 41.398 56.758 39.755 527 HE2 PHE 64 HE2 PHE 64 37.269 56.956 38.546 528 HZ PHE 64 HZ PHE 64 39.695 57.227 38.016 529 H LYS 65 H LYS 65 36.042 57.279 44.122 530 HA LYS 65 HA LYS 65 34.987 56.221 46.623 531 HB2 LYS 65 HB2 LYS 65 33.513 57.318 44.203 532 HB3 LYS 65 HB3 LYS 65 32.725 56.831 45.692 533 HG2 LYS 65 HG2 LYS 65 34.778 59.015 45.656 534 HG3 LYS 65 HG3 LYS 65 33.018 59.223 45.423 535 HD2 LYS 65 HD2 LYS 65 32.765 57.942 47.692 536 HD3 LYS 65 HD3 LYS 65 34.484 58.274 47.899 537 HE2 LYS 65 HE2 LYS 65 33.508 59.952 49.063 538 HE3 LYS 65 HE3 LYS 65 33.850 60.757 47.515 539 HZ1 LYS 65 HZ1 LYS 65 31.196 59.623 48.200 540 HZ2 LYS 65 HZ2 LYS 65 31.564 61.208 48.346 541 HZ3 LYS 65 HZ3 LYS 65 31.586 60.535 46.902 542 H HIS 66 H HIS 66 35.192 54.855 43.430 543 HA HIS 66 HA HIS 66 33.217 52.734 43.762 544 HB2 HIS 66 HB2 HIS 66 35.646 52.871 41.957 545 HB3 HIS 66 HB3 HIS 66 34.310 51.734 41.827 546 HD2 HIS 66 HD2 HIS 66 35.302 53.914 39.636 547 HE1 HIS 66 HE1 HIS 66 31.500 55.718 40.245 548 HE2 HIS 66 HE2 HIS 66 33.491 55.598 38.744 549 H GLU 67 H GLU 67 33.570 50.563 44.507 550 HA GLU 67 HA GLU 67 36.236 50.014 45.811 551 HB2 GLU 67 HB2 GLU 67 34.375 50.654 47.307 552 HB3 GLU 67 HB3 GLU 67 33.528 49.160 46.880 553 HG2 GLU 67 HG2 GLU 67 35.318 47.819 47.858 554 HG3 GLU 67 HG3 GLU 67 36.309 49.258 48.121 555 H VAL 68 H VAL 68 33.783 48.648 43.823 556 HA VAL 68 HA VAL 68 34.491 45.872 43.957 557 HB VAL 68 HB VAL 68 32.927 45.643 42.073 558 HG11 VAL 68 HG11 VAL 68 32.071 46.102 44.446 559 HG12 VAL 68 HG12 VAL 68 31.715 47.752 43.881 560 HG13 VAL 68 HG13 VAL 68 30.945 46.365 43.113 561 HG21 VAL 68 HG21 VAL 68 33.677 47.674 40.796 562 HG22 VAL 68 HG22 VAL 68 31.919 47.634 40.983 563 HG23 VAL 68 HG23 VAL 68 32.880 48.709 42.003 564 H SER 69 H SER 69 36.762 47.596 43.359 565 HA SER 69 HA SER 69 38.683 47.565 42.229 566 HB2 SER 69 HB2 SER 69 39.711 45.478 41.684 567 HB3 SER 69 HB3 SER 69 38.915 45.440 43.257 568 HG SER 69 HG SER 69 37.938 43.815 42.605 569 H VAL 70 H VAL 70 36.876 48.759 40.819 570 HA VAL 70 HA VAL 70 36.756 47.725 38.054 571 HB VAL 70 HB VAL 70 34.647 48.262 38.745 572 HG11 VAL 70 HG11 VAL 70 35.055 49.783 40.673 573 HG12 VAL 70 HG12 VAL 70 35.470 51.096 39.567 574 HG13 VAL 70 HG13 VAL 70 33.833 50.423 39.585 575 HG21 VAL 70 HG21 VAL 70 35.394 50.638 36.989 576 HG22 VAL 70 HG22 VAL 70 35.186 48.962 36.435 577 HG23 VAL 70 HG23 VAL 70 33.835 49.847 37.142 578 HA PRO 71 HA PRO 71 39.918 50.967 37.351 579 HB2 PRO 71 HB2 PRO 71 41.289 49.907 35.338 580 HB3 PRO 71 HB3 PRO 71 41.387 49.222 36.998 581 HG2 PRO 71 HG2 PRO 71 39.585 48.273 34.724 582 HG3 PRO 71 HG3 PRO 71 40.720 47.266 35.678 583 HD2 PRO 71 HD2 PRO 71 38.067 47.471 36.359 584 HD3 PRO 71 HD3 PRO 71 39.353 47.393 37.604 585 H TYR 72 H TYR 72 37.828 52.052 36.800 586 HA TYR 72 HA TYR 72 36.591 52.101 34.301 587 HB2 TYR 72 HB2 TYR 72 35.839 53.219 36.440 588 HB3 TYR 72 HB3 TYR 72 36.778 54.620 35.981 589 HD1 TYR 72 HD1 TYR 72 36.429 55.788 33.885 590 HD2 TYR 72 HD2 TYR 72 33.678 52.749 35.252 591 HE1 TYR 72 HE1 TYR 72 34.591 56.877 32.607 592 HE2 TYR 72 HE2 TYR 72 31.858 53.836 33.951 593 HH TYR 72 HH TYR 72 32.203 56.794 32.328 594 H ALA 73 H ALA 73 39.586 53.747 35.189 595 HA ALA 73 HA ALA 73 39.742 55.392 32.811 596 HB1 ALA 73 HB1 ALA 73 42.055 54.427 34.546 597 HB2 ALA 73 HB2 ALA 73 42.033 55.888 33.599 598 HB3 ALA 73 HB3 ALA 73 40.990 55.779 35.037 599 H MET 74 H MET 74 40.738 52.025 33.323 600 HA MET 74 HA MET 74 42.727 51.963 31.304 601 HB2 MET 74 HB2 MET 74 42.555 50.128 32.892 602 HB3 MET 74 HB3 MET 74 40.906 49.755 32.379 603 HG2 MET 74 HG2 MET 74 41.911 49.223 30.079 604 HG3 MET 74 HG3 MET 74 43.492 49.533 30.815 605 HE1 MET 74 HE1 MET 74 44.543 46.108 30.826 606 HE2 MET 74 HE2 MET 74 44.388 47.591 29.863 607 HE3 MET 74 HE3 MET 74 44.990 47.674 31.535 608 H ASN 75 H ASN 75 39.258 52.086 31.090 609 HA ASN 75 HA ASN 75 39.007 51.295 28.243 610 HB2 ASN 75 HB2 ASN 75 37.357 50.442 29.833 611 HB3 ASN 75 HB3 ASN 75 37.123 52.051 30.518 612 HD21 ASN 75 HD22 ASN 75 35.216 52.854 29.892 613 HD22 ASN 75 HD21 ASN 75 34.792 53.056 28.199 614 H LEU 76 H LEU 76 39.708 54.096 30.107 615 HA LEU 76 HA LEU 76 38.115 55.887 28.386 616 HB2 LEU 76 HB2 LEU 76 38.170 55.592 31.156 617 HB3 LEU 76 HB3 LEU 76 39.329 56.893 30.931 618 HG LEU 76 HG LEU 76 37.120 57.563 31.598 619 HD11 LEU 76 HD11 LEU 76 37.997 58.695 28.932 620 HD12 LEU 76 HD12 LEU 76 36.878 59.453 30.103 621 HD13 LEU 76 HD13 LEU 76 38.557 59.155 30.568 622 HD21 LEU 76 HD21 LEU 76 35.960 55.783 30.143 623 HD22 LEU 76 HD22 LEU 76 35.183 57.358 30.303 624 HD23 LEU 76 HD23 LEU 76 36.068 56.944 28.815 625 H LEU 77 H LEU 77 41.312 55.534 29.903 626 HA LEU 77 HA LEU 77 42.398 57.770 28.291 627 HB2 LEU 77 HB2 LEU 77 43.515 56.802 30.931 628 HB3 LEU 77 HB3 LEU 77 44.120 58.099 29.908 629 HG LEU 77 HG LEU 77 43.207 59.367 31.467 630 HD11 LEU 77 HD11 LEU 77 40.605 58.985 29.997 631 HD12 LEU 77 HD12 LEU 77 41.229 60.428 30.859 632 HD13 LEU 77 HD13 LEU 77 41.959 59.936 29.338 633 HD21 LEU 77 HD21 LEU 77 42.460 57.780 32.968 634 HD22 LEU 77 HD22 LEU 77 41.156 58.945 32.749 635 HD23 LEU 77 HD23 LEU 77 41.022 57.345 31.984 636 H ASN 78 H ASN 78 44.443 55.362 29.967 637 HA ASN 78 HA ASN 78 46.071 53.946 29.068 638 HB2 ASN 78 HB2 ASN 78 43.982 52.947 29.875 639 HB3 ASN 78 HB3 ASN 78 43.405 52.803 28.217 640 HD21 ASN 78 HD22 ASN 78 45.050 51.454 26.789 641 HD22 ASN 78 HD21 ASN 78 45.750 50.055 27.595 642 H GLY 79 H GLY 79 46.682 55.811 27.580 643 HA2 GLY 79 HA2 GLY 79 47.787 55.318 25.242 644 HA3 GLY 79 HA3 GLY 79 46.089 55.282 24.705 645 H ILE 80 H ILE 80 46.930 57.619 27.198 646 HA ILE 80 HA ILE 80 46.893 59.780 25.181 647 HB ILE 80 HB ILE 80 45.043 60.909 26.151 648 HG12 ILE 80 HG12 ILE 80 43.868 59.215 28.048 649 HG13 ILE 80 HG13 ILE 80 45.588 59.259 28.472 650 HG21 ILE 80 HG21 ILE 80 44.291 57.966 25.793 651 HG22 ILE 80 HG22 ILE 80 43.123 59.254 25.998 652 HG23 ILE 80 HG23 ILE 80 44.184 59.276 24.583 653 HD11 ILE 80 HD11 ILE 80 44.083 61.835 27.909 654 HD12 ILE 80 HD12 ILE 80 44.040 61.054 29.503 655 HD13 ILE 80 HD13 ILE 80 45.585 61.584 28.816 656 H LYS 81 H LYS 81 47.514 61.835 25.883 657 HA LYS 81 HA LYS 81 48.581 62.279 28.536 658 HB2 LYS 81 HB2 LYS 81 51.033 62.549 27.475 659 HB3 LYS 81 HB3 LYS 81 50.404 61.032 28.071 660 HG2 LYS 81 HG2 LYS 81 51.536 60.657 25.927 661 HG3 LYS 81 HG3 LYS 81 49.820 60.410 25.681 662 HD2 LYS 81 HD2 LYS 81 49.637 62.765 24.826 663 HD3 LYS 81 HD3 LYS 81 51.392 62.950 25.101 664 HE2 LYS 81 HE2 LYS 81 51.798 60.993 23.624 665 HE3 LYS 81 HE3 LYS 81 50.076 60.766 23.423 666 HZ1 LYS 81 HZ1 LYS 81 50.027 62.947 22.217 667 HZ2 LYS 81 HZ2 LYS 81 51.632 63.109 22.470 668 HZ3 LYS 81 HZ3 LYS 81 51.054 61.923 21.527 669 H LEU 82 H LEU 82 49.855 64.152 28.784 670 HA LEU 82 HA LEU 82 49.001 66.478 27.103 671 HB2 LEU 82 HB2 LEU 82 48.780 66.446 29.728 672 HB3 LEU 82 HB3 LEU 82 50.541 66.534 29.709 673 HG LEU 82 HG LEU 82 50.538 68.662 28.556 674 HD11 LEU 82 HD11 LEU 82 48.630 68.639 27.152 675 HD12 LEU 82 HD12 LEU 82 47.508 68.452 28.541 676 HD13 LEU 82 HD13 LEU 82 48.398 69.962 28.293 677 HD21 LEU 82 HD21 LEU 82 49.623 70.078 30.296 678 HD22 LEU 82 HD22 LEU 82 48.641 68.743 30.927 679 HD23 LEU 82 HD23 LEU 82 50.422 68.666 31.003 680 H TYR 83 H TYR 83 51.896 64.703 28.252 681 HA TYR 83 HA TYR 83 53.581 66.822 27.071 682 HB2 TYR 83 HB2 TYR 83 54.068 64.532 28.973 683 HB3 TYR 83 HB3 TYR 83 55.343 65.627 28.465 684 HD1 TYR 83 HD1 TYR 83 54.298 68.287 28.673 685 HD2 TYR 83 HD2 TYR 83 53.416 64.845 31.111 686 HE1 TYR 83 HE1 TYR 83 53.799 69.782 30.601 687 HE2 TYR 83 HE2 TYR 83 53.064 66.312 33.068 688 HH TYR 83 HH TYR 83 53.133 69.835 32.843 689 H GLY 84 H GLY 84 53.436 63.270 27.012 690 HA2 GLY 84 HA2 GLY 84 54.161 62.847 24.312 691 HA3 GLY 84 HA3 GLY 84 55.647 62.927 25.264 692 H ARG 85 H ARG 85 54.330 61.591 27.653 693 HA ARG 85 HA ARG 85 54.527 58.780 26.748 694 HB2 ARG 85 HB2 ARG 85 54.924 59.923 29.496 695 HB3 ARG 85 HB3 ARG 85 54.855 58.226 29.056 696 HG2 ARG 85 HG2 ARG 85 57.126 58.431 28.866 697 HG3 ARG 85 HG3 ARG 85 56.637 58.786 27.221 698 HD2 ARG 85 HD2 ARG 85 56.756 61.289 27.963 699 HD3 ARG 85 HD3 ARG 85 57.668 60.632 29.349 700 HE ARG 85 HE ARG 85 58.765 59.512 26.975 701 HH11 ARG 85 HH11 ARG 85 58.367 62.669 28.429 702 HH12 ARG 85 HH12 ARG 85 59.923 63.213 27.846 703 HH21 ARG 85 HH21 ARG 85 60.700 60.255 26.322 704 HH22 ARG 85 HH22 ARG 85 61.293 61.871 26.751 705 HA PRO 86 HA PRO 86 50.017 58.905 27.323 706 HB2 PRO 86 HB2 PRO 86 49.509 56.528 26.097 707 HB3 PRO 86 HB3 PRO 86 49.839 58.059 25.195 708 HG2 PRO 86 HG2 PRO 86 51.778 55.823 25.887 709 HG3 PRO 86 HG3 PRO 86 51.588 56.645 24.286 710 HD2 PRO 86 HD2 PRO 86 53.520 57.286 26.006 711 HD3 PRO 86 HD3 PRO 86 52.702 58.542 25.037 712 H ILE 87 H ILE 87 49.292 58.547 29.279 713 HA ILE 87 HA ILE 87 50.123 56.818 31.292 714 HB ILE 87 HB ILE 87 47.421 57.984 30.581 715 HG12 ILE 87 HG12 ILE 87 49.000 59.670 30.968 716 HG13 ILE 87 HG13 ILE 87 48.020 59.571 32.447 717 HG21 ILE 87 HG21 ILE 87 48.129 57.115 33.381 718 HG22 ILE 87 HG22 ILE 87 46.566 57.628 32.676 719 HG23 ILE 87 HG23 ILE 87 47.241 56.022 32.304 720 HD11 ILE 87 HD11 ILE 87 50.174 59.770 33.336 721 HD12 ILE 87 HD12 ILE 87 50.036 58.013 33.301 722 HD13 ILE 87 HD13 ILE 87 50.898 58.841 31.992 723 H LYS 88 H LYS 88 50.144 54.778 31.582 724 HA LYS 88 HA LYS 88 48.177 53.122 30.183 725 HB2 LYS 88 HB2 LYS 88 50.656 52.706 29.700 726 HB3 LYS 88 HB3 LYS 88 50.884 52.307 31.394 727 HG2 LYS 88 HG2 LYS 88 50.597 50.341 29.779 728 HG3 LYS 88 HG3 LYS 88 49.713 50.339 31.305 729 HD2 LYS 88 HD2 LYS 88 47.661 51.153 30.109 730 HD3 LYS 88 HD3 LYS 88 48.589 51.211 28.608 731 HE2 LYS 88 HE2 LYS 88 48.305 48.635 30.212 732 HE3 LYS 88 HE3 LYS 88 46.992 49.206 29.185 733 HZ1 LYS 88 HZ1 LYS 88 48.240 48.976 27.312 734 HZ2 LYS 88 HZ2 LYS 88 49.683 49.049 28.060 735 HZ3 LYS 88 HZ3 LYS 88 48.780 47.689 28.170 736 H ILE 89 H ILE 89 46.501 52.377 31.460 737 HA ILE 89 HA ILE 89 46.941 52.266 34.405 738 HB ILE 89 HB ILE 89 44.365 52.112 32.798 739 HG12 ILE 89 HG12 ILE 89 44.234 54.303 34.475 740 HG13 ILE 89 HG13 ILE 89 45.947 54.339 34.046 741 HG21 ILE 89 HG21 ILE 89 44.629 52.180 35.798 742 HG22 ILE 89 HG22 ILE 89 43.152 52.459 34.858 743 HG23 ILE 89 HG23 ILE 89 43.934 50.882 34.756 744 HD11 ILE 89 HD11 ILE 89 43.701 54.130 32.014 745 HD12 ILE 89 HD12 ILE 89 44.422 55.666 32.551 746 HD13 ILE 89 HD13 ILE 89 45.420 54.462 31.687 747 H GLN 90 H GLN 90 46.977 50.457 35.536 748 HA GLN 90 HA GLN 90 46.354 47.875 34.264 749 HB2 GLN 90 HB2 GLN 90 48.901 48.692 35.691 750 HB3 GLN 90 HB3 GLN 90 48.408 46.990 35.587 751 HG2 GLN 90 HG2 GLN 90 48.781 48.799 33.171 752 HG3 GLN 90 HG3 GLN 90 50.041 47.747 33.830 753 HE21 GLN 90 HE22 GLN 90 47.207 47.923 31.763 754 HE22 GLN 90 HE21 GLN 90 47.294 46.219 31.345 755 H PHE 91 H PHE 91 46.376 46.268 36.353 756 HA PHE 91 HA PHE 91 44.645 47.586 38.363 757 HB2 PHE 91 HB2 PHE 91 42.594 46.453 37.667 758 HB3 PHE 91 HB3 PHE 91 43.155 47.586 36.465 759 HD1 PHE 91 HD2 PHE 91 42.662 44.005 37.245 760 HD2 PHE 91 HD1 PHE 91 43.792 46.876 34.226 761 HE1 PHE 91 HE2 PHE 91 42.207 42.338 35.449 762 HE2 PHE 91 HE1 PHE 91 43.650 45.112 32.509 763 HZ PHE 91 HZ PHE 91 42.692 42.888 33.099 764 H ARG 92 H ARG 92 44.101 46.411 40.117 765 HA ARG 92 HA ARG 92 44.754 43.501 40.171 766 HB2 ARG 92 HB2 ARG 92 44.791 45.466 42.510 767 HB3 ARG 92 HB3 ARG 92 44.864 43.724 42.659 768 HG2 ARG 92 HG2 ARG 92 46.973 43.591 41.512 769 HG3 ARG 92 HG3 ARG 92 46.895 45.297 41.016 770 HD2 ARG 92 HD2 ARG 92 47.208 46.070 43.265 771 HD3 ARG 92 HD3 ARG 92 46.828 44.444 43.921 772 HE ARG 92 HE ARG 92 49.225 44.293 42.367 773 HH11 ARG 92 HH11 ARG 92 48.114 45.556 45.546 774 HH12 ARG 92 HH12 ARG 92 49.800 45.565 46.043 775 HH21 ARG 92 HH21 ARG 92 51.042 43.811 43.567 776 HH22 ARG 92 HH22 ARG 92 51.080 44.341 45.270 777 H SER 93 H SER 93 43.227 42.164 41.087 778 HA SER 93 HA SER 93 40.446 43.207 40.973 779 HB2 SER 93 HB2 SER 93 39.900 40.839 40.425 780 HB3 SER 93 HB3 SER 93 40.995 41.646 39.279 781 HG SER 93 HG SER 93 41.592 39.721 41.139 782 H GLY 94 H GLY 94 42.621 42.733 43.340 783 HA2 GLY 94 HA2 GLY 94 41.200 42.999 45.574 784 HA3 GLY 94 HA3 GLY 94 40.925 41.277 45.247 785 H SER 95 H SER 95 42.025 41.747 47.556 786 HA SER 95 HA SER 95 45.003 41.540 47.354 787 HB2 SER 95 HB2 SER 95 43.446 41.850 49.931 788 HB3 SER 95 HB3 SER 95 45.157 42.151 49.642 789 HG SER 95 HG SER 95 43.949 44.044 49.688 790 H SER 96 H SER 96 45.600 39.417 47.165 791 HA SER 96 HA SER 96 44.579 37.178 48.498 792 HB2 SER 96 HB2 SER 96 47.484 37.985 48.114 793 HB3 SER 96 HB3 SER 96 46.923 36.416 48.718 794 HG SER 96 HG SER 96 46.865 36.005 46.716 795 H HIS 97 H HIS 97 44.828 36.380 50.700 796 HA HIS 97 HA HIS 97 46.563 37.775 52.576 797 HB2 HIS 97 HB2 HIS 97 45.038 38.418 54.185 798 HB3 HIS 97 HB3 HIS 97 44.373 38.984 52.670 799 HD2 HIS 97 HD2 HIS 97 42.750 36.485 51.688 800 HE1 HIS 97 HE1 HIS 97 40.474 37.120 55.215 801 HE2 HIS 97 HE2 HIS 97 40.467 36.095 52.895 802 H ALA 98 H ALA 98 47.102 36.447 54.439 803 HA ALA 98 HA ALA 98 46.789 33.545 53.802 804 HB1 ALA 98 HB1 ALA 98 49.007 33.343 54.860 805 HB2 ALA 98 HB2 ALA 98 48.977 34.529 53.550 806 HB3 ALA 98 HB3 ALA 98 48.963 35.071 55.258 807 HA PRO 99 HA PRO 99 44.841 32.628 57.628 808 HB2 PRO 99 HB2 PRO 99 45.590 30.105 58.202 809 HB3 PRO 99 HB3 PRO 99 44.674 30.468 56.708 810 HG2 PRO 99 HG2 PRO 99 47.651 30.140 57.023 811 HG3 PRO 99 HG3 PRO 99 46.573 29.354 55.825 812 HD2 PRO 99 HD2 PRO 99 48.027 31.626 55.262 813 HD3 PRO 99 HD3 PRO 99 46.452 31.352 54.525 814 H GLN 100 H GLN 100 45.155 32.156 59.914 815 HA GLN 100 HA GLN 100 47.840 32.649 61.101 816 HB2 GLN 100 HB2 GLN 100 45.085 33.375 62.155 817 HB3 GLN 100 HB3 GLN 100 46.604 33.534 63.022 818 HG2 GLN 100 HG2 GLN 100 47.336 35.067 60.984 819 HG3 GLN 100 HG3 GLN 100 45.646 35.035 60.546 820 HE21 GLN 100 HE22 GLN 100 45.677 37.399 60.894 821 HE22 GLN 100 HE21 GLN 100 45.641 38.010 62.552 822 H ASP 101 H ASP 101 45.283 30.258 60.857 823 HA ASP 101 HA ASP 101 46.616 28.428 62.697 824 HB2 ASP 101 HB2 ASP 101 45.357 29.279 64.421 825 HB3 ASP 101 HB3 ASP 101 43.988 29.686 63.400 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 53.528 39.533 18.198 2 H2 GLY 1 H2 GLY 1 54.360 38.498 17.195 3 H3 GLY 1 H3 GLY 1 52.887 39.056 16.804 4 HA2 GLY 1 HA2 GLY 1 54.450 40.164 15.487 5 HA3 GLY 1 HA3 GLY 1 53.568 41.271 16.538 6 H SER 2 H SER 2 54.974 42.883 17.152 7 HA SER 2 HA SER 2 57.694 42.747 16.536 8 HB2 SER 2 HB2 SER 2 56.553 44.839 18.438 9 HB3 SER 2 HB3 SER 2 57.939 44.987 17.363 10 HG SER 2 HG SER 2 55.861 44.436 15.867 11 H GLU 3 H GLU 3 56.407 41.816 19.637 12 HA GLU 3 HA GLU 3 59.040 42.389 20.957 13 HB2 GLU 3 HB2 GLU 3 56.268 42.060 22.116 14 HB3 GLU 3 HB3 GLU 3 57.753 42.355 23.044 15 HG2 GLU 3 HG2 GLU 3 57.976 44.570 21.935 16 HG3 GLU 3 HG3 GLU 3 56.513 44.250 21.012 17 H PHE 4 H PHE 4 60.203 40.766 21.618 18 HA PHE 4 HA PHE 4 59.107 38.469 23.002 19 HB2 PHE 4 HB2 PHE 4 59.055 37.778 20.619 20 HB3 PHE 4 HB3 PHE 4 60.766 38.094 20.471 21 HD1 PHE 4 HD1 PHE 4 62.390 36.524 21.660 22 HD2 PHE 4 HD2 PHE 4 58.145 35.910 21.757 23 HE1 PHE 4 HE1 PHE 4 62.753 34.174 22.376 24 HE2 PHE 4 HE2 PHE 4 58.504 33.487 22.274 25 HZ PHE 4 HZ PHE 4 60.796 32.649 22.681 26 H GLU 5 H GLU 5 61.730 40.692 22.298 27 HA GLU 5 HA GLU 5 63.625 39.252 24.052 28 HB2 GLU 5 HB2 GLU 5 65.275 40.605 23.293 29 HB3 GLU 5 HB3 GLU 5 64.284 40.363 21.863 30 HG2 GLU 5 HG2 GLU 5 63.124 42.628 22.885 31 HG3 GLU 5 HG3 GLU 5 64.717 42.743 23.624 32 H LEU 6 H LEU 6 60.992 41.200 24.662 33 HA LEU 6 HA LEU 6 62.175 42.765 26.875 34 HB2 LEU 6 HB2 LEU 6 59.363 42.775 25.790 35 HB3 LEU 6 HB3 LEU 6 60.068 43.814 27.007 36 HG LEU 6 HG LEU 6 59.991 45.152 25.164 37 HD11 LEU 6 HD11 LEU 6 62.864 44.206 25.271 38 HD12 LEU 6 HD12 LEU 6 62.265 45.724 24.596 39 HD13 LEU 6 HD13 LEU 6 62.016 45.393 26.317 40 HD21 LEU 6 HD21 LEU 6 61.370 44.292 22.973 41 HD22 LEU 6 HD22 LEU 6 60.564 42.793 23.467 42 HD23 LEU 6 HD23 LEU 6 59.629 44.287 23.212 43 H ARG 7 H ARG 7 61.029 42.833 28.742 44 HA ARG 7 HA ARG 7 60.631 40.660 30.434 45 HB2 ARG 7 HB2 ARG 7 59.177 43.338 30.470 46 HB3 ARG 7 HB3 ARG 7 59.535 42.322 31.872 47 HG2 ARG 7 HG2 ARG 7 60.979 43.954 32.185 48 HG3 ARG 7 HG3 ARG 7 62.022 42.830 31.356 49 HD2 ARG 7 HD2 ARG 7 62.385 45.151 30.532 50 HD3 ARG 7 HD3 ARG 7 61.648 44.222 29.218 51 HE ARG 7 HE ARG 7 59.677 45.545 30.922 52 HH11 ARG 7 HH11 ARG 7 61.798 46.687 28.377 53 HH12 ARG 7 HH12 ARG 7 60.498 47.622 27.668 54 HH21 ARG 7 HH21 ARG 7 58.169 46.634 29.907 55 HH22 ARG 7 HH22 ARG 7 58.563 47.566 28.477 56 H ARG 8 H ARG 8 58.849 39.349 30.972 57 HA ARG 8 HA ARG 8 56.437 39.403 29.236 58 HB2 ARG 8 HB2 ARG 8 56.764 37.148 28.593 59 HB3 ARG 8 HB3 ARG 8 58.279 38.032 28.328 60 HG2 ARG 8 HG2 ARG 8 59.122 37.079 30.495 61 HG3 ARG 8 HG3 ARG 8 57.652 36.061 30.541 62 HD2 ARG 8 HD2 ARG 8 58.247 35.112 28.329 63 HD3 ARG 8 HD3 ARG 8 59.662 36.148 28.269 64 HE ARG 8 HE ARG 8 59.622 34.459 30.694 65 HH11 ARG 8 HH11 ARG 8 60.364 34.308 27.230 66 HH12 ARG 8 HH12 ARG 8 61.508 33.029 27.493 67 HH21 ARG 8 HH21 ARG 8 60.958 32.776 30.837 68 HH22 ARG 8 HH22 ARG 8 61.653 32.002 29.447 69 H GLN 9 H GLN 9 56.738 39.793 32.351 70 HA GLN 9 HA GLN 9 54.853 37.758 33.347 71 HB2 GLN 9 HB2 GLN 9 55.650 40.443 34.537 72 HB3 GLN 9 HB3 GLN 9 54.640 39.276 35.334 73 HG2 GLN 9 HG2 GLN 9 57.557 38.800 34.540 74 HG3 GLN 9 HG3 GLN 9 56.922 39.054 36.172 75 HE21 GLN 9 HE22 GLN 9 55.628 37.503 37.162 76 HE22 GLN 9 HE21 GLN 9 55.736 35.820 36.703 77 H GLN 10 H GLN 10 52.598 38.424 34.147 78 HA GLN 10 HA GLN 10 51.291 39.584 31.873 79 HB2 GLN 10 HB2 GLN 10 49.195 38.942 32.858 80 HB3 GLN 10 HB3 GLN 10 50.383 37.646 32.810 81 HG2 GLN 10 HG2 GLN 10 50.791 38.059 35.304 82 HG3 GLN 10 HG3 GLN 10 49.455 39.200 35.247 83 HE21 GLN 10 HE22 GLN 10 50.170 35.658 34.522 84 HE22 GLN 10 HE21 GLN 10 48.600 35.182 35.152 85 H ALA 11 H ALA 11 50.566 40.703 35.216 86 HA ALA 11 HA ALA 11 51.012 43.452 34.507 87 HB1 ALA 11 HB1 ALA 11 48.839 44.312 34.332 88 HB2 ALA 11 HB2 ALA 11 48.738 42.843 33.348 89 HB3 ALA 11 HB3 ALA 11 48.080 42.854 34.997 90 H LEU 12 H LEU 12 50.015 44.949 36.165 91 HA LEU 12 HA LEU 12 50.527 44.068 38.956 92 HB2 LEU 12 HB2 LEU 12 50.547 46.736 37.510 93 HB3 LEU 12 HB3 LEU 12 51.115 46.516 39.156 94 HG LEU 12 HG LEU 12 52.330 45.425 36.590 95 HD11 LEU 12 HD11 LEU 12 54.321 46.608 37.143 96 HD12 LEU 12 HD12 LEU 12 52.989 47.769 37.158 97 HD13 LEU 12 HD13 LEU 12 53.634 47.162 38.702 98 HD21 LEU 12 HD21 LEU 12 53.134 44.832 39.479 99 HD22 LEU 12 HD22 LEU 12 52.566 43.661 38.275 100 HD23 LEU 12 HD23 LEU 12 54.132 44.461 38.054 101 H ALA 13 H ALA 13 49.341 44.765 40.603 102 HA ALA 13 HA ALA 13 47.175 46.683 40.155 103 HB1 ALA 13 HB1 ALA 13 46.147 44.479 39.770 104 HB2 ALA 13 HB2 ALA 13 46.698 43.924 41.357 105 HB3 ALA 13 HB3 ALA 13 45.501 45.258 41.219 106 H GLU 14 H GLU 14 48.738 44.688 42.729 107 HA GLU 14 HA GLU 14 49.277 45.021 44.885 108 HB2 GLU 14 HB2 GLU 14 50.622 46.759 43.328 109 HB3 GLU 14 HB3 GLU 14 49.857 47.919 44.401 110 HG2 GLU 14 HG2 GLU 14 50.717 46.233 46.288 111 HG3 GLU 14 HG3 GLU 14 51.689 45.572 45.001 112 H ALA 15 H ALA 15 46.632 46.812 43.978 113 HA ALA 15 HA ALA 15 45.475 46.874 46.675 114 HB1 ALA 15 HB1 ALA 15 44.890 49.379 46.002 115 HB2 ALA 15 HB2 ALA 15 46.542 49.057 46.603 116 HB3 ALA 15 HB3 ALA 15 46.232 49.186 44.866 117 H ASP 16 H ASP 16 43.142 47.553 46.509 118 HA ASP 16 HA ASP 16 41.909 47.243 43.802 119 HB2 ASP 16 HB2 ASP 16 40.778 46.326 46.454 120 HB3 ASP 16 HB3 ASP 16 40.041 46.064 44.871 121 H ARG 17 H ARG 17 41.811 48.991 46.882 122 HA ARG 17 HA ARG 17 39.619 50.813 46.017 123 HB2 ARG 17 HB2 ARG 17 41.400 50.922 48.510 124 HB3 ARG 17 HB3 ARG 17 39.942 51.825 48.253 125 HG2 ARG 17 HG2 ARG 17 40.092 48.821 48.740 126 HG3 ARG 17 HG3 ARG 17 39.451 50.063 49.797 127 HD2 ARG 17 HD2 ARG 17 37.801 50.667 47.907 128 HD3 ARG 17 HD3 ARG 17 38.300 49.172 47.115 129 HE ARG 17 HE ARG 17 37.154 47.885 48.700 130 HH11 ARG 17 HH11 ARG 17 36.769 51.254 49.635 131 HH12 ARG 17 HH12 ARG 17 36.048 50.768 51.142 132 HH21 ARG 17 HH21 ARG 17 36.545 47.409 50.623 133 HH22 ARG 17 HH22 ARG 17 36.015 48.659 51.736 134 H THR 18 H THR 18 42.904 50.386 45.709 135 HA THR 18 HA THR 18 43.273 53.198 44.792 136 HB THR 18 HB THR 18 45.509 51.602 46.061 137 HG1 THR 18 HG1 THR 18 45.102 52.938 47.775 138 HG21 THR 18 HG21 THR 18 45.277 54.615 45.634 139 HG22 THR 18 HG22 THR 18 46.727 53.637 45.951 140 HG23 THR 18 HG23 THR 18 45.943 53.557 44.381 141 H LEU 19 H LEU 19 44.063 53.409 42.854 142 HA LEU 19 HA LEU 19 44.163 50.965 41.226 143 HB2 LEU 19 HB2 LEU 19 42.396 52.488 40.701 144 HB3 LEU 19 HB3 LEU 19 43.500 53.883 40.672 145 HG LEU 19 HG LEU 19 44.605 52.980 38.667 146 HD11 LEU 19 HD11 LEU 19 43.420 51.177 37.400 147 HD12 LEU 19 HD12 LEU 19 44.024 50.564 38.946 148 HD13 LEU 19 HD13 LEU 19 42.311 50.972 38.795 149 HD21 LEU 19 HD21 LEU 19 43.039 53.668 37.087 150 HD22 LEU 19 HD22 LEU 19 41.636 53.288 38.099 151 HD23 LEU 19 HD23 LEU 19 42.702 54.632 38.534 152 H PHE 20 H PHE 20 45.776 50.295 40.103 153 HA PHE 20 HA PHE 20 48.335 51.573 40.220 154 HB2 PHE 20 HB2 PHE 20 47.825 49.146 40.407 155 HB3 PHE 20 HB3 PHE 20 47.392 49.118 38.682 156 HD1 PHE 20 HD1 PHE 20 49.337 50.017 37.012 157 HD2 PHE 20 HD2 PHE 20 49.945 48.797 41.105 158 HE1 PHE 20 HE1 PHE 20 51.766 50.392 36.762 159 HE2 PHE 20 HE2 PHE 20 52.389 49.094 40.824 160 HZ PHE 20 HZ PHE 20 53.298 49.926 38.665 161 H VAL 21 H VAL 21 49.362 52.777 38.736 162 HA VAL 21 HA VAL 21 48.577 52.769 35.895 163 HB VAL 21 HB VAL 21 48.747 55.242 37.658 164 HG11 VAL 21 HG11 VAL 21 49.385 55.593 35.235 165 HG12 VAL 21 HG12 VAL 21 47.804 54.941 34.769 166 HG13 VAL 21 HG13 VAL 21 47.915 56.444 35.745 167 HG21 VAL 21 HG21 VAL 21 46.279 53.849 36.533 168 HG22 VAL 21 HG22 VAL 21 46.624 54.248 38.226 169 HG23 VAL 21 HG23 VAL 21 46.273 55.538 37.103 170 H GLY 22 H GLY 22 50.319 52.776 34.729 171 HA2 GLY 22 HA2 GLY 22 52.960 53.744 35.733 172 HA3 GLY 22 HA3 GLY 22 52.864 52.169 35.029 173 H ASN 23 H ASN 23 54.497 53.543 33.665 174 HA ASN 23 HA ASN 23 55.166 54.340 31.680 175 HB2 ASN 23 HB2 ASN 23 52.986 53.038 30.885 176 HB3 ASN 23 HB3 ASN 23 52.371 54.645 30.637 177 HD21 ASN 23 HD21 ASN 23 52.335 54.750 28.476 178 HD22 ASN 23 HD22 ASN 23 53.680 54.464 27.391 179 H LEU 24 H LEU 24 54.261 55.988 33.993 180 HA LEU 24 HA LEU 24 53.005 58.471 33.301 181 HB2 LEU 24 HB2 LEU 24 54.972 57.714 35.507 182 HB3 LEU 24 HB3 LEU 24 54.272 59.277 35.286 183 HG LEU 24 HG LEU 24 53.328 57.513 37.041 184 HD11 LEU 24 HD11 LEU 24 51.617 59.309 35.361 185 HD12 LEU 24 HD12 LEU 24 51.119 58.573 36.921 186 HD13 LEU 24 HD13 LEU 24 52.470 59.700 36.881 187 HD21 LEU 24 HD21 LEU 24 52.761 55.756 35.276 188 HD22 LEU 24 HD22 LEU 24 51.332 56.272 36.200 189 HD23 LEU 24 HD23 LEU 24 51.625 56.878 34.558 190 H GLU 25 H GLU 25 53.822 60.361 32.520 191 HA GLU 25 HA GLU 25 56.354 60.435 31.379 192 HB2 GLU 25 HB2 GLU 25 54.147 62.264 32.152 193 HB3 GLU 25 HB3 GLU 25 55.651 63.112 31.745 194 HG2 GLU 25 HG2 GLU 25 55.466 62.555 29.481 195 HG3 GLU 25 HG3 GLU 25 54.775 61.025 29.778 196 H THR 26 H THR 26 57.942 62.105 31.651 197 HA THR 26 HA THR 26 59.477 61.497 33.993 198 HB THR 26 HB THR 26 61.201 62.862 32.929 199 HG1 THR 26 HG1 THR 26 60.648 64.027 31.166 200 HG21 THR 26 HG21 THR 26 59.655 61.257 30.852 201 HG22 THR 26 HG22 THR 26 61.279 61.903 30.628 202 HG23 THR 26 HG23 THR 26 60.997 60.687 31.899 203 H LYS 27 H LYS 27 57.590 64.231 32.931 204 HA LYS 27 HA LYS 27 58.098 66.008 35.264 205 HB2 LYS 27 HB2 LYS 27 58.318 66.612 32.737 206 HB3 LYS 27 HB3 LYS 27 56.569 66.599 32.720 207 HG2 LYS 27 HG2 LYS 27 57.132 68.854 32.883 208 HG3 LYS 27 HG3 LYS 27 56.653 68.479 34.501 209 HD2 LYS 27 HD2 LYS 27 58.587 69.881 34.516 210 HD3 LYS 27 HD3 LYS 27 59.010 68.298 35.211 211 HE2 LYS 27 HE2 LYS 27 60.305 67.716 33.313 212 HE3 LYS 27 HE3 LYS 27 59.665 69.039 32.344 213 HZ1 LYS 27 HZ1 LYS 27 60.820 70.607 33.694 214 HZ2 LYS 27 HZ2 LYS 27 61.268 69.483 34.785 215 HZ3 LYS 27 HZ3 LYS 27 61.887 69.453 33.290 216 H VAL 28 H VAL 28 55.980 63.590 34.936 217 HA VAL 28 HA VAL 28 53.412 64.676 35.149 218 HB VAL 28 HB VAL 28 54.139 62.300 34.672 219 HG11 VAL 28 HG11 VAL 28 55.629 62.227 36.746 220 HG12 VAL 28 HG12 VAL 28 54.136 61.986 37.692 221 HG13 VAL 28 HG13 VAL 28 54.673 60.777 36.496 222 HG21 VAL 28 HG21 VAL 28 51.980 62.358 36.781 223 HG22 VAL 28 HG22 VAL 28 51.761 63.174 35.227 224 HG23 VAL 28 HG23 VAL 28 52.064 61.453 35.227 225 H THR 29 H THR 29 51.949 64.536 37.132 226 HA THR 29 HA THR 29 53.055 64.825 39.836 227 HB THR 29 HB THR 29 51.878 67.133 40.048 228 HG1 THR 29 HG1 THR 29 51.822 68.245 38.292 229 HG21 THR 29 HG21 THR 29 54.429 67.354 38.491 230 HG22 THR 29 HG22 THR 29 53.904 68.238 39.958 231 HG23 THR 29 HG23 THR 29 54.433 66.585 40.100 232 H GLU 30 H GLU 30 51.391 65.208 41.456 233 HA GLU 30 HA GLU 30 49.112 63.599 41.026 234 HB2 GLU 30 HB2 GLU 30 49.319 65.652 43.277 235 HB3 GLU 30 HB3 GLU 30 48.319 64.209 43.231 236 HG2 GLU 30 HG2 GLU 30 50.386 62.795 43.075 237 HG3 GLU 30 HG3 GLU 30 51.355 64.273 43.236 238 H GLU 31 H GLU 31 49.589 66.978 40.332 239 HA GLU 31 HA GLU 31 46.825 67.844 40.189 240 HB2 GLU 31 HB2 GLU 31 49.301 68.941 38.821 241 HB3 GLU 31 HB3 GLU 31 47.731 69.742 38.893 242 HG2 GLU 31 HG2 GLU 31 47.772 69.536 41.404 243 HG3 GLU 31 HG3 GLU 31 49.467 69.109 41.293 244 H LEU 32 H LEU 32 49.125 66.584 37.757 245 HA LEU 32 HA LEU 32 47.197 66.752 35.574 246 HB2 LEU 32 HB2 LEU 32 49.497 66.959 35.002 247 HB3 LEU 32 HB3 LEU 32 49.952 65.496 35.878 248 HG LEU 32 HG LEU 32 48.941 64.066 34.174 249 HD11 LEU 32 HD11 LEU 32 48.381 66.684 32.672 250 HD12 LEU 32 HD12 LEU 32 48.077 65.053 32.036 251 HD13 LEU 32 HD13 LEU 32 47.084 65.678 33.337 252 HD21 LEU 32 HD21 LEU 32 51.292 64.928 33.954 253 HD22 LEU 32 HD22 LEU 32 50.553 64.632 32.381 254 HD23 LEU 32 HD23 LEU 32 50.658 66.293 33.014 255 H LEU 33 H LEU 33 48.286 64.094 37.741 256 HA LEU 33 HA LEU 33 46.654 62.146 36.413 257 HB2 LEU 33 HB2 LEU 33 47.318 62.360 39.334 258 HB3 LEU 33 HB3 LEU 33 46.779 60.879 38.508 259 HG LEU 33 HG LEU 33 49.435 62.272 37.961 260 HD11 LEU 33 HD11 LEU 33 48.814 59.851 39.692 261 HD12 LEU 33 HD12 LEU 33 50.388 60.120 38.905 262 HD13 LEU 33 HD13 LEU 33 49.749 61.305 40.053 263 HD21 LEU 33 HD21 LEU 33 48.351 59.667 36.860 264 HD22 LEU 33 HD22 LEU 33 48.531 61.216 35.982 265 HD23 LEU 33 HD23 LEU 33 49.956 60.396 36.533 266 H PHE 34 H PHE 34 45.920 64.402 39.121 267 HA PHE 34 HA PHE 34 43.243 63.671 39.546 268 HB2 PHE 34 HB2 PHE 34 44.680 65.265 40.925 269 HB3 PHE 34 HB3 PHE 34 44.378 66.502 39.728 270 HD1 PHE 34 HD2 PHE 34 42.966 64.469 42.437 271 HD2 PHE 34 HD1 PHE 34 42.146 67.583 39.576 272 HE1 PHE 34 HE2 PHE 34 41.055 65.225 43.809 273 HE2 PHE 34 HE1 PHE 34 40.265 68.380 40.991 274 HZ PHE 34 HZ PHE 34 39.792 67.248 43.173 275 H GLU 35 H GLU 35 44.397 66.198 37.185 276 HA GLU 35 HA GLU 35 41.658 66.523 36.288 277 HB2 GLU 35 HB2 GLU 35 42.316 67.907 34.568 278 HB3 GLU 35 HB3 GLU 35 43.186 68.372 36.038 279 HG2 GLU 35 HG2 GLU 35 45.236 67.371 35.073 280 HG3 GLU 35 HG3 GLU 35 44.333 66.915 33.623 281 H LEU 36 H LEU 36 44.274 64.385 35.255 282 HA LEU 36 HA LEU 36 43.026 63.568 32.831 283 HB2 LEU 36 HB2 LEU 36 45.357 63.364 33.161 284 HB3 LEU 36 HB3 LEU 36 45.146 62.383 34.623 285 HG LEU 36 HG LEU 36 43.975 61.305 32.070 286 HD11 LEU 36 HD11 LEU 36 46.934 61.368 32.709 287 HD12 LEU 36 HD12 LEU 36 46.124 60.300 31.504 288 HD13 LEU 36 HD13 LEU 36 46.118 62.080 31.303 289 HD21 LEU 36 HD21 LEU 36 44.859 59.182 33.110 290 HD22 LEU 36 HD22 LEU 36 45.620 60.153 34.378 291 HD23 LEU 36 HD23 LEU 36 43.845 60.075 34.265 292 H PHE 37 H PHE 37 42.924 62.138 36.155 293 HA PHE 37 HA PHE 37 40.919 60.167 35.309 294 HB2 PHE 37 HB2 PHE 37 42.290 60.677 37.932 295 HB3 PHE 37 HB3 PHE 37 41.167 59.343 37.636 296 HD1 PHE 37 HD2 PHE 37 41.772 57.977 35.300 297 HD2 PHE 37 HD1 PHE 37 44.488 60.044 37.918 298 HE1 PHE 37 HE2 PHE 37 43.666 56.519 34.517 299 HE2 PHE 37 HE1 PHE 37 46.356 58.623 37.121 300 HZ PHE 37 HZ PHE 37 45.912 56.872 35.352 301 H HIS 38 H HIS 38 40.425 63.377 35.790 302 HA HIS 38 HA HIS 38 38.311 63.602 37.684 303 HB2 HIS 38 HB2 HIS 38 39.300 65.573 36.676 304 HB3 HIS 38 HB3 HIS 38 38.871 65.001 35.060 305 HD2 HIS 38 HD2 HIS 38 37.034 66.315 34.109 306 HE1 HIS 38 HE1 HIS 38 34.638 66.995 37.566 307 HE2 HIS 38 HE2 HIS 38 34.824 67.393 35.086 308 H GLN 39 H GLN 39 38.031 62.884 34.175 309 HA GLN 39 HA GLN 39 35.218 62.396 34.310 310 HB2 GLN 39 HB2 GLN 39 37.433 61.819 32.320 311 HB3 GLN 39 HB3 GLN 39 35.771 61.368 31.982 312 HG2 GLN 39 HG2 GLN 39 35.065 63.760 32.171 313 HG3 GLN 39 HG3 GLN 39 36.713 64.224 32.569 314 HE21 GLN 39 HE22 GLN 39 35.160 65.304 30.274 315 HE22 GLN 39 HE21 GLN 39 35.994 64.698 28.843 316 H ALA 40 H ALA 40 37.658 60.404 35.529 317 HA ALA 40 HA ALA 40 36.526 57.919 34.388 318 HB1 ALA 40 HB1 ALA 40 39.261 58.599 35.477 319 HB2 ALA 40 HB2 ALA 40 38.758 56.909 35.293 320 HB3 ALA 40 HB3 ALA 40 38.826 57.925 33.881 321 H GLY 41 H GLY 41 34.968 59.067 36.294 322 HA2 GLY 41 HA2 GLY 41 33.586 58.192 37.924 323 HA3 GLY 41 HA3 GLY 41 34.700 56.850 38.142 324 HA PRO 42 HA PRO 42 34.838 59.783 41.646 325 HB2 PRO 42 HB2 PRO 42 34.117 58.232 43.760 326 HB3 PRO 42 HB3 PRO 42 32.960 58.937 42.609 327 HG2 PRO 42 HG2 PRO 42 33.977 56.103 42.697 328 HG3 PRO 42 HG3 PRO 42 32.344 56.670 42.285 329 HD2 PRO 42 HD2 PRO 42 34.274 55.960 40.424 330 HD3 PRO 42 HD3 PRO 42 32.933 57.057 40.067 331 H VAL 43 H VAL 43 37.075 59.973 41.236 332 HA VAL 43 HA VAL 43 39.126 58.573 42.804 333 HB VAL 43 HB VAL 43 39.256 61.301 41.430 334 HG11 VAL 43 HG11 VAL 43 41.639 59.821 42.632 335 HG12 VAL 43 HG12 VAL 43 41.637 61.341 41.736 336 HG13 VAL 43 HG13 VAL 43 40.893 61.282 43.309 337 HG21 VAL 43 HG21 VAL 43 40.686 60.141 39.815 338 HG22 VAL 43 HG22 VAL 43 40.441 58.601 40.684 339 HG23 VAL 43 HG23 VAL 43 39.075 59.410 39.883 340 H ILE 44 H ILE 44 39.597 58.830 44.824 341 HA ILE 44 HA ILE 44 38.335 60.879 46.524 342 HB ILE 44 HB ILE 44 40.097 58.475 47.127 343 HG12 ILE 44 HG12 ILE 44 37.119 59.027 47.145 344 HG13 ILE 44 HG13 ILE 44 37.959 57.678 46.433 345 HG21 ILE 44 HG21 ILE 44 38.873 60.468 49.062 346 HG22 ILE 44 HG22 ILE 44 39.652 58.930 49.539 347 HG23 ILE 44 HG23 ILE 44 40.596 60.162 48.770 348 HD11 ILE 44 HD11 ILE 44 37.137 58.162 49.273 349 HD12 ILE 44 HD12 ILE 44 36.849 56.735 48.233 350 HD13 ILE 44 HD13 ILE 44 38.429 56.983 48.978 351 H LYS 45 H LYS 45 41.551 59.598 45.823 352 HA LYS 45 HA LYS 45 42.859 62.182 46.006 353 HB2 LYS 45 HB2 LYS 45 44.293 61.862 47.843 354 HB3 LYS 45 HB3 LYS 45 42.733 61.391 48.447 355 HG2 LYS 45 HG2 LYS 45 43.745 58.985 47.488 356 HG3 LYS 45 HG3 LYS 45 45.190 59.776 48.091 357 HD2 LYS 45 HD2 LYS 45 42.601 59.066 49.490 358 HD3 LYS 45 HD3 LYS 45 44.179 58.330 49.779 359 HE2 LYS 45 HE2 LYS 45 43.541 61.202 50.568 360 HE3 LYS 45 HE3 LYS 45 43.161 59.827 51.564 361 HZ1 LYS 45 HZ1 LYS 45 45.302 60.812 52.092 362 HZ2 LYS 45 HZ2 LYS 45 45.556 59.260 51.643 363 HZ3 LYS 45 HZ3 LYS 45 45.880 60.543 50.660 364 H VAL 46 H VAL 46 45.045 62.178 45.334 365 HA VAL 46 HA VAL 46 45.835 59.854 43.609 366 HB VAL 46 HB VAL 46 46.395 62.835 43.320 367 HG11 VAL 46 HG11 VAL 46 47.194 60.639 41.394 368 HG12 VAL 46 HG12 VAL 46 47.425 62.432 41.241 369 HG13 VAL 46 HG13 VAL 46 48.317 61.545 42.431 370 HG21 VAL 46 HG21 VAL 46 44.096 62.407 42.646 371 HG22 VAL 46 HG22 VAL 46 45.067 62.730 41.228 372 HG23 VAL 46 HG23 VAL 46 44.597 61.060 41.600 373 H LYS 47 H LYS 47 47.932 59.046 43.709 374 HA LYS 47 HA LYS 47 49.923 60.384 45.468 375 HB2 LYS 47 HB2 LYS 47 49.204 58.448 46.645 376 HB3 LYS 47 HB3 LYS 47 49.187 57.458 45.191 377 HG2 LYS 47 HG2 LYS 47 51.023 56.769 46.570 378 HG3 LYS 47 HG3 LYS 47 51.623 57.480 45.073 379 HD2 LYS 47 HD2 LYS 47 51.948 59.650 46.554 380 HD3 LYS 47 HD3 LYS 47 51.642 58.568 47.913 381 HE2 LYS 47 HE2 LYS 47 53.515 57.100 47.217 382 HE3 LYS 47 HE3 LYS 47 53.827 58.080 45.823 383 HZ1 LYS 47 HZ1 LYS 47 54.560 58.597 48.571 384 HZ2 LYS 47 HZ2 LYS 47 55.286 59.057 47.229 385 HZ3 LYS 47 HZ3 LYS 47 54.026 59.914 47.769 386 H ILE 48 H ILE 48 51.731 60.850 44.791 387 HA ILE 48 HA ILE 48 52.941 59.661 42.337 388 HB ILE 48 HB ILE 48 52.870 62.505 43.302 389 HG12 ILE 48 HG12 ILE 48 51.415 61.483 41.453 390 HG13 ILE 48 HG13 ILE 48 52.286 63.000 41.095 391 HG21 ILE 48 HG21 ILE 48 55.203 61.323 41.836 392 HG22 ILE 48 HG22 ILE 48 54.714 63.044 41.647 393 HG23 ILE 48 HG23 ILE 48 55.188 62.428 43.222 394 HD11 ILE 48 HD11 ILE 48 53.069 60.263 40.056 395 HD12 ILE 48 HD12 ILE 48 52.277 61.594 39.181 396 HD13 ILE 48 HD13 ILE 48 53.925 61.811 39.780 397 HA PRO 49 HA PRO 49 56.116 58.569 45.356 398 HB2 PRO 49 HB2 PRO 49 57.509 56.876 43.622 399 HB3 PRO 49 HB3 PRO 49 56.085 56.392 44.594 400 HG2 PRO 49 HG2 PRO 49 56.267 57.242 41.677 401 HG3 PRO 49 HG3 PRO 49 55.339 55.884 42.336 402 HD2 PRO 49 HD2 PRO 49 54.280 58.294 41.710 403 HD3 PRO 49 HD3 PRO 49 53.630 57.372 43.093 404 H LYS 50 H LYS 50 58.578 58.536 45.199 405 HA LYS 50 HA LYS 50 59.881 60.006 43.096 406 HB2 LYS 50 HB2 LYS 50 59.442 61.334 45.788 407 HB3 LYS 50 HB3 LYS 50 60.962 61.549 44.924 408 HG2 LYS 50 HG2 LYS 50 59.090 61.895 42.896 409 HG3 LYS 50 HG3 LYS 50 58.288 62.670 44.249 410 HD2 LYS 50 HD2 LYS 50 60.189 64.154 44.594 411 HD3 LYS 50 HD3 LYS 50 61.137 63.290 43.373 412 HE2 LYS 50 HE2 LYS 50 59.122 63.667 41.759 413 HE3 LYS 50 HE3 LYS 50 58.523 64.808 42.967 414 HZ1 LYS 50 HZ1 LYS 50 60.603 65.958 42.742 415 HZ2 LYS 50 HZ2 LYS 50 61.097 64.990 41.518 416 HZ3 LYS 50 HZ3 LYS 50 59.754 65.988 41.376 417 H ASP 51 H ASP 51 61.300 58.487 42.738 418 HA ASP 51 HA ASP 51 62.779 56.646 44.053 419 HB2 ASP 51 HB2 ASP 51 62.725 57.093 41.646 420 HB3 ASP 51 HB3 ASP 51 63.682 58.562 41.867 421 H LYS 52 H LYS 52 64.962 56.397 44.685 422 HA LYS 52 HA LYS 52 66.133 58.126 46.508 423 HB2 LYS 52 HB2 LYS 52 68.213 56.939 46.123 424 HB3 LYS 52 HB3 LYS 52 66.894 55.772 46.082 425 HG2 LYS 52 HG2 LYS 52 67.836 55.026 44.216 426 HG3 LYS 52 HG3 LYS 52 67.096 56.397 43.407 427 HD2 LYS 52 HD2 LYS 52 69.132 57.721 43.521 428 HD3 LYS 52 HD3 LYS 52 69.900 56.588 44.626 429 HE2 LYS 52 HE2 LYS 52 70.197 54.950 43.035 430 HE3 LYS 52 HE3 LYS 52 68.920 55.576 41.966 431 HZ1 LYS 52 HZ1 LYS 52 71.150 56.089 41.103 432 HZ2 LYS 52 HZ2 LYS 52 70.336 57.474 41.513 433 HZ3 LYS 52 HZ3 LYS 52 71.472 56.931 42.478 434 H ASP 53 H ASP 53 66.437 58.427 42.927 435 HA ASP 53 HA ASP 53 68.022 60.830 43.373 436 HB2 ASP 53 HB2 ASP 53 68.360 59.131 41.474 437 HB3 ASP 53 HB3 ASP 53 66.962 59.860 40.709 438 H GLY 54 H GLY 54 64.615 60.293 43.301 439 HA2 GLY 54 HA2 GLY 54 63.098 62.010 43.862 440 HA3 GLY 54 HA3 GLY 54 64.152 63.216 43.168 441 H LYS 55 H LYS 55 62.675 60.208 41.894 442 HA LYS 55 HA LYS 55 61.037 61.721 39.930 443 HB2 LYS 55 HB2 LYS 55 63.263 60.906 39.000 444 HB3 LYS 55 HB3 LYS 55 62.678 59.257 39.238 445 HG2 LYS 55 HG2 LYS 55 62.334 59.645 36.985 446 HG3 LYS 55 HG3 LYS 55 60.744 59.820 37.663 447 HD2 LYS 55 HD2 LYS 55 60.659 61.823 36.523 448 HD3 LYS 55 HD3 LYS 55 61.722 62.451 37.768 449 HE2 LYS 55 HE2 LYS 55 63.662 61.466 36.280 450 HE3 LYS 55 HE3 LYS 55 62.432 61.277 35.035 451 HZ1 LYS 55 HZ1 LYS 55 62.077 63.781 35.334 452 HZ2 LYS 55 HZ2 LYS 55 63.353 63.762 36.310 453 HZ3 LYS 55 HZ3 LYS 55 63.567 63.348 34.770 454 HA PRO 56 HA PRO 56 57.905 58.827 41.217 455 HB2 PRO 56 HB2 PRO 56 56.092 59.065 39.127 456 HB3 PRO 56 HB3 PRO 56 56.273 60.266 40.439 457 HG2 PRO 56 HG2 PRO 56 57.535 60.181 37.714 458 HG3 PRO 56 HG3 PRO 56 56.794 61.628 38.530 459 HD2 PRO 56 HD2 PRO 56 59.462 61.306 38.431 460 HD3 PRO 56 HD3 PRO 56 58.717 61.908 39.921 461 H LYS 57 H LYS 57 60.092 57.919 39.160 462 HA LYS 57 HA LYS 57 60.666 55.973 37.946 463 HB2 LYS 57 HB2 LYS 57 58.558 54.749 39.768 464 HB3 LYS 57 HB3 LYS 57 60.009 53.940 39.111 465 HG2 LYS 57 HG2 LYS 57 60.881 54.332 41.090 466 HG3 LYS 57 HG3 LYS 57 61.111 55.993 40.524 467 HD2 LYS 57 HD2 LYS 57 59.103 56.756 41.662 468 HD3 LYS 57 HD3 LYS 57 58.570 55.102 42.008 469 HE2 LYS 57 HE2 LYS 57 61.327 55.766 42.813 470 HE3 LYS 57 HE3 LYS 57 60.092 56.697 43.684 471 HZ1 LYS 57 HZ1 LYS 57 60.623 54.635 44.831 472 HZ2 LYS 57 HZ2 LYS 57 59.075 54.575 44.340 473 HZ3 LYS 57 HZ3 LYS 57 60.248 53.746 43.564 474 H GLN 58 H GLN 58 58.422 57.481 36.773 475 HA GLN 58 HA GLN 58 56.953 57.385 35.257 476 HB2 GLN 58 HB2 GLN 58 58.291 54.847 34.369 477 HB3 GLN 58 HB3 GLN 58 57.007 55.735 33.524 478 HG2 GLN 58 HG2 GLN 58 58.727 57.800 33.833 479 HG3 GLN 58 HG3 GLN 58 59.935 56.519 33.954 480 HE21 GLN 58 HE22 GLN 58 57.621 58.130 31.952 481 HE22 GLN 58 HE21 GLN 58 57.692 57.006 30.605 482 H PHE 59 H PHE 59 55.996 56.497 37.774 483 HA PHE 59 HA PHE 59 53.578 55.057 37.074 484 HB2 PHE 59 HB2 PHE 59 53.739 53.141 38.266 485 HB3 PHE 59 HB3 PHE 59 55.221 53.291 37.347 486 HD1 PHE 59 HD1 PHE 59 53.895 53.893 40.855 487 HD2 PHE 59 HD2 PHE 59 57.236 52.898 38.340 488 HE1 PHE 59 HE1 PHE 59 55.216 53.267 42.859 489 HE2 PHE 59 HE2 PHE 59 58.512 52.151 40.333 490 HZ PHE 59 HZ PHE 59 57.499 52.296 42.589 491 H ALA 60 H ALA 60 52.033 54.877 38.900 492 HA ALA 60 HA ALA 60 52.321 56.593 41.251 493 HB1 ALA 60 HB1 ALA 60 52.165 58.280 39.492 494 HB2 ALA 60 HB2 ALA 60 50.656 57.504 38.898 495 HB3 ALA 60 HB3 ALA 60 50.725 58.269 40.512 496 H PHE 61 H PHE 61 50.135 56.926 42.347 497 HA PHE 61 HA PHE 61 48.260 54.697 41.777 498 HB2 PHE 61 HB2 PHE 61 49.536 55.373 44.425 499 HB3 PHE 61 HB3 PHE 61 47.943 54.702 44.361 500 HD1 PHE 61 HD1 PHE 61 47.607 52.328 43.422 501 HD2 PHE 61 HD2 PHE 61 51.480 54.202 43.256 502 HE1 PHE 61 HE1 PHE 61 48.665 50.130 42.985 503 HE2 PHE 61 HE2 PHE 61 52.505 52.031 42.737 504 HZ PHE 61 HZ PHE 61 51.132 49.941 42.831 505 H VAL 62 H VAL 62 46.102 54.941 42.506 506 HA VAL 62 HA VAL 62 45.199 57.713 43.009 507 HB VAL 62 HB VAL 62 44.063 56.141 40.638 508 HG11 VAL 62 HG11 VAL 62 43.603 58.864 41.902 509 HG12 VAL 62 HG12 VAL 62 42.933 58.409 40.319 510 HG13 VAL 62 HG13 VAL 62 42.427 57.527 41.773 511 HG21 VAL 62 HG21 VAL 62 45.808 58.623 40.776 512 HG22 VAL 62 HG22 VAL 62 46.297 57.035 40.115 513 HG23 VAL 62 HG23 VAL 62 45.036 57.984 39.296 514 H ASN 63 H ASN 63 43.970 57.543 44.744 515 HA ASN 63 HA ASN 63 42.608 55.053 45.391 516 HB2 ASN 63 HB2 ASN 63 43.707 56.812 47.018 517 HB3 ASN 63 HB3 ASN 63 42.261 57.758 46.703 518 HD21 ASN 63 HD22 ASN 63 43.022 54.281 47.542 519 HD22 ASN 63 HD21 ASN 63 41.785 54.220 48.773 520 H PHE 64 H PHE 64 40.661 54.534 44.774 521 HA PHE 64 HA PHE 64 38.679 56.604 44.028 522 HB2 PHE 64 HB2 PHE 64 37.919 55.322 42.149 523 HB3 PHE 64 HB3 PHE 64 39.487 56.072 41.934 524 HD1 PHE 64 HD1 PHE 64 40.093 53.009 43.776 525 HD2 PHE 64 HD2 PHE 64 39.027 54.614 39.909 526 HE1 PHE 64 HE1 PHE 64 40.578 50.833 42.728 527 HE2 PHE 64 HE2 PHE 64 39.619 52.462 38.855 528 HZ PHE 64 HZ PHE 64 40.233 50.515 40.283 529 H LYS 65 H LYS 65 36.617 56.095 44.297 530 HA LYS 65 HA LYS 65 36.200 54.541 46.689 531 HB2 LYS 65 HB2 LYS 65 35.236 56.697 46.460 532 HB3 LYS 65 HB3 LYS 65 34.278 56.227 45.047 533 HG2 LYS 65 HG2 LYS 65 32.977 54.658 46.329 534 HG3 LYS 65 HG3 LYS 65 33.965 54.904 47.773 535 HD2 LYS 65 HD2 LYS 65 32.041 56.160 48.130 536 HD3 LYS 65 HD3 LYS 65 33.273 57.358 47.720 537 HE2 LYS 65 HE2 LYS 65 32.414 57.620 45.461 538 HE3 LYS 65 HE3 LYS 65 31.325 56.268 45.638 539 HZ1 LYS 65 HZ1 LYS 65 30.078 57.550 47.255 540 HZ2 LYS 65 HZ2 LYS 65 31.135 58.763 47.230 541 HZ3 LYS 65 HZ3 LYS 65 30.289 58.416 45.871 542 H HIS 66 H HIS 66 36.190 52.379 46.482 543 HA HIS 66 HA HIS 66 35.449 50.283 46.090 544 HB2 HIS 66 HB2 HIS 66 33.405 51.915 46.945 545 HB3 HIS 66 HB3 HIS 66 32.665 51.115 45.561 546 HD2 HIS 66 HD2 HIS 66 32.390 48.397 45.766 547 HE1 HIS 66 HE1 HIS 66 33.716 47.996 49.772 548 HE2 HIS 66 HE2 HIS 66 32.570 46.840 47.843 549 H GLU 67 H GLU 67 36.183 51.745 43.482 550 HA GLU 67 HA GLU 67 34.759 50.045 41.548 551 HB2 GLU 67 HB2 GLU 67 35.431 52.294 40.866 552 HB3 GLU 67 HB3 GLU 67 37.135 51.861 41.026 553 HG2 GLU 67 HG2 GLU 67 36.761 50.067 39.226 554 HG3 GLU 67 HG3 GLU 67 35.060 50.490 39.253 555 H VAL 68 H VAL 68 35.324 48.017 42.865 556 HA VAL 68 HA VAL 68 38.046 47.350 43.341 557 HB VAL 68 HB VAL 68 37.137 45.187 44.161 558 HG11 VAL 68 HG11 VAL 68 37.075 47.239 45.596 559 HG12 VAL 68 HG12 VAL 68 35.370 47.451 45.155 560 HG13 VAL 68 HG13 VAL 68 35.882 45.968 45.972 561 HG21 VAL 68 HG21 VAL 68 35.325 44.750 42.568 562 HG22 VAL 68 HG22 VAL 68 34.702 44.778 44.220 563 HG23 VAL 68 HG23 VAL 68 34.420 46.164 43.169 564 H SER 69 H SER 69 37.007 47.490 40.395 565 HA SER 69 HA SER 69 38.210 45.111 39.161 566 HB2 SER 69 HB2 SER 69 36.057 44.317 40.268 567 HB3 SER 69 HB3 SER 69 35.201 45.454 39.205 568 HG SER 69 HG SER 69 35.436 43.425 38.312 569 H VAL 70 H VAL 70 37.805 45.117 36.796 570 HA VAL 70 HA VAL 70 38.052 46.276 34.819 571 HB VAL 70 HB VAL 70 35.080 46.527 35.376 572 HG11 VAL 70 HG11 VAL 70 36.566 46.271 32.710 573 HG12 VAL 70 HG12 VAL 70 34.819 46.076 32.938 574 HG13 VAL 70 HG13 VAL 70 35.536 47.640 33.205 575 HG21 VAL 70 HG21 VAL 70 35.576 44.254 35.770 576 HG22 VAL 70 HG22 VAL 70 35.103 44.277 34.078 577 HG23 VAL 70 HG23 VAL 70 36.820 44.206 34.490 578 HA PRO 71 HA PRO 71 38.085 50.569 36.903 579 HB2 PRO 71 HB2 PRO 71 40.684 51.210 36.339 580 HB3 PRO 71 HB3 PRO 71 40.139 50.320 37.784 581 HG2 PRO 71 HG2 PRO 71 41.350 49.166 35.258 582 HG3 PRO 71 HG3 PRO 71 41.670 48.735 36.957 583 HD2 PRO 71 HD2 PRO 71 39.979 47.314 35.326 584 HD3 PRO 71 HD3 PRO 71 39.709 47.440 37.076 585 H TYR 72 H TYR 72 37.205 52.204 35.822 586 HA TYR 72 HA TYR 72 36.574 51.967 33.106 587 HB2 TYR 72 HB2 TYR 72 35.329 53.207 34.962 588 HB3 TYR 72 HB3 TYR 72 36.475 54.500 34.788 589 HD1 TYR 72 HD2 TYR 72 34.159 52.408 32.650 590 HD2 TYR 72 HD1 TYR 72 35.711 56.287 33.567 591 HE1 TYR 72 HE2 TYR 72 32.591 53.437 30.972 592 HE2 TYR 72 HE1 TYR 72 34.183 57.323 31.872 593 HH TYR 72 HH TYR 72 32.638 56.777 30.069 594 H ALA 73 H ALA 73 39.212 53.840 34.574 595 HA ALA 73 HA ALA 73 39.840 55.425 32.319 596 HB1 ALA 73 HB1 ALA 73 41.476 54.491 34.694 597 HB2 ALA 73 HB2 ALA 73 42.087 55.614 33.428 598 HB3 ALA 73 HB3 ALA 73 40.742 56.088 34.450 599 H MET 74 H MET 74 40.577 52.015 32.725 600 HA MET 74 HA MET 74 42.834 51.717 31.040 601 HB2 MET 74 HB2 MET 74 42.227 49.445 30.830 602 HB3 MET 74 HB3 MET 74 41.848 49.934 32.489 603 HG2 MET 74 HG2 MET 74 40.002 48.743 32.100 604 HG3 MET 74 HG3 MET 74 39.379 50.203 31.360 605 HE1 MET 74 HE1 MET 74 37.990 46.940 29.571 606 HE2 MET 74 HE2 MET 74 39.340 46.278 30.483 607 HE3 MET 74 HE3 MET 74 38.283 47.499 31.239 608 H ASN 75 H ASN 75 39.523 52.319 30.302 609 HA ASN 75 HA ASN 75 39.950 51.958 27.362 610 HB2 ASN 75 HB2 ASN 75 38.316 50.475 28.336 611 HB3 ASN 75 HB3 ASN 75 37.451 51.822 29.075 612 HD21 ASN 75 HD22 ASN 75 36.045 53.040 27.784 613 HD22 ASN 75 HD21 ASN 75 35.802 52.841 26.074 614 H LEU 76 H LEU 76 38.958 54.263 29.889 615 HA LEU 76 HA LEU 76 38.008 56.228 28.099 616 HB2 LEU 76 HB2 LEU 76 37.677 55.825 30.670 617 HB3 LEU 76 HB3 LEU 76 39.098 56.821 30.872 618 HG LEU 76 HG LEU 76 36.337 57.457 29.785 619 HD11 LEU 76 HD11 LEU 76 37.881 58.753 32.073 620 HD12 LEU 76 HD12 LEU 76 36.161 58.909 31.699 621 HD13 LEU 76 HD13 LEU 76 36.825 57.331 32.234 622 HD21 LEU 76 HD21 LEU 76 37.666 58.905 28.394 623 HD22 LEU 76 HD22 LEU 76 36.857 59.864 29.621 624 HD23 LEU 76 HD23 LEU 76 38.569 59.529 29.835 625 H LEU 77 H LEU 77 41.200 55.765 29.659 626 HA LEU 77 HA LEU 77 42.369 58.058 28.170 627 HB2 LEU 77 HB2 LEU 77 43.377 57.038 30.853 628 HB3 LEU 77 HB3 LEU 77 44.013 58.356 29.899 629 HG LEU 77 HG LEU 77 42.944 59.474 31.531 630 HD11 LEU 77 HD11 LEU 77 40.834 59.340 29.343 631 HD12 LEU 77 HD12 LEU 77 40.859 60.487 30.692 632 HD13 LEU 77 HD13 LEU 77 42.205 60.445 29.529 633 HD21 LEU 77 HD21 LEU 77 40.552 58.775 32.289 634 HD22 LEU 77 HD22 LEU 77 41.084 57.187 31.625 635 HD23 LEU 77 HD23 LEU 77 42.050 58.036 32.863 636 H ASN 78 H ASN 78 43.857 55.272 29.853 637 HA ASN 78 HA ASN 78 45.919 54.285 29.097 638 HB2 ASN 78 HB2 ASN 78 43.987 52.858 29.607 639 HB3 ASN 78 HB3 ASN 78 43.668 52.747 27.825 640 HD21 ASN 78 HD22 ASN 78 45.991 52.152 26.736 641 HD22 ASN 78 HD21 ASN 78 46.535 50.636 27.411 642 H GLY 79 H GLY 79 46.858 55.982 27.693 643 HA2 GLY 79 HA2 GLY 79 47.994 55.359 25.406 644 HA3 GLY 79 HA3 GLY 79 46.349 55.519 24.779 645 H ILE 80 H ILE 80 47.386 57.805 27.213 646 HA ILE 80 HA ILE 80 47.333 59.981 25.175 647 HB ILE 80 HB ILE 80 45.590 61.122 26.338 648 HG12 ILE 80 HG12 ILE 80 44.344 59.238 28.036 649 HG13 ILE 80 HG13 ILE 80 46.061 59.190 28.471 650 HG21 ILE 80 HG21 ILE 80 44.452 58.333 26.075 651 HG22 ILE 80 HG22 ILE 80 43.698 59.913 25.735 652 HG23 ILE 80 HG23 ILE 80 44.908 59.228 24.622 653 HD11 ILE 80 HD11 ILE 80 44.595 61.821 28.049 654 HD12 ILE 80 HD12 ILE 80 44.420 60.949 29.566 655 HD13 ILE 80 HD13 ILE 80 46.051 61.491 29.022 656 H LYS 81 H LYS 81 47.987 61.974 25.796 657 HA LYS 81 HA LYS 81 49.510 62.349 28.191 658 HB2 LYS 81 HB2 LYS 81 51.744 62.315 26.754 659 HB3 LYS 81 HB3 LYS 81 51.116 60.920 27.592 660 HG2 LYS 81 HG2 LYS 81 51.939 60.208 25.512 661 HG3 LYS 81 HG3 LYS 81 50.177 60.039 25.454 662 HD2 LYS 81 HD2 LYS 81 50.088 62.113 24.064 663 HD3 LYS 81 HD3 LYS 81 51.842 62.269 24.294 664 HE2 LYS 81 HE2 LYS 81 52.164 60.047 23.135 665 HE3 LYS 81 HE3 LYS 81 50.421 59.878 22.949 666 HZ1 LYS 81 HZ1 LYS 81 51.804 60.849 20.975 667 HZ2 LYS 81 HZ2 LYS 81 50.352 61.570 21.375 668 HZ3 LYS 81 HZ3 LYS 81 51.742 62.196 21.793 669 H LEU 82 H LEU 82 51.030 64.012 28.003 670 HA LEU 82 HA LEU 82 50.373 66.237 26.106 671 HB2 LEU 82 HB2 LEU 82 50.366 66.274 29.160 672 HB3 LEU 82 HB3 LEU 82 50.425 67.751 28.202 673 HG LEU 82 HG LEU 82 48.093 65.761 28.244 674 HD11 LEU 82 HD11 LEU 82 47.990 66.795 30.320 675 HD12 LEU 82 HD12 LEU 82 48.410 68.420 29.705 676 HD13 LEU 82 HD13 LEU 82 46.858 67.693 29.318 677 HD21 LEU 82 HD21 LEU 82 48.202 66.989 26.081 678 HD22 LEU 82 HD22 LEU 82 46.851 67.546 27.046 679 HD23 LEU 82 HD23 LEU 82 48.354 68.517 26.980 680 H TYR 83 H TYR 83 52.836 64.630 27.845 681 HA TYR 83 HA TYR 83 54.874 66.704 27.149 682 HB2 TYR 83 HB2 TYR 83 54.564 64.597 29.260 683 HB3 TYR 83 HB3 TYR 83 56.145 65.067 28.898 684 HD1 TYR 83 HD1 TYR 83 56.290 68.080 29.183 685 HD2 TYR 83 HD2 TYR 83 53.345 65.363 30.822 686 HE1 TYR 83 HE1 TYR 83 55.801 69.667 31.004 687 HE2 TYR 83 HE2 TYR 83 52.800 67.005 32.573 688 HH TYR 83 HH TYR 83 54.372 70.202 32.667 689 H GLY 84 H GLY 84 54.157 63.187 27.112 690 HA2 GLY 84 HA2 GLY 84 55.096 62.741 24.502 691 HA3 GLY 84 HA3 GLY 84 56.454 62.447 25.581 692 H ARG 85 H ARG 85 54.940 61.191 27.769 693 HA ARG 85 HA ARG 85 54.888 58.456 26.628 694 HB2 ARG 85 HB2 ARG 85 55.261 59.186 29.556 695 HB3 ARG 85 HB3 ARG 85 55.269 57.630 28.793 696 HG2 ARG 85 HG2 ARG 85 57.537 58.094 29.002 697 HG3 ARG 85 HG3 ARG 85 57.197 58.430 27.317 698 HD2 ARG 85 HD2 ARG 85 56.963 60.944 28.192 699 HD3 ARG 85 HD3 ARG 85 57.722 60.325 29.643 700 HE ARG 85 HE ARG 85 59.037 60.901 27.114 701 HH11 ARG 85 HH11 ARG 85 59.195 58.542 29.775 702 HH12 ARG 85 HH12 ARG 85 60.934 58.652 29.809 703 HH21 ARG 85 HH21 ARG 85 61.284 60.963 27.340 704 HH22 ARG 85 HH22 ARG 85 62.085 59.738 28.243 705 HA PRO 86 HA PRO 86 50.373 58.744 27.159 706 HB2 PRO 86 HB2 PRO 86 49.781 56.245 26.190 707 HB3 PRO 86 HB3 PRO 86 50.088 57.663 25.129 708 HG2 PRO 86 HG2 PRO 86 51.970 55.486 26.029 709 HG3 PRO 86 HG3 PRO 86 51.781 56.130 24.351 710 HD2 PRO 86 HD2 PRO 86 53.836 56.977 25.884 711 HD3 PRO 86 HD3 PRO 86 52.930 58.108 24.881 712 H ILE 87 H ILE 87 49.377 58.485 29.012 713 HA ILE 87 HA ILE 87 50.183 56.897 31.204 714 HB ILE 87 HB ILE 87 47.828 58.563 30.442 715 HG12 ILE 87 HG12 ILE 87 49.896 59.336 31.601 716 HG13 ILE 87 HG13 ILE 87 48.385 59.817 32.321 717 HG21 ILE 87 HG21 ILE 87 47.517 56.524 32.676 718 HG22 ILE 87 HG22 ILE 87 46.448 57.923 32.378 719 HG23 ILE 87 HG23 ILE 87 46.585 56.630 31.180 720 HD11 ILE 87 HD11 ILE 87 49.932 57.413 33.351 721 HD12 ILE 87 HD12 ILE 87 50.099 59.075 33.986 722 HD13 ILE 87 HD13 ILE 87 48.538 58.239 34.089 723 H LYS 88 H LYS 88 49.904 54.823 31.821 724 HA LYS 88 HA LYS 88 48.101 53.082 30.231 725 HB2 LYS 88 HB2 LYS 88 50.585 52.886 29.831 726 HB3 LYS 88 HB3 LYS 88 50.808 52.467 31.517 727 HG2 LYS 88 HG2 LYS 88 50.814 50.493 29.996 728 HG3 LYS 88 HG3 LYS 88 49.669 50.405 31.336 729 HD2 LYS 88 HD2 LYS 88 47.822 50.996 29.841 730 HD3 LYS 88 HD3 LYS 88 48.943 51.244 28.502 731 HE2 LYS 88 HE2 LYS 88 48.896 48.564 29.946 732 HE3 LYS 88 HE3 LYS 88 47.624 48.930 28.805 733 HZ1 LYS 88 HZ1 LYS 88 49.175 49.259 27.086 734 HZ2 LYS 88 HZ2 LYS 88 50.481 48.931 28.051 735 HZ3 LYS 88 HZ3 LYS 88 49.350 47.799 27.718 736 H ILE 89 H ILE 89 46.385 52.486 31.501 737 HA ILE 89 HA ILE 89 46.750 52.293 34.440 738 HB ILE 89 HB ILE 89 44.226 52.111 32.760 739 HG12 ILE 89 HG12 ILE 89 43.805 54.359 34.088 740 HG13 ILE 89 HG13 ILE 89 45.552 54.442 34.220 741 HG21 ILE 89 HG21 ILE 89 44.589 52.572 35.732 742 HG22 ILE 89 HG22 ILE 89 43.051 52.460 34.840 743 HG23 ILE 89 HG23 ILE 89 44.066 51.020 35.024 744 HD11 ILE 89 HD11 ILE 89 44.053 54.123 31.581 745 HD12 ILE 89 HD12 ILE 89 44.318 55.686 32.339 746 HD13 ILE 89 HD13 ILE 89 45.731 54.702 31.817 747 H GLN 90 H GLN 90 46.633 50.352 35.587 748 HA GLN 90 HA GLN 90 46.168 47.948 33.911 749 HB2 GLN 90 HB2 GLN 90 48.274 47.924 36.112 750 HB3 GLN 90 HB3 GLN 90 47.816 46.646 34.994 751 HG2 GLN 90 HG2 GLN 90 48.355 48.308 33.121 752 HG3 GLN 90 HG3 GLN 90 49.255 49.201 34.370 753 HE21 GLN 90 HE22 GLN 90 49.818 47.182 31.902 754 HE22 GLN 90 HE21 GLN 90 51.277 46.437 32.542 755 H PHE 91 H PHE 91 45.306 46.278 34.455 756 HA PHE 91 HA PHE 91 44.393 45.826 37.233 757 HB2 PHE 91 HB2 PHE 91 42.357 44.710 36.289 758 HB3 PHE 91 HB3 PHE 91 42.404 46.448 36.039 759 HD1 PHE 91 HD1 PHE 91 42.995 47.372 33.745 760 HD2 PHE 91 HD2 PHE 91 42.282 43.201 34.513 761 HE1 PHE 91 HE1 PHE 91 42.510 47.032 31.354 762 HE2 PHE 91 HE2 PHE 91 41.972 42.803 32.084 763 HZ PHE 91 HZ PHE 91 42.020 44.721 30.497 764 H ARG 92 H ARG 92 45.035 43.852 38.016 765 HA ARG 92 HA ARG 92 45.943 41.671 36.160 766 HB2 ARG 92 HB2 ARG 92 47.573 42.521 37.758 767 HB3 ARG 92 HB3 ARG 92 46.600 41.952 39.108 768 HG2 ARG 92 HG2 ARG 92 47.557 40.057 36.911 769 HG3 ARG 92 HG3 ARG 92 48.587 40.505 38.245 770 HD2 ARG 92 HD2 ARG 92 47.179 39.572 39.907 771 HD3 ARG 92 HD3 ARG 92 45.821 39.360 38.834 772 HE ARG 92 HE ARG 92 48.216 37.597 39.047 773 HH11 ARG 92 HH11 ARG 92 45.201 38.250 37.276 774 HH12 ARG 92 HH12 ARG 92 45.018 36.583 36.853 775 HH21 ARG 92 HH21 ARG 92 47.975 35.596 38.430 776 HH22 ARG 92 HH22 ARG 92 46.704 35.135 37.352 777 H SER 93 H SER 93 43.624 42.544 38.638 778 HA SER 93 HA SER 93 41.746 41.628 39.440 779 HB2 SER 93 HB2 SER 93 41.458 40.362 36.695 780 HB3 SER 93 HB3 SER 93 40.173 40.858 37.852 781 HG SER 93 HG SER 93 40.930 42.939 37.548 782 H GLY 94 H GLY 94 43.895 40.090 40.331 783 HA2 GLY 94 HA2 GLY 94 42.717 37.428 40.612 784 HA3 GLY 94 HA3 GLY 94 44.184 37.484 39.612 785 H SER 95 H SER 95 42.818 38.375 42.722 786 HA SER 95 HA SER 95 45.262 37.521 44.219 787 HB2 SER 95 HB2 SER 95 43.924 40.218 44.546 788 HB3 SER 95 HB3 SER 95 45.190 39.536 45.586 789 HG SER 95 HG SER 95 46.630 39.885 44.045 790 H SER 96 H SER 96 41.759 38.153 44.232 791 HA SER 96 HA SER 96 41.409 37.024 46.964 792 HB2 SER 96 HB2 SER 96 39.101 37.802 46.641 793 HB3 SER 96 HB3 SER 96 40.350 39.074 46.553 794 HG SER 96 HG SER 96 38.539 38.731 44.880 795 H HIS 97 H HIS 97 39.167 35.739 47.023 796 HA HIS 97 HA HIS 97 39.523 33.331 45.298 797 HB2 HIS 97 HB2 HIS 97 39.026 33.555 48.293 798 HB3 HIS 97 HB3 HIS 97 39.309 32.074 47.378 799 HD2 HIS 97 HD2 HIS 97 41.736 32.534 45.710 800 HE1 HIS 97 HE1 HIS 97 43.707 34.625 48.841 801 HE2 HIS 97 HE2 HIS 97 44.036 33.449 46.627 802 H ALA 98 H ALA 98 37.094 35.380 46.876 803 HA ALA 98 HA ALA 98 34.961 33.447 46.135 804 HB1 ALA 98 HB1 ALA 98 35.649 33.017 48.441 805 HB2 ALA 98 HB2 ALA 98 35.366 34.729 48.861 806 HB3 ALA 98 HB3 ALA 98 34.009 33.690 48.414 807 HA PRO 99 HA PRO 99 32.778 37.221 45.116 808 HB2 PRO 99 HB2 PRO 99 30.195 36.394 45.108 809 HB3 PRO 99 HB3 PRO 99 31.431 35.930 43.893 810 HG2 PRO 99 HG2 PRO 99 30.426 34.270 46.207 811 HG3 PRO 99 HG3 PRO 99 30.800 33.784 44.513 812 HD2 PRO 99 HD2 PRO 99 32.567 33.466 46.624 813 HD3 PRO 99 HD3 PRO 99 32.987 33.582 44.885 814 H GLN 100 H GLN 100 31.867 38.902 46.164 815 HA GLN 100 HA GLN 100 32.518 38.947 48.969 816 HB2 GLN 100 HB2 GLN 100 32.052 41.176 46.946 817 HB3 GLN 100 HB3 GLN 100 32.583 41.425 48.611 818 HG2 GLN 100 HG2 GLN 100 34.563 39.990 48.205 819 HG3 GLN 100 HG3 GLN 100 34.002 39.710 46.551 820 HE21 GLN 100 HE22 GLN 100 36.127 40.385 46.048 821 HE22 GLN 100 HE21 GLN 100 36.511 42.101 45.862 822 H ASP 101 H ASP 101 29.400 38.981 47.378 823 HA ASP 101 HA ASP 101 28.028 39.938 49.807 824 HB2 ASP 101 HB2 ASP 101 28.594 42.020 48.457 825 HB3 ASP 101 HB3 ASP 101 27.683 41.340 47.116 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 52.519 52.180 22.650 2 H2 GLY 1 H2 GLY 1 52.471 52.411 21.036 3 H3 GLY 1 H3 GLY 1 53.712 51.582 21.660 4 HA2 GLY 1 HA2 GLY 1 50.940 50.794 21.308 5 HA3 GLY 1 HA3 GLY 1 52.383 49.947 20.741 6 H SER 2 H SER 2 52.768 48.103 21.913 7 HA SER 2 HA SER 2 52.203 48.075 24.851 8 HB2 SER 2 HB2 SER 2 51.310 45.931 22.911 9 HB3 SER 2 HB3 SER 2 50.789 46.181 24.593 10 HG SER 2 HG SER 2 49.309 46.863 23.050 11 H GLU 3 H GLU 3 53.932 47.395 25.922 12 HA GLU 3 HA GLU 3 56.188 46.121 24.779 13 HB2 GLU 3 HB2 GLU 3 55.284 46.377 27.675 14 HB3 GLU 3 HB3 GLU 3 56.799 45.606 27.191 15 HG2 GLU 3 HG2 GLU 3 57.302 47.781 25.888 16 HG3 GLU 3 HG3 GLU 3 56.006 48.517 26.799 17 H PHE 4 H PHE 4 57.032 44.063 24.885 18 HA PHE 4 HA PHE 4 55.012 42.308 24.003 19 HB2 PHE 4 HB2 PHE 4 56.901 40.712 23.570 20 HB3 PHE 4 HB3 PHE 4 56.874 42.244 22.732 21 HD1 PHE 4 HD2 PHE 4 58.706 40.200 25.181 22 HD2 PHE 4 HD1 PHE 4 58.594 43.914 23.032 23 HE1 PHE 4 HE2 PHE 4 61.110 40.673 25.827 24 HE2 PHE 4 HE1 PHE 4 61.037 44.190 23.381 25 HZ PHE 4 HZ PHE 4 62.280 42.570 24.804 26 H GLU 5 H GLU 5 57.016 41.973 26.931 27 HA GLU 5 HA GLU 5 55.306 39.708 27.899 28 HB2 GLU 5 HB2 GLU 5 58.289 39.966 27.796 29 HB3 GLU 5 HB3 GLU 5 57.514 38.819 28.878 30 HG2 GLU 5 HG2 GLU 5 56.865 38.848 25.912 31 HG3 GLU 5 HG3 GLU 5 58.329 38.058 26.529 32 H LEU 6 H LEU 6 54.555 42.081 28.731 33 HA LEU 6 HA LEU 6 55.768 42.599 31.394 34 HB2 LEU 6 HB2 LEU 6 53.627 43.852 29.729 35 HB3 LEU 6 HB3 LEU 6 53.502 43.999 31.477 36 HG LEU 6 HG LEU 6 55.983 44.913 29.928 37 HD11 LEU 6 HD11 LEU 6 53.817 46.643 31.149 38 HD12 LEU 6 HD12 LEU 6 55.233 47.123 30.191 39 HD13 LEU 6 HD13 LEU 6 53.914 46.228 29.419 40 HD21 LEU 6 HD21 LEU 6 55.098 45.091 32.853 41 HD22 LEU 6 HD22 LEU 6 56.635 44.462 32.207 42 HD23 LEU 6 HD23 LEU 6 56.302 46.185 32.163 43 H ARG 7 H ARG 7 54.767 42.145 33.331 44 HA ARG 7 HA ARG 7 53.429 39.600 33.595 45 HB2 ARG 7 HB2 ARG 7 53.656 39.756 35.707 46 HB3 ARG 7 HB3 ARG 7 55.057 40.629 35.069 47 HG2 ARG 7 HG2 ARG 7 52.548 41.909 36.118 48 HG3 ARG 7 HG3 ARG 7 54.030 41.460 37.063 49 HD2 ARG 7 HD2 ARG 7 54.014 43.312 34.646 50 HD3 ARG 7 HD3 ARG 7 53.834 43.931 36.304 51 HE ARG 7 HE ARG 7 56.218 42.255 36.020 52 HH11 ARG 7 HH11 ARG 7 54.945 45.551 35.581 53 HH12 ARG 7 HH12 ARG 7 56.534 46.191 35.723 54 HH21 ARG 7 HH21 ARG 7 58.179 43.175 35.621 55 HH22 ARG 7 HH22 ARG 7 58.210 44.931 35.395 56 H ARG 8 H ARG 8 51.295 39.174 33.756 57 HA ARG 8 HA ARG 8 49.325 41.202 34.508 58 HB2 ARG 8 HB2 ARG 8 47.865 40.889 32.570 59 HB3 ARG 8 HB3 ARG 8 49.358 41.748 32.224 60 HG2 ARG 8 HG2 ARG 8 50.352 39.814 31.176 61 HG3 ARG 8 HG3 ARG 8 48.963 38.788 31.599 62 HD2 ARG 8 HD2 ARG 8 47.483 40.223 30.269 63 HD3 ARG 8 HD3 ARG 8 48.843 41.295 29.884 64 HE ARG 8 HE ARG 8 49.725 38.782 29.126 65 HH11 ARG 8 HH11 ARG 8 47.229 40.985 28.231 66 HH12 ARG 8 HH12 ARG 8 46.956 40.295 26.636 67 HH21 ARG 8 HH21 ARG 8 49.440 37.974 26.990 68 HH22 ARG 8 HH22 ARG 8 48.207 38.684 25.982 69 H GLN 9 H GLN 9 49.975 37.777 33.858 70 HA GLN 9 HA GLN 9 47.583 36.919 35.404 71 HB2 GLN 9 HB2 GLN 9 48.169 36.310 32.497 72 HB3 GLN 9 HB3 GLN 9 47.234 35.224 33.496 73 HG2 GLN 9 HG2 GLN 9 45.775 37.402 34.061 74 HG3 GLN 9 HG3 GLN 9 46.522 38.051 32.608 75 HE21 GLN 9 HE22 GLN 9 44.043 38.139 32.304 76 HE22 GLN 9 HE21 GLN 9 43.422 36.749 31.412 77 H GLN 10 H GLN 10 50.513 35.930 33.640 78 HA GLN 10 HA GLN 10 50.522 33.163 34.293 79 HB2 GLN 10 HB2 GLN 10 52.859 35.003 33.645 80 HB3 GLN 10 HB3 GLN 10 52.928 33.251 33.664 81 HG2 GLN 10 HG2 GLN 10 51.009 33.305 31.897 82 HG3 GLN 10 HG3 GLN 10 51.413 35.028 31.732 83 HE21 GLN 10 HE22 GLN 10 53.920 35.407 31.333 84 HE22 GLN 10 HE21 GLN 10 54.570 34.268 30.171 85 H ALA 11 H ALA 11 50.798 35.525 36.467 86 HA ALA 11 HA ALA 11 51.980 33.846 38.532 87 HB1 ALA 11 HB1 ALA 11 53.340 36.528 38.045 88 HB2 ALA 11 HB2 ALA 11 53.860 35.236 39.128 89 HB3 ALA 11 HB3 ALA 11 53.979 34.994 37.378 90 H LEU 12 H LEU 12 51.689 34.630 40.633 91 HA LEU 12 HA LEU 12 49.082 35.792 40.750 92 HB2 LEU 12 HB2 LEU 12 48.939 34.896 42.904 93 HB3 LEU 12 HB3 LEU 12 49.889 33.807 41.918 94 HG LEU 12 HG LEU 12 51.952 35.019 42.906 95 HD11 LEU 12 HD11 LEU 12 51.594 35.478 45.417 96 HD12 LEU 12 HD12 LEU 12 50.958 36.747 44.368 97 HD13 LEU 12 HD13 LEU 12 49.862 35.562 45.101 98 HD21 LEU 12 HD21 LEU 12 51.168 32.616 43.172 99 HD22 LEU 12 HD22 LEU 12 52.130 33.225 44.519 100 HD23 LEU 12 HD23 LEU 12 50.358 33.106 44.668 101 H ALA 13 H ALA 13 48.389 37.663 41.284 102 HA ALA 13 HA ALA 13 49.670 39.290 43.256 103 HB1 ALA 13 HB1 ALA 13 50.735 40.050 41.019 104 HB2 ALA 13 HB2 ALA 13 49.130 40.647 40.565 105 HB3 ALA 13 HB3 ALA 13 49.933 41.296 42.006 106 H GLU 14 H GLU 14 48.174 40.783 44.183 107 HA GLU 14 HA GLU 14 45.582 41.186 42.799 108 HB2 GLU 14 HB2 GLU 14 45.786 41.113 45.831 109 HB3 GLU 14 HB3 GLU 14 44.360 41.355 44.836 110 HG2 GLU 14 HG2 GLU 14 44.738 39.040 43.865 111 HG3 GLU 14 HG3 GLU 14 45.923 38.783 45.152 112 H ALA 15 H ALA 15 44.471 43.188 43.619 113 HA ALA 15 HA ALA 15 46.222 45.502 43.661 114 HB1 ALA 15 HB1 ALA 15 43.294 45.484 44.362 115 HB2 ALA 15 HB2 ALA 15 44.265 46.735 43.528 116 HB3 ALA 15 HB3 ALA 15 43.826 45.240 42.683 117 H ASP 16 H ASP 16 46.035 47.253 45.343 118 HA ASP 16 HA ASP 16 45.715 46.212 48.094 119 HB2 ASP 16 HB2 ASP 16 47.735 47.143 48.872 120 HB3 ASP 16 HB3 ASP 16 48.089 46.185 47.444 121 H ARG 17 H ARG 17 43.668 47.134 47.358 122 HA ARG 17 HA ARG 17 41.990 48.572 47.409 123 HB2 ARG 17 HB2 ARG 17 43.452 49.606 49.863 124 HB3 ARG 17 HB3 ARG 17 41.773 49.975 49.458 125 HG2 ARG 17 HG2 ARG 17 41.158 47.616 49.586 126 HG3 ARG 17 HG3 ARG 17 42.823 47.139 49.809 127 HD2 ARG 17 HD2 ARG 17 42.332 47.172 52.044 128 HD3 ARG 17 HD3 ARG 17 42.594 48.890 51.921 129 HE ARG 17 HE ARG 17 40.341 49.259 52.318 130 HH11 ARG 17 HH11 ARG 17 40.803 46.025 51.196 131 HH12 ARG 17 HH12 ARG 17 39.254 45.464 51.855 132 HH21 ARG 17 HH21 ARG 17 38.221 48.575 52.832 133 HH22 ARG 17 HH22 ARG 17 37.815 46.896 52.637 134 H THR 18 H THR 18 44.513 49.470 45.996 135 HA THR 18 HA THR 18 43.664 52.205 45.205 136 HB THR 18 HB THR 18 46.587 51.387 45.303 137 HG1 THR 18 HG1 THR 18 45.786 51.162 47.351 138 HG21 THR 18 HG21 THR 18 45.172 54.087 45.587 139 HG22 THR 18 HG22 THR 18 46.926 53.824 45.555 140 HG23 THR 18 HG23 THR 18 45.945 53.487 44.105 141 H LEU 19 H LEU 19 44.207 52.709 42.933 142 HA LEU 19 HA LEU 19 44.199 50.505 40.988 143 HB2 LEU 19 HB2 LEU 19 42.592 52.436 40.899 144 HB3 LEU 19 HB3 LEU 19 43.949 53.534 40.766 145 HG LEU 19 HG LEU 19 44.667 52.508 38.634 146 HD11 LEU 19 HD11 LEU 19 42.187 50.831 39.069 147 HD12 LEU 19 HD12 LEU 19 42.722 51.232 37.419 148 HD13 LEU 19 HD13 LEU 19 43.800 50.352 38.507 149 HD21 LEU 19 HD21 LEU 19 43.326 54.562 38.817 150 HD22 LEU 19 HD22 LEU 19 43.166 53.714 37.288 151 HD23 LEU 19 HD23 LEU 19 41.853 53.607 38.493 152 H PHE 20 H PHE 20 46.147 49.861 39.963 153 HA PHE 20 HA PHE 20 48.537 51.489 40.251 154 HB2 PHE 20 HB2 PHE 20 48.396 48.888 40.149 155 HB3 PHE 20 HB3 PHE 20 48.449 49.096 38.400 156 HD1 PHE 20 HD1 PHE 20 50.344 50.632 37.410 157 HD2 PHE 20 HD2 PHE 20 50.398 48.819 41.316 158 HE1 PHE 20 HE1 PHE 20 52.730 51.143 37.591 159 HE2 PHE 20 HE2 PHE 20 52.832 49.300 41.493 160 HZ PHE 20 HZ PHE 20 54.014 50.429 39.613 161 H VAL 21 H VAL 21 49.648 52.706 38.728 162 HA VAL 21 HA VAL 21 48.544 52.923 35.999 163 HB VAL 21 HB VAL 21 48.981 55.479 37.609 164 HG11 VAL 21 HG11 VAL 21 47.607 54.730 34.996 165 HG12 VAL 21 HG12 VAL 21 47.800 56.385 35.626 166 HG13 VAL 21 HG13 VAL 21 49.223 55.466 35.103 167 HG21 VAL 21 HG21 VAL 21 47.044 54.425 38.633 168 HG22 VAL 21 HG22 VAL 21 46.438 55.625 37.483 169 HG23 VAL 21 HG23 VAL 21 46.446 53.891 37.054 170 H GLY 22 H GLY 22 50.195 52.613 34.659 171 HA2 GLY 22 HA2 GLY 22 52.846 53.768 35.408 172 HA3 GLY 22 HA3 GLY 22 52.716 52.235 34.599 173 H ASN 23 H ASN 23 54.205 53.596 33.266 174 HA ASN 23 HA ASN 23 54.738 54.568 31.289 175 HB2 ASN 23 HB2 ASN 23 52.582 53.071 30.730 176 HB3 ASN 23 HB3 ASN 23 51.896 54.646 30.397 177 HD21 ASN 23 HD21 ASN 23 51.688 54.305 28.358 178 HD22 ASN 23 HD22 ASN 23 52.981 54.283 27.142 179 H LEU 24 H LEU 24 54.245 56.075 33.587 180 HA LEU 24 HA LEU 24 52.918 58.578 33.151 181 HB2 LEU 24 HB2 LEU 24 55.070 57.524 35.009 182 HB3 LEU 24 HB3 LEU 24 54.562 59.195 35.068 183 HG LEU 24 HG LEU 24 53.575 57.585 36.779 184 HD11 LEU 24 HD11 LEU 24 51.764 59.315 35.074 185 HD12 LEU 24 HD12 LEU 24 51.293 58.593 36.640 186 HD13 LEU 24 HD13 LEU 24 52.601 59.770 36.586 187 HD21 LEU 24 HD21 LEU 24 52.940 55.781 35.194 188 HD22 LEU 24 HD22 LEU 24 51.574 56.374 36.196 189 HD23 LEU 24 HD23 LEU 24 51.703 56.832 34.490 190 H GLU 25 H GLU 25 53.965 60.621 33.104 191 HA GLU 25 HA GLU 25 56.332 60.651 31.381 192 HB2 GLU 25 HB2 GLU 25 54.005 62.317 31.713 193 HB3 GLU 25 HB3 GLU 25 55.400 63.332 32.012 194 HG2 GLU 25 HG2 GLU 25 55.450 61.446 29.647 195 HG3 GLU 25 HG3 GLU 25 54.459 62.864 29.525 196 H THR 26 H THR 26 57.931 62.335 31.596 197 HA THR 26 HA THR 26 59.423 61.707 34.028 198 HB THR 26 HB THR 26 61.301 62.547 32.905 199 HG1 THR 26 HG1 THR 26 59.594 63.756 30.957 200 HG21 THR 26 HG21 THR 26 59.613 61.467 30.631 201 HG22 THR 26 HG22 THR 26 61.393 61.454 30.804 202 HG23 THR 26 HG23 THR 26 60.387 60.468 31.878 203 H LYS 27 H LYS 27 57.565 64.296 32.717 204 HA LYS 27 HA LYS 27 58.158 66.009 35.059 205 HB2 LYS 27 HB2 LYS 27 56.843 66.729 32.404 206 HB3 LYS 27 HB3 LYS 27 57.077 67.821 33.789 207 HG2 LYS 27 HG2 LYS 27 59.271 66.480 32.192 208 HG3 LYS 27 HG3 LYS 27 58.773 68.163 32.089 209 HD2 LYS 27 HD2 LYS 27 60.086 66.730 34.422 210 HD3 LYS 27 HD3 LYS 27 60.762 68.023 33.431 211 HE2 LYS 27 HE2 LYS 27 59.122 69.634 34.474 212 HE3 LYS 27 HE3 LYS 27 58.407 68.314 35.373 213 HZ1 LYS 27 HZ1 LYS 27 60.026 69.421 36.776 214 HZ2 LYS 27 HZ2 LYS 27 60.648 67.989 36.399 215 HZ3 LYS 27 HZ3 LYS 27 61.187 69.288 35.634 216 H VAL 28 H VAL 28 56.271 63.499 34.897 217 HA VAL 28 HA VAL 28 53.689 64.558 35.275 218 HB VAL 28 HB VAL 28 54.203 62.175 34.718 219 HG11 VAL 28 HG11 VAL 28 55.892 61.728 36.455 220 HG12 VAL 28 HG12 VAL 28 54.702 61.938 37.729 221 HG13 VAL 28 HG13 VAL 28 54.561 60.565 36.613 222 HG21 VAL 28 HG21 VAL 28 51.997 63.316 35.680 223 HG22 VAL 28 HG22 VAL 28 52.105 61.596 35.321 224 HG23 VAL 28 HG23 VAL 28 52.235 62.195 37.002 225 H THR 29 H THR 29 52.340 64.574 37.127 226 HA THR 29 HA THR 29 53.381 64.618 39.843 227 HB THR 29 HB THR 29 52.361 66.912 40.262 228 HG1 THR 29 HG1 THR 29 52.203 68.153 38.432 229 HG21 THR 29 HG21 THR 29 54.333 68.070 39.965 230 HG22 THR 29 HG22 THR 29 54.881 66.396 39.988 231 HG23 THR 29 HG23 THR 29 54.727 67.247 38.431 232 H GLU 30 H GLU 30 51.684 65.041 41.412 233 HA GLU 30 HA GLU 30 49.407 63.482 40.849 234 HB2 GLU 30 HB2 GLU 30 49.726 65.431 43.180 235 HB3 GLU 30 HB3 GLU 30 48.702 63.978 43.122 236 HG2 GLU 30 HG2 GLU 30 50.798 62.619 42.952 237 HG3 GLU 30 HG3 GLU 30 51.720 64.100 43.254 238 H GLU 31 H GLU 31 49.950 66.915 40.588 239 HA GLU 31 HA GLU 31 47.181 67.767 40.403 240 HB2 GLU 31 HB2 GLU 31 49.820 68.903 39.473 241 HB3 GLU 31 HB3 GLU 31 48.257 69.680 39.111 242 HG2 GLU 31 HG2 GLU 31 47.710 69.570 41.568 243 HG3 GLU 31 HG3 GLU 31 49.358 69.126 41.899 244 H LEU 32 H LEU 32 49.556 66.671 37.914 245 HA LEU 32 HA LEU 32 47.763 67.080 35.714 246 HB2 LEU 32 HB2 LEU 32 50.120 66.938 35.211 247 HB3 LEU 32 HB3 LEU 32 50.301 65.416 36.066 248 HG LEU 32 HG LEU 32 49.057 64.214 34.327 249 HD11 LEU 32 HD11 LEU 32 48.282 65.311 32.279 250 HD12 LEU 32 HD12 LEU 32 47.517 66.110 33.652 251 HD13 LEU 32 HD13 LEU 32 48.895 66.878 32.834 252 HD21 LEU 32 HD21 LEU 32 50.564 64.597 32.366 253 HD22 LEU 32 HD22 LEU 32 51.231 65.997 33.224 254 HD23 LEU 32 HD23 LEU 32 51.403 64.342 33.894 255 H LEU 33 H LEU 33 48.570 64.301 37.774 256 HA LEU 33 HA LEU 33 46.857 62.367 36.486 257 HB2 LEU 33 HB2 LEU 33 47.832 62.594 39.317 258 HB3 LEU 33 HB3 LEU 33 47.063 61.153 38.590 259 HG LEU 33 HG LEU 33 49.780 62.382 37.930 260 HD11 LEU 33 HD11 LEU 33 48.973 59.825 39.269 261 HD12 LEU 33 HD12 LEU 33 50.570 60.063 38.479 262 HD13 LEU 33 HD13 LEU 33 50.086 61.108 39.819 263 HD21 LEU 33 HD21 LEU 33 48.640 61.523 35.829 264 HD22 LEU 33 HD22 LEU 33 50.196 60.837 36.213 265 HD23 LEU 33 HD23 LEU 33 48.742 59.889 36.545 266 H PHE 34 H PHE 34 46.115 64.725 39.099 267 HA PHE 34 HA PHE 34 43.499 63.597 39.502 268 HB2 PHE 34 HB2 PHE 34 44.800 64.994 41.103 269 HB3 PHE 34 HB3 PHE 34 44.431 66.424 40.147 270 HD1 PHE 34 HD1 PHE 34 41.944 67.117 39.939 271 HD2 PHE 34 HD2 PHE 34 43.305 64.000 42.597 272 HE1 PHE 34 HE1 PHE 34 39.720 67.078 41.056 273 HE2 PHE 34 HE2 PHE 34 41.161 64.094 43.805 274 HZ PHE 34 HZ PHE 34 39.323 65.545 42.976 275 H GLU 35 H GLU 35 44.593 66.328 37.432 276 HA GLU 35 HA GLU 35 41.911 66.836 36.479 277 HB2 GLU 35 HB2 GLU 35 42.936 68.298 34.852 278 HB3 GLU 35 HB3 GLU 35 43.712 68.543 36.416 279 HG2 GLU 35 HG2 GLU 35 45.645 67.188 35.683 280 HG3 GLU 35 HG3 GLU 35 44.876 66.930 34.114 281 H LEU 36 H LEU 36 44.273 64.441 35.590 282 HA LEU 36 HA LEU 36 42.878 63.854 33.103 283 HB2 LEU 36 HB2 LEU 36 45.143 63.625 33.030 284 HB3 LEU 36 HB3 LEU 36 45.273 62.732 34.539 285 HG LEU 36 HG LEU 36 43.761 61.545 32.176 286 HD11 LEU 36 HD11 LEU 36 46.734 61.413 32.746 287 HD12 LEU 36 HD12 LEU 36 45.825 60.328 31.621 288 HD13 LEU 36 HD13 LEU 36 45.997 62.044 31.250 289 HD21 LEU 36 HD21 LEU 36 43.574 60.270 34.258 290 HD22 LEU 36 HD22 LEU 36 44.741 59.420 33.242 291 HD23 LEU 36 HD23 LEU 36 45.325 60.441 34.562 292 H PHE 37 H PHE 37 42.871 62.447 36.452 293 HA PHE 37 HA PHE 37 41.235 60.233 35.383 294 HB2 PHE 37 HB2 PHE 37 42.524 60.639 38.075 295 HB3 PHE 37 HB3 PHE 37 41.300 59.388 37.718 296 HD1 PHE 37 HD2 PHE 37 41.645 57.823 35.762 297 HD2 PHE 37 HD1 PHE 37 44.804 60.035 37.684 298 HE1 PHE 37 HE2 PHE 37 43.314 56.181 34.924 299 HE2 PHE 37 HE1 PHE 37 46.482 58.511 36.670 300 HZ PHE 37 HZ PHE 37 45.721 56.568 35.293 301 H HIS 38 H HIS 38 40.599 63.237 37.085 302 HA HIS 38 HA HIS 38 37.985 62.819 37.932 303 HB2 HIS 38 HB2 HIS 38 39.362 64.824 38.235 304 HB3 HIS 38 HB3 HIS 38 39.268 65.190 36.507 305 HD2 HIS 38 HD2 HIS 38 36.617 65.589 35.598 306 HE1 HIS 38 HE1 HIS 38 35.402 67.257 39.316 307 HE2 HIS 38 HE2 HIS 38 34.820 67.029 36.890 308 H GLN 39 H GLN 39 39.058 63.302 34.505 309 HA GLN 39 HA GLN 39 36.641 63.189 33.079 310 HB2 GLN 39 HB2 GLN 39 39.111 63.574 32.380 311 HB3 GLN 39 HB3 GLN 39 39.242 61.809 32.376 312 HG2 GLN 39 HG2 GLN 39 37.393 61.634 30.776 313 HG3 GLN 39 HG3 GLN 39 37.179 63.392 30.800 314 HE21 GLN 39 HE22 GLN 39 37.422 62.873 28.299 315 HE22 GLN 39 HE21 GLN 39 39.074 62.934 27.708 316 H ALA 40 H ALA 40 38.416 60.543 34.683 317 HA ALA 40 HA ALA 40 36.844 58.498 33.285 318 HB1 ALA 40 HB1 ALA 40 39.039 58.213 35.368 319 HB2 ALA 40 HB2 ALA 40 38.195 56.883 34.544 320 HB3 ALA 40 HB3 ALA 40 39.190 57.985 33.610 321 H GLY 41 H GLY 41 36.662 60.409 36.100 322 HA2 GLY 41 HA2 GLY 41 34.099 60.404 36.758 323 HA3 GLY 41 HA3 GLY 41 34.498 58.817 37.399 324 HA PRO 42 HA PRO 42 35.453 62.076 40.598 325 HB2 PRO 42 HB2 PRO 42 33.960 61.345 42.670 326 HB3 PRO 42 HB3 PRO 42 33.226 62.063 41.204 327 HG2 PRO 42 HG2 PRO 42 33.431 59.117 41.935 328 HG3 PRO 42 HG3 PRO 42 31.979 60.010 41.404 329 HD2 PRO 42 HD2 PRO 42 33.648 58.552 39.700 330 HD3 PRO 42 HD3 PRO 42 32.672 59.948 39.158 331 H VAL 43 H VAL 43 37.616 61.201 40.521 332 HA VAL 43 HA VAL 43 38.344 58.940 42.101 333 HB VAL 43 HB VAL 43 40.538 59.454 41.864 334 HG11 VAL 43 HG11 VAL 43 40.896 59.702 39.647 335 HG12 VAL 43 HG12 VAL 43 39.164 59.225 39.578 336 HG13 VAL 43 HG13 VAL 43 39.602 60.909 39.379 337 HG21 VAL 43 HG21 VAL 43 41.541 61.491 41.153 338 HG22 VAL 43 HG22 VAL 43 39.958 62.325 41.078 339 HG23 VAL 43 HG23 VAL 43 40.639 61.842 42.637 340 H ILE 44 H ILE 44 39.010 58.633 44.157 341 HA ILE 44 HA ILE 44 38.288 60.519 46.199 342 HB ILE 44 HB ILE 44 39.847 57.927 46.146 343 HG12 ILE 44 HG12 ILE 44 37.529 57.553 45.582 344 HG13 ILE 44 HG13 ILE 44 37.940 56.854 47.142 345 HG21 ILE 44 HG21 ILE 44 40.680 59.101 48.041 346 HG22 ILE 44 HG22 ILE 44 39.060 59.619 48.526 347 HG23 ILE 44 HG23 ILE 44 39.539 57.898 48.640 348 HD11 ILE 44 HD11 ILE 44 35.724 57.770 47.232 349 HD12 ILE 44 HD12 ILE 44 36.779 58.723 48.282 350 HD13 ILE 44 HD13 ILE 44 36.285 59.342 46.661 351 H LYS 45 H LYS 45 41.524 59.541 44.892 352 HA LYS 45 HA LYS 45 42.924 61.906 45.765 353 HB2 LYS 45 HB2 LYS 45 44.176 61.212 47.523 354 HB3 LYS 45 HB3 LYS 45 42.536 60.748 47.972 355 HG2 LYS 45 HG2 LYS 45 43.193 58.351 47.191 356 HG3 LYS 45 HG3 LYS 45 44.840 58.958 47.070 357 HD2 LYS 45 HD2 LYS 45 44.585 57.885 49.186 358 HD3 LYS 45 HD3 LYS 45 44.692 59.632 49.523 359 HE2 LYS 45 HE2 LYS 45 42.392 59.813 50.012 360 HE3 LYS 45 HE3 LYS 45 42.011 58.304 49.176 361 HZ1 LYS 45 HZ1 LYS 45 43.347 58.598 51.789 362 HZ2 LYS 45 HZ2 LYS 45 41.974 57.735 51.412 363 HZ3 LYS 45 HZ3 LYS 45 43.398 57.218 50.906 364 H VAL 46 H VAL 46 45.261 61.718 45.346 365 HA VAL 46 HA VAL 46 46.055 59.534 43.460 366 HB VAL 46 HB VAL 46 46.662 62.516 43.269 367 HG11 VAL 46 HG11 VAL 46 47.697 62.136 41.199 368 HG12 VAL 46 HG12 VAL 46 48.609 61.195 42.359 369 HG13 VAL 46 HG13 VAL 46 47.469 60.341 41.308 370 HG21 VAL 46 HG21 VAL 46 44.364 61.923 42.532 371 HG22 VAL 46 HG22 VAL 46 45.366 62.353 41.135 372 HG23 VAL 46 HG23 VAL 46 45.019 60.648 41.492 373 H LYS 47 H LYS 47 48.281 58.984 43.470 374 HA LYS 47 HA LYS 47 50.148 60.237 45.405 375 HB2 LYS 47 HB2 LYS 47 49.592 58.038 46.387 376 HB3 LYS 47 HB3 LYS 47 49.555 57.300 44.804 377 HG2 LYS 47 HG2 LYS 47 51.504 56.508 45.981 378 HG3 LYS 47 HG3 LYS 47 52.009 57.431 44.593 379 HD2 LYS 47 HD2 LYS 47 52.553 59.377 46.115 380 HD3 LYS 47 HD3 LYS 47 51.930 58.422 47.480 381 HE2 LYS 47 HE2 LYS 47 53.725 56.727 47.021 382 HE3 LYS 47 HE3 LYS 47 54.271 57.687 45.667 383 HZ1 LYS 47 HZ1 LYS 47 54.603 59.530 47.437 384 HZ2 LYS 47 HZ2 LYS 47 54.426 58.335 48.523 385 HZ3 LYS 47 HZ3 LYS 47 55.614 58.261 47.449 386 H ILE 48 H ILE 48 52.037 60.711 44.641 387 HA ILE 48 HA ILE 48 53.057 59.446 42.140 388 HB ILE 48 HB ILE 48 53.059 62.252 43.148 389 HG12 ILE 48 HG12 ILE 48 51.670 61.231 41.224 390 HG13 ILE 48 HG13 ILE 48 52.482 62.768 40.917 391 HG21 ILE 48 HG21 ILE 48 55.476 61.206 41.711 392 HG22 ILE 48 HG22 ILE 48 54.919 62.906 41.633 393 HG23 ILE 48 HG23 ILE 48 55.358 62.189 43.183 394 HD11 ILE 48 HD11 ILE 48 53.356 59.996 39.989 395 HD12 ILE 48 HD12 ILE 48 52.705 61.334 38.998 396 HD13 ILE 48 HD13 ILE 48 54.318 61.459 39.737 397 HA PRO 49 HA PRO 49 56.212 58.071 45.126 398 HB2 PRO 49 HB2 PRO 49 57.712 56.653 43.268 399 HB3 PRO 49 HB3 PRO 49 56.284 56.010 44.115 400 HG2 PRO 49 HG2 PRO 49 56.501 57.190 41.324 401 HG3 PRO 49 HG3 PRO 49 55.541 55.766 41.856 402 HD2 PRO 49 HD2 PRO 49 54.571 58.282 41.392 403 HD3 PRO 49 HD3 PRO 49 53.806 57.188 42.559 404 H LYS 50 H LYS 50 58.685 58.108 45.071 405 HA LYS 50 HA LYS 50 60.061 59.478 43.046 406 HB2 LYS 50 HB2 LYS 50 59.915 60.890 45.732 407 HB3 LYS 50 HB3 LYS 50 61.272 61.046 44.586 408 HG2 LYS 50 HG2 LYS 50 59.465 61.561 42.809 409 HG3 LYS 50 HG3 LYS 50 58.388 61.837 44.204 410 HD2 LYS 50 HD2 LYS 50 59.861 63.547 45.069 411 HD3 LYS 50 HD3 LYS 50 61.042 63.268 43.785 412 HE2 LYS 50 HE2 LYS 50 59.062 63.619 42.124 413 HE3 LYS 50 HE3 LYS 50 58.194 64.279 43.507 414 HZ1 LYS 50 HZ1 LYS 50 60.150 65.718 43.863 415 HZ2 LYS 50 HZ2 LYS 50 60.748 65.285 42.422 416 HZ3 LYS 50 HZ3 LYS 50 59.342 66.064 42.460 417 H ASP 51 H ASP 51 61.622 58.393 42.772 418 HA ASP 51 HA ASP 51 63.196 56.620 44.376 419 HB2 ASP 51 HB2 ASP 51 63.260 56.876 41.864 420 HB3 ASP 51 HB3 ASP 51 63.883 58.500 42.074 421 H LYS 52 H LYS 52 65.307 56.935 45.248 422 HA LYS 52 HA LYS 52 65.882 59.025 46.951 423 HB2 LYS 52 HB2 LYS 52 68.239 58.310 46.759 424 HB3 LYS 52 HB3 LYS 52 67.189 56.898 46.851 425 HG2 LYS 52 HG2 LYS 52 68.223 56.109 45.040 426 HG3 LYS 52 HG3 LYS 52 67.435 57.338 44.074 427 HD2 LYS 52 HD2 LYS 52 69.317 58.924 44.538 428 HD3 LYS 52 HD3 LYS 52 70.173 57.622 45.392 429 HE2 LYS 52 HE2 LYS 52 69.204 57.551 42.522 430 HE3 LYS 52 HE3 LYS 52 70.878 57.847 42.969 431 HZ1 LYS 52 HZ1 LYS 52 69.860 55.414 42.511 432 HZ2 LYS 52 HZ2 LYS 52 71.160 55.606 43.502 433 HZ3 LYS 52 HZ3 LYS 52 69.642 55.454 44.072 434 H ASP 53 H ASP 53 66.346 59.156 43.449 435 HA ASP 53 HA ASP 53 67.725 61.744 43.732 436 HB2 ASP 53 HB2 ASP 53 68.579 59.838 42.236 437 HB3 ASP 53 HB3 ASP 53 67.174 60.119 41.231 438 H GLY 54 H GLY 54 64.552 60.853 43.693 439 HA2 GLY 54 HA2 GLY 54 62.887 62.453 43.911 440 HA3 GLY 54 HA3 GLY 54 63.792 63.616 42.970 441 H LYS 55 H LYS 55 62.817 60.275 41.903 442 HA LYS 55 HA LYS 55 61.015 61.646 39.984 443 HB2 LYS 55 HB2 LYS 55 63.184 61.127 38.967 444 HB3 LYS 55 HB3 LYS 55 62.890 59.384 39.260 445 HG2 LYS 55 HG2 LYS 55 62.332 59.647 36.968 446 HG3 LYS 55 HG3 LYS 55 60.779 59.629 37.775 447 HD2 LYS 55 HD2 LYS 55 60.445 61.510 36.491 448 HD3 LYS 55 HD3 LYS 55 61.313 62.292 37.837 449 HE2 LYS 55 HE2 LYS 55 63.435 61.589 36.429 450 HE3 LYS 55 HE3 LYS 55 62.281 61.467 35.097 451 HZ1 LYS 55 HZ1 LYS 55 61.669 63.716 35.361 452 HZ2 LYS 55 HZ2 LYS 55 62.468 63.829 36.813 453 HZ3 LYS 55 HZ3 LYS 55 63.315 63.695 35.461 454 HA PRO 56 HA PRO 56 58.130 58.614 41.112 455 HB2 PRO 56 HB2 PRO 56 56.356 58.757 38.998 456 HB3 PRO 56 HB3 PRO 56 56.461 59.923 40.378 457 HG2 PRO 56 HG2 PRO 56 57.718 59.989 37.657 458 HG3 PRO 56 HG3 PRO 56 56.859 61.379 38.459 459 HD2 PRO 56 HD2 PRO 56 59.472 61.451 38.572 460 HD3 PRO 56 HD3 PRO 56 58.589 61.686 40.065 461 H LYS 57 H LYS 57 60.375 57.704 38.925 462 HA LYS 57 HA LYS 57 60.857 55.791 37.737 463 HB2 LYS 57 HB2 LYS 57 58.855 54.494 39.611 464 HB3 LYS 57 HB3 LYS 57 60.221 53.708 38.798 465 HG2 LYS 57 HG2 LYS 57 61.184 53.856 40.774 466 HG3 LYS 57 HG3 LYS 57 61.538 55.536 40.344 467 HD2 LYS 57 HD2 LYS 57 59.483 56.258 41.535 468 HD3 LYS 57 HD3 LYS 57 59.126 54.558 41.981 469 HE2 LYS 57 HE2 LYS 57 61.715 55.929 42.613 470 HE3 LYS 57 HE3 LYS 57 60.309 55.953 43.731 471 HZ1 LYS 57 HZ1 LYS 57 61.838 53.620 42.812 472 HZ2 LYS 57 HZ2 LYS 57 61.659 54.163 44.350 473 HZ3 LYS 57 HZ3 LYS 57 60.416 53.488 43.610 474 H GLN 58 H GLN 58 58.564 57.292 36.535 475 HA GLN 58 HA GLN 58 56.951 57.128 35.088 476 HB2 GLN 58 HB2 GLN 58 58.454 54.652 34.260 477 HB3 GLN 58 HB3 GLN 58 57.042 55.289 33.397 478 HG2 GLN 58 HG2 GLN 58 58.261 57.534 33.296 479 HG3 GLN 58 HG3 GLN 58 59.725 56.673 33.773 480 HE21 GLN 58 HE21 GLN 58 57.205 57.125 31.393 481 HE22 GLN 58 HE22 GLN 58 57.987 56.307 30.049 482 H PHE 59 H PHE 59 56.147 56.277 37.562 483 HA PHE 59 HA PHE 59 53.696 54.859 36.871 484 HB2 PHE 59 HB2 PHE 59 53.816 53.004 38.070 485 HB3 PHE 59 HB3 PHE 59 55.438 53.173 37.450 486 HD1 PHE 59 HD1 PHE 59 53.276 53.301 40.492 487 HD2 PHE 59 HD2 PHE 59 57.300 53.305 38.994 488 HE1 PHE 59 HE1 PHE 59 54.115 52.726 42.750 489 HE2 PHE 59 HE2 PHE 59 58.155 52.848 41.287 490 HZ PHE 59 HZ PHE 59 56.554 52.493 43.156 491 H ALA 60 H ALA 60 52.050 54.997 38.585 492 HA ALA 60 HA ALA 60 52.458 56.605 40.959 493 HB1 ALA 60 HB1 ALA 60 50.856 58.353 40.338 494 HB2 ALA 60 HB2 ALA 60 52.166 58.317 39.169 495 HB3 ALA 60 HB3 ALA 60 50.584 57.582 38.765 496 H PHE 61 H PHE 61 50.168 56.877 41.937 497 HA PHE 61 HA PHE 61 48.330 54.606 41.349 498 HB2 PHE 61 HB2 PHE 61 49.800 55.340 43.882 499 HB3 PHE 61 HB3 PHE 61 48.214 54.629 44.040 500 HD1 PHE 61 HD1 PHE 61 47.837 52.379 42.632 501 HD2 PHE 61 HD2 PHE 61 51.689 53.896 43.835 502 HE1 PHE 61 HE1 PHE 61 48.741 50.069 42.674 503 HE2 PHE 61 HE2 PHE 61 52.535 51.561 44.022 504 HZ PHE 61 HZ PHE 61 51.060 49.660 43.491 505 H VAL 62 H VAL 62 46.136 54.775 42.159 506 HA VAL 62 HA VAL 62 45.131 57.458 42.970 507 HB VAL 62 HB VAL 62 43.892 56.001 40.600 508 HG11 VAL 62 HG11 VAL 62 43.568 58.747 41.888 509 HG12 VAL 62 HG12 VAL 62 42.975 58.405 40.266 510 HG13 VAL 62 HG13 VAL 62 42.306 57.516 41.638 511 HG21 VAL 62 HG21 VAL 62 45.794 58.368 40.617 512 HG22 VAL 62 HG22 VAL 62 46.085 56.808 39.794 513 HG23 VAL 62 HG23 VAL 62 44.815 57.876 39.208 514 H ASN 63 H ASN 63 43.375 57.359 44.261 515 HA ASN 63 HA ASN 63 42.221 54.685 44.866 516 HB2 ASN 63 HB2 ASN 63 43.212 56.154 46.709 517 HB3 ASN 63 HB3 ASN 63 41.783 57.197 46.450 518 HD21 ASN 63 HD22 ASN 63 42.404 53.621 46.858 519 HD22 ASN 63 HD21 ASN 63 40.851 53.392 47.635 520 H PHE 64 H PHE 64 40.109 54.294 44.647 521 HA PHE 64 HA PHE 64 38.125 56.269 43.652 522 HB2 PHE 64 HB2 PHE 64 38.901 53.632 42.348 523 HB3 PHE 64 HB3 PHE 64 37.312 54.275 42.146 524 HD1 PHE 64 HD1 PHE 64 40.834 54.719 41.269 525 HD2 PHE 64 HD2 PHE 64 36.854 56.276 40.712 526 HE1 PHE 64 HE1 PHE 64 41.594 55.979 39.270 527 HE2 PHE 64 HE2 PHE 64 37.562 57.314 38.584 528 HZ PHE 64 HZ PHE 64 39.949 57.247 37.899 529 H LYS 65 H LYS 65 35.975 55.602 44.143 530 HA LYS 65 HA LYS 65 35.496 54.141 46.566 531 HB2 LYS 65 HB2 LYS 65 34.022 55.940 45.806 532 HB3 LYS 65 HB3 LYS 65 33.767 55.115 44.264 533 HG2 LYS 65 HG2 LYS 65 32.638 53.256 45.341 534 HG3 LYS 65 HG3 LYS 65 32.942 53.927 46.950 535 HD2 LYS 65 HD2 LYS 65 31.383 55.767 46.493 536 HD3 LYS 65 HD3 LYS 65 31.174 55.201 44.822 537 HE2 LYS 65 HE2 LYS 65 30.264 53.042 45.641 538 HE3 LYS 65 HE3 LYS 65 30.524 53.529 47.306 539 HZ1 LYS 65 HZ1 LYS 65 28.672 54.700 47.304 540 HZ2 LYS 65 HZ2 LYS 65 28.849 55.356 45.812 541 HZ3 LYS 65 HZ3 LYS 65 28.233 53.867 46.052 542 H HIS 66 H HIS 66 35.729 51.986 46.645 543 HA HIS 66 HA HIS 66 36.160 50.260 44.539 544 HB2 HIS 66 HB2 HIS 66 36.800 49.776 46.834 545 HB3 HIS 66 HB3 HIS 66 35.112 49.673 47.337 546 HD2 HIS 66 HD2 HIS 66 33.801 47.537 47.032 547 HE1 HIS 66 HE1 HIS 66 36.542 45.268 44.734 548 HE2 HIS 66 HE2 HIS 66 34.350 45.224 46.013 549 H GLU 67 H GLU 67 34.954 48.357 43.709 550 HA GLU 67 HA GLU 67 32.082 48.540 43.524 551 HB2 GLU 67 HB2 GLU 67 33.081 50.517 42.074 552 HB3 GLU 67 HB3 GLU 67 33.735 49.269 41.067 553 HG2 GLU 67 HG2 GLU 67 31.637 50.294 40.203 554 HG3 GLU 67 HG3 GLU 67 31.584 48.554 40.325 555 H VAL 68 H VAL 68 31.190 46.985 41.858 556 HA VAL 68 HA VAL 68 32.916 44.613 41.581 557 HB VAL 68 HB VAL 68 29.996 44.800 40.831 558 HG11 VAL 68 HG11 VAL 68 30.087 42.322 41.333 559 HG12 VAL 68 HG12 VAL 68 30.981 42.829 39.933 560 HG13 VAL 68 HG13 VAL 68 31.867 42.491 41.444 561 HG21 VAL 68 HG21 VAL 68 29.621 43.716 43.159 562 HG22 VAL 68 HG22 VAL 68 31.202 44.362 43.602 563 HG23 VAL 68 HG23 VAL 68 29.911 45.452 43.090 564 H SER 69 H SER 69 32.780 47.316 39.748 565 HA SER 69 HA SER 69 32.783 45.939 37.112 566 HB2 SER 69 HB2 SER 69 33.151 48.259 36.224 567 HB3 SER 69 HB3 SER 69 31.583 47.939 36.981 568 HG SER 69 HG SER 69 32.215 49.756 37.821 569 H VAL 70 H VAL 70 34.674 46.457 35.619 570 HA VAL 70 HA VAL 70 37.279 46.715 36.970 571 HB VAL 70 HB VAL 70 38.242 46.831 34.661 572 HG11 VAL 70 HG11 VAL 70 36.737 44.445 35.710 573 HG12 VAL 70 HG12 VAL 70 37.933 44.337 34.389 574 HG13 VAL 70 HG13 VAL 70 38.434 44.898 35.985 575 HG21 VAL 70 HG21 VAL 70 36.050 47.439 33.472 576 HG22 VAL 70 HG22 VAL 70 36.969 46.121 32.743 577 HG23 VAL 70 HG23 VAL 70 35.541 45.755 33.706 578 HA PRO 71 HA PRO 71 37.649 51.013 37.119 579 HB2 PRO 71 HB2 PRO 71 40.385 50.798 35.825 580 HB3 PRO 71 HB3 PRO 71 39.922 51.627 37.350 581 HG2 PRO 71 HG2 PRO 71 41.135 49.211 37.392 582 HG3 PRO 71 HG3 PRO 71 39.758 49.576 38.502 583 HD2 PRO 71 HD2 PRO 71 39.761 48.022 35.916 584 HD3 PRO 71 HD3 PRO 71 38.983 47.657 37.496 585 H TYR 72 H TYR 72 36.634 52.484 35.950 586 HA TYR 72 HA TYR 72 36.046 52.331 33.234 587 HB2 TYR 72 HB2 TYR 72 34.879 53.625 35.059 588 HB3 TYR 72 HB3 TYR 72 36.045 54.919 34.881 589 HD1 TYR 72 HD2 TYR 72 33.394 52.979 33.144 590 HD2 TYR 72 HD1 TYR 72 35.705 56.607 33.260 591 HE1 TYR 72 HE2 TYR 72 31.844 54.013 31.490 592 HE2 TYR 72 HE1 TYR 72 34.056 57.706 31.749 593 HH TYR 72 HH TYR 72 32.111 57.500 30.757 594 H ALA 73 H ALA 73 38.732 54.212 34.731 595 HA ALA 73 HA ALA 73 39.648 55.511 32.441 596 HB1 ALA 73 HB1 ALA 73 41.191 54.504 34.866 597 HB2 ALA 73 HB2 ALA 73 41.822 55.619 33.624 598 HB3 ALA 73 HB3 ALA 73 40.492 56.121 34.645 599 H MET 74 H MET 74 40.172 52.061 33.286 600 HA MET 74 HA MET 74 42.416 51.702 31.512 601 HB2 MET 74 HB2 MET 74 41.503 50.232 33.536 602 HB3 MET 74 HB3 MET 74 40.585 49.442 32.244 603 HG2 MET 74 HG2 MET 74 42.641 48.807 31.110 604 HG3 MET 74 HG3 MET 74 43.565 49.997 32.014 605 HE1 MET 74 HE1 MET 74 41.026 47.678 34.022 606 HE2 MET 74 HE2 MET 74 41.362 46.797 32.510 607 HE3 MET 74 HE3 MET 74 41.954 46.166 34.061 608 H ASN 75 H ASN 75 38.997 51.944 30.831 609 HA ASN 75 HA ASN 75 39.885 51.596 27.994 610 HB2 ASN 75 HB2 ASN 75 37.846 50.328 28.675 611 HB3 ASN 75 HB3 ASN 75 37.049 51.866 29.021 612 HD21 ASN 75 HD22 ASN 75 36.062 52.969 27.266 613 HD22 ASN 75 HD21 ASN 75 36.364 52.617 25.600 614 H LEU 76 H LEU 76 38.535 54.023 30.238 615 HA LEU 76 HA LEU 76 37.821 55.871 28.257 616 HB2 LEU 76 HB2 LEU 76 37.261 55.630 30.820 617 HB3 LEU 76 HB3 LEU 76 38.678 56.625 31.070 618 HG LEU 76 HG LEU 76 36.584 57.849 31.187 619 HD11 LEU 76 HD11 LEU 76 38.066 58.774 28.721 620 HD12 LEU 76 HD12 LEU 76 37.075 59.714 29.842 621 HD13 LEU 76 HD13 LEU 76 38.623 59.032 30.409 622 HD21 LEU 76 HD21 LEU 76 35.191 56.666 29.468 623 HD22 LEU 76 HD22 LEU 76 35.258 58.418 29.207 624 HD23 LEU 76 HD23 LEU 76 36.232 57.365 28.192 625 H LEU 77 H LEU 77 40.847 55.823 30.256 626 HA LEU 77 HA LEU 77 42.014 57.814 28.395 627 HB2 LEU 77 HB2 LEU 77 43.026 56.868 31.104 628 HB3 LEU 77 HB3 LEU 77 43.844 58.001 30.019 629 HG LEU 77 HG LEU 77 42.942 59.344 31.638 630 HD11 LEU 77 HD11 LEU 77 42.211 60.282 29.419 631 HD12 LEU 77 HD12 LEU 77 40.719 59.354 29.524 632 HD13 LEU 77 HD13 LEU 77 41.074 60.629 30.711 633 HD21 LEU 77 HD21 LEU 77 40.398 57.763 31.583 634 HD22 LEU 77 HD22 LEU 77 41.717 57.690 32.801 635 HD23 LEU 77 HD23 LEU 77 40.795 59.178 32.618 636 H ASN 78 H ASN 78 43.698 55.271 30.125 637 HA ASN 78 HA ASN 78 45.552 54.107 29.277 638 HB2 ASN 78 HB2 ASN 78 43.698 52.717 30.075 639 HB3 ASN 78 HB3 ASN 78 43.063 52.578 28.404 640 HD21 ASN 78 HD22 ASN 78 44.982 51.669 26.921 641 HD22 ASN 78 HD21 ASN 78 46.000 50.459 27.671 642 H GLY 79 H GLY 79 46.408 55.717 27.775 643 HA2 GLY 79 HA2 GLY 79 47.473 55.089 25.450 644 HA3 GLY 79 HA3 GLY 79 45.800 55.200 24.898 645 H ILE 80 H ILE 80 46.730 57.511 27.338 646 HA ILE 80 HA ILE 80 46.548 59.646 25.266 647 HB ILE 80 HB ILE 80 44.847 60.850 26.356 648 HG12 ILE 80 HG12 ILE 80 43.884 59.522 28.545 649 HG13 ILE 80 HG13 ILE 80 45.632 59.346 28.729 650 HG21 ILE 80 HG21 ILE 80 43.796 58.042 26.711 651 HG22 ILE 80 HG22 ILE 80 42.937 59.536 26.285 652 HG23 ILE 80 HG23 ILE 80 44.005 58.792 25.105 653 HD11 ILE 80 HD11 ILE 80 45.935 61.752 28.820 654 HD12 ILE 80 HD12 ILE 80 44.290 62.069 28.242 655 HD13 ILE 80 HD13 ILE 80 44.513 61.380 29.834 656 H LYS 81 H LYS 81 47.436 61.619 25.676 657 HA LYS 81 HA LYS 81 48.567 62.449 28.179 658 HB2 LYS 81 HB2 LYS 81 50.979 62.530 27.218 659 HB3 LYS 81 HB3 LYS 81 50.335 61.086 27.928 660 HG2 LYS 81 HG2 LYS 81 51.513 60.379 26.020 661 HG3 LYS 81 HG3 LYS 81 49.805 60.161 25.702 662 HD2 LYS 81 HD2 LYS 81 49.845 62.139 24.169 663 HD3 LYS 81 HD3 LYS 81 51.493 62.511 24.707 664 HE2 LYS 81 HE2 LYS 81 52.035 60.060 23.870 665 HE3 LYS 81 HE3 LYS 81 50.487 60.172 23.039 666 HZ1 LYS 81 HZ1 LYS 81 52.862 61.840 22.572 667 HZ2 LYS 81 HZ2 LYS 81 52.093 60.905 21.547 668 HZ3 LYS 81 HZ3 LYS 81 51.374 62.271 22.029 669 H LEU 82 H LEU 82 49.772 64.584 27.816 670 HA LEU 82 HA LEU 82 49.448 65.758 25.076 671 HB2 LEU 82 HB2 LEU 82 49.533 67.342 27.662 672 HB3 LEU 82 HB3 LEU 82 49.381 67.982 26.029 673 HG LEU 82 HG LEU 82 47.337 66.173 27.398 674 HD11 LEU 82 HD11 LEU 82 47.114 69.137 26.827 675 HD12 LEU 82 HD12 LEU 82 46.002 68.108 27.766 676 HD13 LEU 82 HD13 LEU 82 47.607 68.470 28.411 677 HD21 LEU 82 HD21 LEU 82 46.970 67.909 24.908 678 HD22 LEU 82 HD22 LEU 82 47.216 66.158 24.828 679 HD23 LEU 82 HD23 LEU 82 45.788 66.817 25.644 680 H TYR 83 H TYR 83 51.498 65.750 28.041 681 HA TYR 83 HA TYR 83 53.767 66.947 26.991 682 HB2 TYR 83 HB2 TYR 83 53.347 64.748 29.073 683 HB3 TYR 83 HB3 TYR 83 54.945 65.362 28.738 684 HD1 TYR 83 HD1 TYR 83 54.087 68.365 28.448 685 HD2 TYR 83 HD2 TYR 83 53.247 65.312 31.361 686 HE1 TYR 83 HE1 TYR 83 54.013 70.086 30.206 687 HE2 TYR 83 HE2 TYR 83 53.263 67.060 33.173 688 HH TYR 83 HH TYR 83 53.344 70.396 32.488 689 H GLY 84 H GLY 84 53.118 63.382 26.968 690 HA2 GLY 84 HA2 GLY 84 54.864 62.855 24.682 691 HA3 GLY 84 HA3 GLY 84 55.734 62.771 26.210 692 H ARG 85 H ARG 85 54.483 61.304 27.943 693 HA ARG 85 HA ARG 85 54.306 58.697 26.515 694 HB2 ARG 85 HB2 ARG 85 55.129 59.338 29.348 695 HB3 ARG 85 HB3 ARG 85 55.020 57.735 28.632 696 HG2 ARG 85 HG2 ARG 85 57.270 58.139 28.455 697 HG3 ARG 85 HG3 ARG 85 56.681 58.544 26.834 698 HD2 ARG 85 HD2 ARG 85 56.749 60.979 27.565 699 HD3 ARG 85 HD3 ARG 85 57.443 60.398 29.106 700 HE ARG 85 HE ARG 85 59.036 59.400 26.941 701 HH11 ARG 85 HH11 ARG 85 58.403 62.657 28.198 702 HH12 ARG 85 HH12 ARG 85 60.110 62.965 28.414 703 HH21 ARG 85 HH21 ARG 85 61.169 59.988 27.244 704 HH22 ARG 85 HH22 ARG 85 61.575 61.582 27.835 705 HA PRO 86 HA PRO 86 50.137 58.940 27.596 706 HB2 PRO 86 HB2 PRO 86 49.256 56.549 26.549 707 HB3 PRO 86 HB3 PRO 86 49.684 57.972 25.547 708 HG2 PRO 86 HG2 PRO 86 51.446 55.539 26.181 709 HG3 PRO 86 HG3 PRO 86 51.209 56.415 24.611 710 HD2 PRO 86 HD2 PRO 86 53.326 56.795 26.319 711 HD3 PRO 86 HD3 PRO 86 52.644 58.065 25.264 712 H ILE 87 H ILE 87 48.881 58.458 29.285 713 HA ILE 87 HA ILE 87 49.810 56.790 31.399 714 HB ILE 87 HB ILE 87 47.281 58.290 30.724 715 HG12 ILE 87 HG12 ILE 87 49.182 59.603 31.450 716 HG13 ILE 87 HG13 ILE 87 47.804 59.694 32.561 717 HG21 ILE 87 HG21 ILE 87 46.290 56.536 31.933 718 HG22 ILE 87 HG22 ILE 87 47.592 56.511 33.159 719 HG23 ILE 87 HG23 ILE 87 46.464 57.883 33.070 720 HD11 ILE 87 HD11 ILE 87 49.758 59.656 33.865 721 HD12 ILE 87 HD12 ILE 87 48.964 58.090 34.095 722 HD13 ILE 87 HD13 ILE 87 50.396 58.211 33.040 723 H LYS 88 H LYS 88 49.835 54.767 31.615 724 HA LYS 88 HA LYS 88 47.886 52.980 30.273 725 HB2 LYS 88 HB2 LYS 88 50.151 52.520 29.591 726 HB3 LYS 88 HB3 LYS 88 50.691 52.402 31.289 727 HG2 LYS 88 HG2 LYS 88 50.472 50.218 30.182 728 HG3 LYS 88 HG3 LYS 88 49.479 50.374 31.633 729 HD2 LYS 88 HD2 LYS 88 47.511 50.936 30.123 730 HD3 LYS 88 HD3 LYS 88 48.570 50.659 28.739 731 HE2 LYS 88 HE2 LYS 88 48.244 48.430 28.856 732 HE3 LYS 88 HE3 LYS 88 48.701 48.382 30.560 733 HZ1 LYS 88 HZ1 LYS 88 46.536 47.692 30.530 734 HZ2 LYS 88 HZ2 LYS 88 46.367 49.269 30.932 735 HZ3 LYS 88 HZ3 LYS 88 46.036 48.767 29.405 736 H ILE 89 H ILE 89 46.223 52.644 31.717 737 HA ILE 89 HA ILE 89 46.717 52.371 34.614 738 HB ILE 89 HB ILE 89 44.255 52.004 32.875 739 HG12 ILE 89 HG12 ILE 89 43.545 54.037 34.486 740 HG13 ILE 89 HG13 ILE 89 45.252 54.384 34.476 741 HG21 ILE 89 HG21 ILE 89 44.545 51.887 35.889 742 HG22 ILE 89 HG22 ILE 89 42.994 51.994 35.021 743 HG23 ILE 89 HG23 ILE 89 44.035 50.586 34.777 744 HD11 ILE 89 HD11 ILE 89 43.539 54.019 31.964 745 HD12 ILE 89 HD12 ILE 89 43.825 55.581 32.750 746 HD13 ILE 89 HD13 ILE 89 45.177 54.697 32.015 747 H GLN 90 H GLN 90 46.768 50.396 35.788 748 HA GLN 90 HA GLN 90 46.729 47.826 34.315 749 HB2 GLN 90 HB2 GLN 90 48.829 48.833 36.261 750 HB3 GLN 90 HB3 GLN 90 48.708 47.162 35.647 751 HG2 GLN 90 HG2 GLN 90 49.300 47.812 33.439 752 HG3 GLN 90 HG3 GLN 90 49.136 49.545 33.826 753 HE21 GLN 90 HE22 GLN 90 51.452 49.099 32.600 754 HE22 GLN 90 HE21 GLN 90 52.753 49.083 33.768 755 H PHE 91 H PHE 91 45.764 46.288 35.346 756 HA PHE 91 HA PHE 91 44.752 46.606 38.154 757 HB2 PHE 91 HB2 PHE 91 43.106 47.464 36.391 758 HB3 PHE 91 HB3 PHE 91 43.134 45.819 35.738 759 HD1 PHE 91 HD2 PHE 91 42.830 47.447 39.125 760 HD2 PHE 91 HD1 PHE 91 41.433 44.372 36.451 761 HE1 PHE 91 HE2 PHE 91 41.313 46.575 40.904 762 HE2 PHE 91 HE1 PHE 91 39.896 43.542 38.212 763 HZ PHE 91 HZ PHE 91 39.829 44.678 40.440 764 H ARG 92 H ARG 92 44.616 44.773 39.260 765 HA ARG 92 HA ARG 92 44.371 42.214 37.797 766 HB2 ARG 92 HB2 ARG 92 45.817 42.664 40.445 767 HB3 ARG 92 HB3 ARG 92 45.422 41.085 39.785 768 HG2 ARG 92 HG2 ARG 92 47.152 42.990 38.186 769 HG3 ARG 92 HG3 ARG 92 47.837 42.109 39.538 770 HD2 ARG 92 HD2 ARG 92 46.289 40.624 37.366 771 HD3 ARG 92 HD3 ARG 92 47.936 41.159 37.071 772 HE ARG 92 HE ARG 92 48.841 39.630 38.521 773 HH11 ARG 92 HH11 ARG 92 45.253 39.312 38.641 774 HH12 ARG 92 HH12 ARG 92 45.476 37.583 38.698 775 HH21 ARG 92 HH21 ARG 92 48.777 37.410 38.753 776 HH22 ARG 92 HH22 ARG 92 47.225 36.675 39.115 777 H SER 93 H SER 93 42.667 41.137 38.306 778 HA SER 93 HA SER 93 40.720 42.283 40.097 779 HB2 SER 93 HB2 SER 93 39.430 40.100 39.488 780 HB3 SER 93 HB3 SER 93 39.742 41.256 38.201 781 HG SER 93 HG SER 93 40.244 39.064 37.802 782 H GLY 94 H GLY 94 39.680 41.302 41.840 783 HA2 GLY 94 HA2 GLY 94 41.466 40.250 43.797 784 HA3 GLY 94 HA3 GLY 94 39.737 40.540 44.002 785 H SER 95 H SER 95 41.690 38.266 44.655 786 HA SER 95 HA SER 95 40.546 35.850 43.479 787 HB2 SER 95 HB2 SER 95 42.036 34.625 44.751 788 HB3 SER 95 HB3 SER 95 42.930 36.087 44.363 789 HG SER 95 HG SER 95 42.801 36.678 46.427 790 H SER 96 H SER 96 39.832 37.805 46.339 791 HA SER 96 HA SER 96 38.460 37.718 48.105 792 HB2 SER 96 HB2 SER 96 36.616 36.481 46.057 793 HB3 SER 96 HB3 SER 96 36.104 37.106 47.633 794 HG SER 96 HG SER 96 35.956 38.624 45.995 795 H HIS 97 H HIS 97 40.095 35.307 47.767 796 HA HIS 97 HA HIS 97 38.731 32.904 48.492 797 HB2 HIS 97 HB2 HIS 97 40.735 33.158 47.144 798 HB3 HIS 97 HB3 HIS 97 41.622 33.832 48.503 799 HD2 HIS 97 HD2 HIS 97 39.995 30.446 47.450 800 HE1 HIS 97 HE1 HIS 97 43.162 29.592 50.160 801 HE2 HIS 97 HE2 HIS 97 41.390 28.593 48.655 802 H ALA 98 H ALA 98 40.107 35.410 50.602 803 HA ALA 98 HA ALA 98 40.323 33.654 52.833 804 HB1 ALA 98 HB1 ALA 98 40.140 36.676 52.970 805 HB2 ALA 98 HB2 ALA 98 41.108 35.574 53.980 806 HB3 ALA 98 HB3 ALA 98 41.562 35.863 52.292 807 HA PRO 99 HA PRO 99 36.287 33.611 54.829 808 HB2 PRO 99 HB2 PRO 99 37.673 34.762 57.237 809 HB3 PRO 99 HB3 PRO 99 36.539 33.393 57.162 810 HG2 PRO 99 HG2 PRO 99 39.202 32.878 57.301 811 HG3 PRO 99 HG3 PRO 99 38.170 31.951 56.168 812 HD2 PRO 99 HD2 PRO 99 40.001 34.259 55.562 813 HD3 PRO 99 HD3 PRO 99 39.731 32.734 54.651 814 H GLN 100 H GLN 100 34.531 35.211 55.110 815 HA GLN 100 HA GLN 100 35.132 37.596 53.730 816 HB2 GLN 100 HB2 GLN 100 32.980 36.038 53.850 817 HB3 GLN 100 HB3 GLN 100 32.443 37.221 55.028 818 HG2 GLN 100 HG2 GLN 100 32.881 39.017 53.235 819 HG3 GLN 100 HG3 GLN 100 33.290 37.691 52.128 820 HE21 GLN 100 HE22 GLN 100 30.538 38.314 54.412 821 HE22 GLN 100 HE21 GLN 100 29.328 37.776 53.287 822 H ASP 101 H ASP 101 34.384 37.165 57.155 823 HA ASP 101 HA ASP 101 35.065 40.006 57.792 824 HB2 ASP 101 HB2 ASP 101 32.630 39.485 58.075 825 HB3 ASP 101 HB3 ASP 101 33.077 38.185 59.175 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 53.574 31.961 18.557 2 H2 GLY 1 H2 GLY 1 53.684 30.386 18.136 3 H3 GLY 1 H3 GLY 1 53.685 31.539 16.990 4 HA2 GLY 1 HA2 GLY 1 55.942 30.506 17.606 5 HA3 GLY 1 HA3 GLY 1 55.829 32.271 17.433 6 H SER 2 H SER 2 57.028 33.165 18.843 7 HA SER 2 HA SER 2 56.958 32.425 21.711 8 HB2 SER 2 HB2 SER 2 59.004 33.973 20.023 9 HB3 SER 2 HB3 SER 2 59.163 33.672 21.756 10 HG SER 2 HG SER 2 59.601 31.652 21.328 11 H GLU 3 H GLU 3 56.935 34.217 23.253 12 HA GLU 3 HA GLU 3 55.293 36.562 22.382 13 HB2 GLU 3 HB2 GLU 3 55.419 35.096 25.054 14 HB3 GLU 3 HB3 GLU 3 54.716 36.681 24.868 15 HG2 GLU 3 HG2 GLU 3 52.907 35.272 24.794 16 HG3 GLU 3 HG3 GLU 3 53.153 35.718 23.128 17 H PHE 4 H PHE 4 56.264 38.456 22.261 18 HA PHE 4 HA PHE 4 58.029 39.340 24.502 19 HB2 PHE 4 HB2 PHE 4 59.423 38.825 22.554 20 HB3 PHE 4 HB3 PHE 4 58.493 39.907 21.550 21 HD1 PHE 4 HD1 PHE 4 58.706 42.450 21.982 22 HD2 PHE 4 HD2 PHE 4 61.302 39.514 23.780 23 HE1 PHE 4 HE1 PHE 4 60.419 44.192 22.403 24 HE2 PHE 4 HE2 PHE 4 62.946 41.254 24.281 25 HZ PHE 4 HZ PHE 4 62.474 43.638 23.682 26 H GLU 5 H GLU 5 55.715 40.515 21.963 27 HA GLU 5 HA GLU 5 55.694 43.205 23.001 28 HB2 GLU 5 HB2 GLU 5 54.206 43.652 21.188 29 HB3 GLU 5 HB3 GLU 5 55.454 42.531 20.633 30 HG2 GLU 5 HG2 GLU 5 53.927 40.626 20.926 31 HG3 GLU 5 HG3 GLU 5 52.726 41.676 21.639 32 H LEU 6 H LEU 6 54.652 41.069 24.968 33 HA LEU 6 HA LEU 6 51.830 41.972 25.305 34 HB2 LEU 6 HB2 LEU 6 53.234 39.416 26.115 35 HB3 LEU 6 HB3 LEU 6 51.648 39.922 26.675 36 HG LEU 6 HG LEU 6 50.770 39.653 24.291 37 HD11 LEU 6 HD11 LEU 6 53.568 38.485 23.858 38 HD12 LEU 6 HD12 LEU 6 52.157 38.173 22.815 39 HD13 LEU 6 HD13 LEU 6 52.796 39.809 22.972 40 HD21 LEU 6 HD21 LEU 6 50.366 38.087 26.027 41 HD22 LEU 6 HD22 LEU 6 50.753 37.153 24.596 42 HD23 LEU 6 HD23 LEU 6 51.978 37.376 25.878 43 H ARG 7 H ARG 7 51.102 42.528 27.383 44 HA ARG 7 HA ARG 7 52.969 43.786 29.155 45 HB2 ARG 7 HB2 ARG 7 50.103 43.071 29.799 46 HB3 ARG 7 HB3 ARG 7 51.169 44.225 30.614 47 HG2 ARG 7 HG2 ARG 7 50.100 45.767 29.460 48 HG3 ARG 7 HG3 ARG 7 51.281 45.371 28.233 49 HD2 ARG 7 HD2 ARG 7 49.086 45.607 27.222 50 HD3 ARG 7 HD3 ARG 7 49.514 43.890 27.154 51 HE ARG 7 HE ARG 7 48.056 44.234 29.546 52 HH11 ARG 7 HH11 ARG 7 47.193 44.975 26.144 53 HH12 ARG 7 HH12 ARG 7 45.500 44.965 26.555 54 HH21 ARG 7 HH21 ARG 7 45.968 43.951 29.787 55 HH22 ARG 7 HH22 ARG 7 44.863 44.443 28.504 56 H ARG 8 H ARG 8 53.658 43.189 31.266 57 HA ARG 8 HA ARG 8 52.948 40.700 32.638 58 HB2 ARG 8 HB2 ARG 8 55.270 39.936 32.942 59 HB3 ARG 8 HB3 ARG 8 54.790 39.861 31.273 60 HG2 ARG 8 HG2 ARG 8 56.085 41.889 30.777 61 HG3 ARG 8 HG3 ARG 8 56.400 42.147 32.499 62 HD2 ARG 8 HD2 ARG 8 57.772 40.103 32.591 63 HD3 ARG 8 HD3 ARG 8 57.400 39.738 30.904 64 HE ARG 8 HE ARG 8 59.246 41.797 31.928 65 HH11 ARG 8 HH11 ARG 8 57.439 40.662 29.035 66 HH12 ARG 8 HH12 ARG 8 58.477 41.608 28.016 67 HH21 ARG 8 HH21 ARG 8 60.435 42.843 30.434 68 HH22 ARG 8 HH22 ARG 8 60.232 42.491 28.717 69 H GLN 9 H GLN 9 54.164 40.719 34.770 70 HA GLN 9 HA GLN 9 54.464 43.452 35.930 71 HB2 GLN 9 HB2 GLN 9 53.054 41.105 37.244 72 HB3 GLN 9 HB3 GLN 9 53.484 42.592 38.049 73 HG2 GLN 9 HG2 GLN 9 51.527 42.329 35.731 74 HG3 GLN 9 HG3 GLN 9 51.083 42.692 37.384 75 HE21 GLN 9 HE21 GLN 9 50.826 44.087 34.716 76 HE22 GLN 9 HE22 GLN 9 51.483 45.705 34.909 77 H GLN 10 H GLN 10 55.591 43.084 38.201 78 HA GLN 10 HA GLN 10 58.127 41.792 37.498 79 HB2 GLN 10 HB2 GLN 10 57.691 43.259 40.104 80 HB3 GLN 10 HB3 GLN 10 59.140 43.022 39.107 81 HG2 GLN 10 HG2 GLN 10 58.152 44.445 37.349 82 HG3 GLN 10 HG3 GLN 10 56.787 44.827 38.417 83 HE21 GLN 10 HE22 GLN 10 59.169 46.402 37.245 84 HE22 GLN 10 HE21 GLN 10 59.731 47.303 38.633 85 H ALA 11 H ALA 11 55.643 41.399 39.961 86 HA ALA 11 HA ALA 11 55.819 38.549 39.957 87 HB1 ALA 11 HB1 ALA 11 56.343 38.301 42.401 88 HB2 ALA 11 HB2 ALA 11 57.675 38.791 41.357 89 HB3 ALA 11 HB3 ALA 11 56.892 40.010 42.389 90 H LEU 12 H LEU 12 54.399 38.462 42.680 91 HA LEU 12 HA LEU 12 51.786 39.093 41.480 92 HB2 LEU 12 HB2 LEU 12 52.238 37.540 44.018 93 HB3 LEU 12 HB3 LEU 12 50.817 37.635 42.980 94 HG LEU 12 HG LEU 12 53.460 36.308 42.169 95 HD11 LEU 12 HD11 LEU 12 50.742 35.215 42.973 96 HD12 LEU 12 HD12 LEU 12 52.143 34.253 42.388 97 HD13 LEU 12 HD13 LEU 12 52.213 35.081 43.951 98 HD21 LEU 12 HD21 LEU 12 50.726 36.346 40.842 99 HD22 LEU 12 HD22 LEU 12 52.180 37.116 40.166 100 HD23 LEU 12 HD23 LEU 12 52.133 35.359 40.361 101 H ALA 13 H ALA 13 50.060 40.063 42.808 102 HA ALA 13 HA ALA 13 50.832 42.036 44.855 103 HB1 ALA 13 HB1 ALA 13 51.360 43.429 42.940 104 HB2 ALA 13 HB2 ALA 13 49.917 42.849 42.064 105 HB3 ALA 13 HB3 ALA 13 49.761 43.898 43.476 106 H GLU 14 H GLU 14 48.869 43.241 45.656 107 HA GLU 14 HA GLU 14 46.194 42.407 44.759 108 HB2 GLU 14 HB2 GLU 14 46.883 40.765 46.505 109 HB3 GLU 14 HB3 GLU 14 47.134 42.102 47.614 110 HG2 GLU 14 HG2 GLU 14 45.134 40.742 48.085 111 HG3 GLU 14 HG3 GLU 14 44.695 42.394 47.873 112 H ALA 15 H ALA 15 44.443 43.689 45.847 113 HA ALA 15 HA ALA 15 45.291 46.427 46.574 114 HB1 ALA 15 HB1 ALA 15 43.508 45.785 44.218 115 HB2 ALA 15 HB2 ALA 15 43.944 47.390 44.831 116 HB3 ALA 15 HB3 ALA 15 45.207 46.350 44.119 117 H ASP 16 H ASP 16 43.792 47.743 47.442 118 HA ASP 16 HA ASP 16 41.016 47.018 47.965 119 HB2 ASP 16 HB2 ASP 16 42.310 46.227 49.905 120 HB3 ASP 16 HB3 ASP 16 43.107 47.774 50.064 121 H ARG 17 H ARG 17 40.124 48.498 46.926 122 HA ARG 17 HA ARG 17 39.536 50.248 45.788 123 HB2 ARG 17 HB2 ARG 17 40.310 51.663 48.346 124 HB3 ARG 17 HB3 ARG 17 39.198 52.324 47.155 125 HG2 ARG 17 HG2 ARG 17 37.458 50.839 47.738 126 HG3 ARG 17 HG3 ARG 17 38.570 49.709 48.567 127 HD2 ARG 17 HD2 ARG 17 39.110 51.409 50.237 128 HD3 ARG 17 HD3 ARG 17 38.089 52.587 49.392 129 HE ARG 17 HE ARG 17 36.287 51.772 50.604 130 HH11 ARG 17 HH11 ARG 17 38.862 49.280 50.789 131 HH12 ARG 17 HH12 ARG 17 37.695 48.132 51.400 132 HH21 ARG 17 HH21 ARG 17 35.060 50.162 51.581 133 HH22 ARG 17 HH22 ARG 17 35.813 48.657 52.089 134 H THR 18 H THR 18 42.531 49.820 45.418 135 HA THR 18 HA THR 18 43.178 52.573 44.501 136 HB THR 18 HB THR 18 45.376 51.152 45.961 137 HG1 THR 18 HG1 THR 18 43.703 51.257 47.454 138 HG21 THR 18 HG21 THR 18 44.563 54.099 45.902 139 HG22 THR 18 HG22 THR 18 46.158 53.429 46.279 140 HG23 THR 18 HG23 THR 18 45.577 53.437 44.614 141 H LEU 19 H LEU 19 44.391 52.799 42.822 142 HA LEU 19 HA LEU 19 44.421 50.485 40.958 143 HB2 LEU 19 HB2 LEU 19 42.682 52.213 40.831 144 HB3 LEU 19 HB3 LEU 19 43.919 53.468 40.736 145 HG LEU 19 HG LEU 19 44.506 52.932 38.511 146 HD11 LEU 19 HD11 LEU 19 43.253 50.264 39.109 147 HD12 LEU 19 HD12 LEU 19 43.165 50.888 37.434 148 HD13 LEU 19 HD13 LEU 19 44.725 50.672 38.217 149 HD21 LEU 19 HD21 LEU 19 42.250 53.229 37.468 150 HD22 LEU 19 HD22 LEU 19 41.520 52.572 38.966 151 HD23 LEU 19 HD23 LEU 19 42.367 54.114 38.993 152 H PHE 20 H PHE 20 46.274 49.929 40.045 153 HA PHE 20 HA PHE 20 48.651 51.603 40.286 154 HB2 PHE 20 HB2 PHE 20 48.865 49.065 40.185 155 HB3 PHE 20 HB3 PHE 20 48.407 49.173 38.486 156 HD1 PHE 20 HD2 PHE 20 50.992 50.545 40.867 157 HD2 PHE 20 HD1 PHE 20 49.879 49.832 36.766 158 HE1 PHE 20 HE2 PHE 20 53.334 50.960 40.138 159 HE2 PHE 20 HE1 PHE 20 52.225 50.075 36.076 160 HZ PHE 20 HZ PHE 20 53.955 50.731 37.754 161 H VAL 21 H VAL 21 49.355 53.091 38.860 162 HA VAL 21 HA VAL 21 48.478 52.848 36.020 163 HB VAL 21 HB VAL 21 48.799 55.424 37.614 164 HG11 VAL 21 HG11 VAL 21 47.894 55.016 34.731 165 HG12 VAL 21 HG12 VAL 21 47.926 56.564 35.605 166 HG13 VAL 21 HG13 VAL 21 49.435 55.748 35.238 167 HG21 VAL 21 HG21 VAL 21 46.665 54.097 38.109 168 HG22 VAL 21 HG22 VAL 21 46.354 55.646 37.352 169 HG23 VAL 21 HG23 VAL 21 46.313 54.120 36.394 170 H GLY 22 H GLY 22 50.210 52.550 34.735 171 HA2 GLY 22 HA2 GLY 22 52.765 53.844 35.548 172 HA3 GLY 22 HA3 GLY 22 52.825 52.271 34.842 173 H ASN 23 H ASN 23 54.192 53.415 33.415 174 HA ASN 23 HA ASN 23 54.926 54.322 31.489 175 HB2 ASN 23 HB2 ASN 23 52.750 52.987 30.696 176 HB3 ASN 23 HB3 ASN 23 52.161 54.616 30.451 177 HD21 ASN 23 HD21 ASN 23 52.114 54.656 28.346 178 HD22 ASN 23 HD22 ASN 23 53.458 54.355 27.237 179 H LEU 24 H LEU 24 54.370 55.957 33.671 180 HA LEU 24 HA LEU 24 53.089 58.470 32.938 181 HB2 LEU 24 HB2 LEU 24 55.027 57.637 35.114 182 HB3 LEU 24 HB3 LEU 24 54.404 59.241 34.996 183 HG LEU 24 HG LEU 24 53.456 57.527 36.680 184 HD11 LEU 24 HD11 LEU 24 51.697 59.376 35.108 185 HD12 LEU 24 HD12 LEU 24 51.041 58.431 36.461 186 HD13 LEU 24 HD13 LEU 24 52.326 59.518 36.811 187 HD21 LEU 24 HD21 LEU 24 52.821 55.772 34.987 188 HD22 LEU 24 HD22 LEU 24 51.510 56.260 36.095 189 HD23 LEU 24 HD23 LEU 24 51.501 56.830 34.430 190 H GLU 25 H GLU 25 54.053 60.428 32.663 191 HA GLU 25 HA GLU 25 56.568 60.355 31.225 192 HB2 GLU 25 HB2 GLU 25 54.341 62.217 31.549 193 HB3 GLU 25 HB3 GLU 25 55.855 63.067 31.767 194 HG2 GLU 25 HG2 GLU 25 55.566 61.155 29.435 195 HG3 GLU 25 HG3 GLU 25 54.803 62.699 29.303 196 H THR 26 H THR 26 58.145 62.043 31.590 197 HA THR 26 HA THR 26 59.656 61.450 33.976 198 HB THR 26 HB THR 26 61.462 62.558 32.765 199 HG1 THR 26 HG1 THR 26 59.574 63.374 30.904 200 HG21 THR 26 HG21 THR 26 59.851 61.430 30.455 201 HG22 THR 26 HG22 THR 26 61.523 61.076 30.887 202 HG23 THR 26 HG23 THR 26 60.204 60.364 31.820 203 H LYS 27 H LYS 27 57.367 63.731 33.153 204 HA LYS 27 HA LYS 27 58.093 65.833 35.169 205 HB2 LYS 27 HB2 LYS 27 56.466 65.817 32.621 206 HB3 LYS 27 HB3 LYS 27 56.487 67.210 33.693 207 HG2 LYS 27 HG2 LYS 27 59.123 66.122 32.719 208 HG3 LYS 27 HG3 LYS 27 58.058 66.920 31.571 209 HD2 LYS 27 HD2 LYS 27 59.767 68.443 32.540 210 HD3 LYS 27 HD3 LYS 27 58.109 69.001 32.869 211 HE2 LYS 27 HE2 LYS 27 58.348 68.135 35.197 212 HE3 LYS 27 HE3 LYS 27 59.891 67.397 34.706 213 HZ1 LYS 27 HZ1 LYS 27 59.297 70.273 35.035 214 HZ2 LYS 27 HZ2 LYS 27 60.396 69.434 35.821 215 HZ3 LYS 27 HZ3 LYS 27 60.595 69.806 34.245 216 H VAL 28 H VAL 28 56.136 63.160 35.205 217 HA VAL 28 HA VAL 28 53.613 64.395 35.558 218 HB VAL 28 HB VAL 28 53.988 62.082 34.828 219 HG11 VAL 28 HG11 VAL 28 55.594 61.215 36.325 220 HG12 VAL 28 HG12 VAL 28 54.635 61.662 37.761 221 HG13 VAL 28 HG13 VAL 28 54.146 60.308 36.736 222 HG21 VAL 28 HG21 VAL 28 51.810 63.093 35.640 223 HG22 VAL 28 HG22 VAL 28 51.943 61.353 35.490 224 HG23 VAL 28 HG23 VAL 28 52.029 62.125 37.113 225 H THR 29 H THR 29 52.178 64.385 37.368 226 HA THR 29 HA THR 29 53.252 64.624 40.081 227 HB THR 29 HB THR 29 52.252 66.933 40.460 228 HG1 THR 29 HG1 THR 29 52.223 67.542 37.925 229 HG21 THR 29 HG21 THR 29 54.558 66.679 38.520 230 HG22 THR 29 HG22 THR 29 54.092 68.153 39.406 231 HG23 THR 29 HG23 THR 29 54.511 66.646 40.282 232 H GLU 30 H GLU 30 51.339 65.341 41.602 233 HA GLU 30 HA GLU 30 49.176 63.458 41.149 234 HB2 GLU 30 HB2 GLU 30 49.712 65.409 43.426 235 HB3 GLU 30 HB3 GLU 30 48.493 64.120 43.431 236 HG2 GLU 30 HG2 GLU 30 50.422 62.450 43.313 237 HG3 GLU 30 HG3 GLU 30 51.510 63.827 43.401 238 H GLU 31 H GLU 31 49.685 66.778 40.525 239 HA GLU 31 HA GLU 31 46.874 67.638 40.416 240 HB2 GLU 31 HB2 GLU 31 49.536 68.697 39.368 241 HB3 GLU 31 HB3 GLU 31 48.005 69.573 39.183 242 HG2 GLU 31 HG2 GLU 31 47.803 69.588 41.695 243 HG3 GLU 31 HG3 GLU 31 49.411 68.866 41.789 244 H LEU 32 H LEU 32 49.437 66.541 38.183 245 HA LEU 32 HA LEU 32 47.902 66.893 35.807 246 HB2 LEU 32 HB2 LEU 32 50.340 66.689 35.770 247 HB3 LEU 32 HB3 LEU 32 50.240 65.043 36.415 248 HG LEU 32 HG LEU 32 49.119 64.307 34.281 249 HD11 LEU 32 HD11 LEU 32 49.843 67.131 33.419 250 HD12 LEU 32 HD12 LEU 32 49.190 65.879 32.332 251 HD13 LEU 32 HD13 LEU 32 48.169 66.551 33.612 252 HD21 LEU 32 HD21 LEU 32 51.428 65.481 32.996 253 HD22 LEU 32 HD22 LEU 32 51.854 65.111 34.671 254 HD23 LEU 32 HD23 LEU 32 51.248 63.837 33.575 255 H LEU 33 H LEU 33 48.401 64.133 37.978 256 HA LEU 33 HA LEU 33 46.761 62.268 36.506 257 HB2 LEU 33 HB2 LEU 33 47.656 62.370 39.377 258 HB3 LEU 33 HB3 LEU 33 46.928 60.927 38.626 259 HG LEU 33 HG LEU 33 49.611 62.137 37.844 260 HD11 LEU 33 HD11 LEU 33 48.946 59.629 39.434 261 HD12 LEU 33 HD12 LEU 33 50.564 60.175 38.911 262 HD13 LEU 33 HD13 LEU 33 49.617 61.145 40.057 263 HD21 LEU 33 HD21 LEU 33 48.231 60.918 35.982 264 HD22 LEU 33 HD22 LEU 33 49.912 60.577 36.236 265 HD23 LEU 33 HD23 LEU 33 48.663 59.451 36.856 266 H PHE 34 H PHE 34 45.937 64.246 39.487 267 HA PHE 34 HA PHE 34 43.276 63.387 39.644 268 HB2 PHE 34 HB2 PHE 34 44.569 64.808 41.280 269 HB3 PHE 34 HB3 PHE 34 44.214 66.190 40.249 270 HD1 PHE 34 HD1 PHE 34 41.817 66.941 39.922 271 HD2 PHE 34 HD2 PHE 34 42.801 63.695 42.589 272 HE1 PHE 34 HE1 PHE 34 39.569 67.074 40.912 273 HE2 PHE 34 HE2 PHE 34 40.461 63.719 43.445 274 HZ PHE 34 HZ PHE 34 38.844 65.341 42.593 275 H GLU 35 H GLU 35 44.529 66.100 37.615 276 HA GLU 35 HA GLU 35 41.941 67.013 36.751 277 HB2 GLU 35 HB2 GLU 35 43.020 68.429 35.300 278 HB3 GLU 35 HB3 GLU 35 44.004 68.401 36.740 279 HG2 GLU 35 HG2 GLU 35 45.656 66.907 35.569 280 HG3 GLU 35 HG3 GLU 35 44.641 66.941 34.142 281 H LEU 36 H LEU 36 44.129 64.489 35.605 282 HA LEU 36 HA LEU 36 42.854 63.967 33.083 283 HB2 LEU 36 HB2 LEU 36 45.218 63.518 33.478 284 HB3 LEU 36 HB3 LEU 36 44.845 62.506 34.856 285 HG LEU 36 HG LEU 36 43.530 61.476 32.420 286 HD11 LEU 36 HD11 LEU 36 46.569 61.649 32.589 287 HD12 LEU 36 HD12 LEU 36 45.656 60.592 31.472 288 HD13 LEU 36 HD13 LEU 36 45.577 62.368 31.320 289 HD21 LEU 36 HD21 LEU 36 45.574 60.283 34.325 290 HD22 LEU 36 HD22 LEU 36 43.814 60.280 34.568 291 HD23 LEU 36 HD23 LEU 36 44.514 59.407 33.191 292 H PHE 37 H PHE 37 42.661 62.443 36.353 293 HA PHE 37 HA PHE 37 40.967 60.294 35.301 294 HB2 PHE 37 HB2 PHE 37 42.321 60.945 37.905 295 HB3 PHE 37 HB3 PHE 37 41.165 59.593 37.837 296 HD1 PHE 37 HD2 PHE 37 41.724 58.142 35.453 297 HD2 PHE 37 HD1 PHE 37 44.391 60.074 38.187 298 HE1 PHE 37 HE2 PHE 37 43.656 56.767 34.559 299 HE2 PHE 37 HE1 PHE 37 46.300 58.787 37.291 300 HZ PHE 37 HZ PHE 37 45.915 57.120 35.439 301 H HIS 38 H HIS 38 40.445 63.364 36.508 302 HA HIS 38 HA HIS 38 37.742 63.169 37.467 303 HB2 HIS 38 HB2 HIS 38 39.041 65.197 37.483 304 HB3 HIS 38 HB3 HIS 38 39.162 65.223 35.721 305 HD2 HIS 38 HD2 HIS 38 35.785 64.755 37.669 306 HE1 HIS 38 HE1 HIS 38 35.807 68.717 36.164 307 HE2 HIS 38 HE2 HIS 38 34.524 67.049 37.530 308 H GLN 39 H GLN 39 39.044 63.141 34.087 309 HA GLN 39 HA GLN 39 36.596 62.787 32.734 310 HB2 GLN 39 HB2 GLN 39 39.310 61.594 32.135 311 HB3 GLN 39 HB3 GLN 39 37.911 61.559 31.037 312 HG2 GLN 39 HG2 GLN 39 37.699 63.951 31.026 313 HG3 GLN 39 HG3 GLN 39 39.066 64.126 32.165 314 HE21 GLN 39 HE22 GLN 39 40.629 65.075 30.978 315 HE22 GLN 39 HE21 GLN 39 41.324 64.369 29.530 316 H ALA 40 H ALA 40 38.140 60.441 34.862 317 HA ALA 40 HA ALA 40 36.837 58.157 33.498 318 HB1 ALA 40 HB1 ALA 40 39.215 58.039 33.893 319 HB2 ALA 40 HB2 ALA 40 38.952 58.370 35.635 320 HB3 ALA 40 HB3 ALA 40 38.368 56.847 34.900 321 H GLY 41 H GLY 41 36.299 60.254 35.993 322 HA2 GLY 41 HA2 GLY 41 34.060 60.121 37.099 323 HA3 GLY 41 HA3 GLY 41 34.364 58.416 37.376 324 HA PRO 42 HA PRO 42 35.166 60.810 41.141 325 HB2 PRO 42 HB2 PRO 42 34.030 59.193 43.019 326 HB3 PRO 42 HB3 PRO 42 33.074 60.076 41.787 327 HG2 PRO 42 HG2 PRO 42 33.936 57.213 41.734 328 HG3 PRO 42 HG3 PRO 42 32.312 57.924 41.400 329 HD2 PRO 42 HD2 PRO 42 34.156 57.291 39.430 330 HD3 PRO 42 HD3 PRO 42 32.924 58.577 39.255 331 H VAL 43 H VAL 43 37.275 60.967 41.341 332 HA VAL 43 HA VAL 43 39.014 58.873 42.539 333 HB VAL 43 HB VAL 43 39.518 61.593 41.282 334 HG11 VAL 43 HG11 VAL 43 41.611 59.912 42.711 335 HG12 VAL 43 HG12 VAL 43 41.897 61.356 41.710 336 HG13 VAL 43 HG13 VAL 43 40.998 61.514 43.205 337 HG21 VAL 43 HG21 VAL 43 41.056 60.274 39.839 338 HG22 VAL 43 HG22 VAL 43 40.380 58.770 40.507 339 HG23 VAL 43 HG23 VAL 43 39.342 59.885 39.620 340 H ILE 44 H ILE 44 39.341 58.751 44.584 341 HA ILE 44 HA ILE 44 38.417 60.764 46.493 342 HB ILE 44 HB ILE 44 40.027 58.215 46.959 343 HG12 ILE 44 HG12 ILE 44 37.026 58.763 47.137 344 HG13 ILE 44 HG13 ILE 44 37.821 57.635 46.054 345 HG21 ILE 44 HG21 ILE 44 38.458 59.743 49.043 346 HG22 ILE 44 HG22 ILE 44 39.662 58.436 49.268 347 HG23 ILE 44 HG23 ILE 44 40.192 60.016 48.781 348 HD11 ILE 44 HD11 ILE 44 36.682 56.389 47.827 349 HD12 ILE 44 HD12 ILE 44 38.419 56.183 48.012 350 HD13 ILE 44 HD13 ILE 44 37.509 57.287 49.079 351 H LYS 45 H LYS 45 41.571 59.507 45.294 352 HA LYS 45 HA LYS 45 42.961 61.909 45.796 353 HB2 LYS 45 HB2 LYS 45 44.350 61.442 47.647 354 HB3 LYS 45 HB3 LYS 45 42.725 61.141 48.220 355 HG2 LYS 45 HG2 LYS 45 44.105 58.730 47.205 356 HG3 LYS 45 HG3 LYS 45 44.994 59.521 48.467 357 HD2 LYS 45 HD2 LYS 45 42.064 58.710 48.820 358 HD3 LYS 45 HD3 LYS 45 43.438 57.632 49.097 359 HE2 LYS 45 HE2 LYS 45 42.412 58.560 51.134 360 HE3 LYS 45 HE3 LYS 45 44.163 58.786 50.986 361 HZ1 LYS 45 HZ1 LYS 45 42.110 60.849 50.444 362 HZ2 LYS 45 HZ2 LYS 45 43.042 60.783 51.749 363 HZ3 LYS 45 HZ3 LYS 45 43.718 61.068 50.321 364 H VAL 46 H VAL 46 45.208 61.835 45.452 365 HA VAL 46 HA VAL 46 46.062 59.674 43.567 366 HB VAL 46 HB VAL 46 46.395 62.686 43.555 367 HG11 VAL 46 HG11 VAL 46 47.423 60.666 41.527 368 HG12 VAL 46 HG12 VAL 46 47.454 62.460 41.456 369 HG13 VAL 46 HG13 VAL 46 48.403 61.584 42.689 370 HG21 VAL 46 HG21 VAL 46 44.161 62.069 42.834 371 HG22 VAL 46 HG22 VAL 46 45.118 62.538 41.428 372 HG23 VAL 46 HG23 VAL 46 44.789 60.815 41.759 373 H LYS 47 H LYS 47 48.129 58.970 43.562 374 HA LYS 47 HA LYS 47 50.062 60.002 45.529 375 HB2 LYS 47 HB2 LYS 47 49.353 57.833 46.515 376 HB3 LYS 47 HB3 LYS 47 49.398 57.035 44.952 377 HG2 LYS 47 HG2 LYS 47 51.283 56.276 46.216 378 HG3 LYS 47 HG3 LYS 47 51.873 57.235 44.875 379 HD2 LYS 47 HD2 LYS 47 51.913 59.235 46.469 380 HD3 LYS 47 HD3 LYS 47 51.695 58.053 47.787 381 HE2 LYS 47 HE2 LYS 47 53.757 56.921 47.175 382 HE3 LYS 47 HE3 LYS 47 53.995 57.968 45.785 383 HZ1 LYS 47 HZ1 LYS 47 55.279 58.818 47.619 384 HZ2 LYS 47 HZ2 LYS 47 54.058 59.859 47.340 385 HZ3 LYS 47 HZ3 LYS 47 53.945 58.848 48.593 386 H ILE 48 H ILE 48 51.810 60.682 44.738 387 HA ILE 48 HA ILE 48 52.978 59.528 42.247 388 HB ILE 48 HB ILE 48 52.975 62.312 43.402 389 HG12 ILE 48 HG12 ILE 48 51.451 61.554 41.471 390 HG13 ILE 48 HG13 ILE 48 52.457 63.007 41.204 391 HG21 ILE 48 HG21 ILE 48 55.200 61.170 41.752 392 HG22 ILE 48 HG22 ILE 48 54.771 62.897 41.647 393 HG23 ILE 48 HG23 ILE 48 55.285 62.238 43.190 394 HD11 ILE 48 HD11 ILE 48 53.431 60.328 40.204 395 HD12 ILE 48 HD12 ILE 48 52.307 61.360 39.259 396 HD13 ILE 48 HD13 ILE 48 53.903 61.963 39.742 397 HA PRO 49 HA PRO 49 56.103 58.266 45.284 398 HB2 PRO 49 HB2 PRO 49 57.583 56.730 43.520 399 HB3 PRO 49 HB3 PRO 49 56.121 56.149 44.378 400 HG2 PRO 49 HG2 PRO 49 56.419 57.228 41.561 401 HG3 PRO 49 HG3 PRO 49 55.505 55.785 42.128 402 HD2 PRO 49 HD2 PRO 49 54.363 58.260 41.591 403 HD3 PRO 49 HD3 PRO 49 53.707 57.192 42.857 404 H LYS 50 H LYS 50 58.519 58.307 45.137 405 HA LYS 50 HA LYS 50 59.857 59.740 43.080 406 HB2 LYS 50 HB2 LYS 50 59.457 61.224 45.682 407 HB3 LYS 50 HB3 LYS 50 60.891 61.479 44.691 408 HG2 LYS 50 HG2 LYS 50 59.113 61.683 42.713 409 HG3 LYS 50 HG3 LYS 50 58.038 62.182 44.030 410 HD2 LYS 50 HD2 LYS 50 59.566 64.068 44.513 411 HD3 LYS 50 HD3 LYS 50 60.635 63.516 43.204 412 HE2 LYS 50 HE2 LYS 50 58.560 63.652 41.662 413 HE3 LYS 50 HE3 LYS 50 57.776 64.566 42.953 414 HZ1 LYS 50 HZ1 LYS 50 58.796 66.096 41.457 415 HZ2 LYS 50 HZ2 LYS 50 59.790 66.088 42.747 416 HZ3 LYS 50 HZ3 LYS 50 60.188 65.244 41.429 417 H ASP 51 H ASP 51 61.380 58.364 42.866 418 HA ASP 51 HA ASP 51 62.965 56.763 44.605 419 HB2 ASP 51 HB2 ASP 51 62.838 56.676 42.093 420 HB3 ASP 51 HB3 ASP 51 63.639 58.238 42.021 421 H LYS 52 H LYS 52 65.281 57.118 45.083 422 HA LYS 52 HA LYS 52 66.028 59.304 46.553 423 HB2 LYS 52 HB2 LYS 52 68.362 58.557 46.151 424 HB3 LYS 52 HB3 LYS 52 67.274 57.227 46.513 425 HG2 LYS 52 HG2 LYS 52 67.989 56.155 44.727 426 HG3 LYS 52 HG3 LYS 52 67.153 57.340 43.712 427 HD2 LYS 52 HD2 LYS 52 69.170 58.644 43.439 428 HD3 LYS 52 HD3 LYS 52 70.034 57.547 44.558 429 HE2 LYS 52 HE2 LYS 52 70.575 56.982 42.244 430 HE3 LYS 52 HE3 LYS 52 69.688 55.674 43.047 431 HZ1 LYS 52 HZ1 LYS 52 68.784 57.383 40.871 432 HZ2 LYS 52 HZ2 LYS 52 68.718 55.786 41.067 433 HZ3 LYS 52 HZ3 LYS 52 67.667 56.726 41.891 434 H ASP 53 H ASP 53 66.233 59.038 43.019 435 HA ASP 53 HA ASP 53 67.613 61.516 42.530 436 HB2 ASP 53 HB2 ASP 53 67.490 59.537 41.018 437 HB3 ASP 53 HB3 ASP 53 65.765 59.730 40.884 438 H GLY 54 H GLY 54 64.335 60.884 43.432 439 HA2 GLY 54 HA2 GLY 54 62.619 62.353 43.861 440 HA3 GLY 54 HA3 GLY 54 63.538 63.686 43.126 441 H LYS 55 H LYS 55 62.324 60.490 42.147 442 HA LYS 55 HA LYS 55 60.880 61.675 39.860 443 HB2 LYS 55 HB2 LYS 55 63.186 61.076 39.228 444 HB3 LYS 55 HB3 LYS 55 62.852 59.374 39.621 445 HG2 LYS 55 HG2 LYS 55 62.544 59.448 37.273 446 HG3 LYS 55 HG3 LYS 55 60.920 59.576 37.898 447 HD2 LYS 55 HD2 LYS 55 60.898 61.299 36.336 448 HD3 LYS 55 HD3 LYS 55 61.275 62.173 37.801 449 HE2 LYS 55 HE2 LYS 55 63.705 62.125 37.161 450 HE3 LYS 55 HE3 LYS 55 63.259 61.372 35.635 451 HZ1 LYS 55 HZ1 LYS 55 63.307 63.941 35.684 452 HZ2 LYS 55 HZ2 LYS 55 61.921 63.309 35.074 453 HZ3 LYS 55 HZ3 LYS 55 62.004 63.855 36.590 454 HA PRO 56 HA PRO 56 57.851 58.670 41.159 455 HB2 PRO 56 HB2 PRO 56 56.088 58.904 39.016 456 HB3 PRO 56 HB3 PRO 56 56.214 60.094 40.375 457 HG2 PRO 56 HG2 PRO 56 57.497 60.011 37.655 458 HG3 PRO 56 HG3 PRO 56 56.677 61.439 38.405 459 HD2 PRO 56 HD2 PRO 56 59.398 61.185 38.403 460 HD3 PRO 56 HD3 PRO 56 58.561 61.867 39.804 461 H LYS 57 H LYS 57 60.140 57.761 39.259 462 HA LYS 57 HA LYS 57 60.786 55.813 38.101 463 HB2 LYS 57 HB2 LYS 57 58.661 54.425 39.679 464 HB3 LYS 57 HB3 LYS 57 60.206 53.794 39.074 465 HG2 LYS 57 HG2 LYS 57 60.716 53.921 41.241 466 HG3 LYS 57 HG3 LYS 57 61.245 55.539 40.771 467 HD2 LYS 57 HD2 LYS 57 59.088 56.478 41.537 468 HD3 LYS 57 HD3 LYS 57 58.495 54.849 41.947 469 HE2 LYS 57 HE2 LYS 57 61.074 55.836 43.114 470 HE3 LYS 57 HE3 LYS 57 59.547 56.523 43.717 471 HZ1 LYS 57 HZ1 LYS 57 58.803 54.336 44.310 472 HZ2 LYS 57 HZ2 LYS 57 60.136 53.647 43.750 473 HZ3 LYS 57 HZ3 LYS 57 60.232 54.660 45.023 474 H GLN 58 H GLN 58 58.587 57.257 36.697 475 HA GLN 58 HA GLN 58 56.993 57.116 35.268 476 HB2 GLN 58 HB2 GLN 58 58.533 54.640 34.469 477 HB3 GLN 58 HB3 GLN 58 57.141 55.198 33.524 478 HG2 GLN 58 HG2 GLN 58 58.497 57.499 33.533 479 HG3 GLN 58 HG3 GLN 58 59.846 56.421 33.880 480 HE21 GLN 58 HE21 GLN 58 57.083 56.732 31.482 481 HE22 GLN 58 HE22 GLN 58 57.871 55.733 30.272 482 H PHE 59 H PHE 59 56.096 56.278 37.690 483 HA PHE 59 HA PHE 59 53.605 55.102 36.855 484 HB2 PHE 59 HB2 PHE 59 53.476 53.220 38.184 485 HB3 PHE 59 HB3 PHE 59 54.979 53.114 37.292 486 HD1 PHE 59 HD1 PHE 59 53.541 53.760 40.697 487 HD2 PHE 59 HD2 PHE 59 57.074 52.806 38.423 488 HE1 PHE 59 HE1 PHE 59 54.792 53.293 42.804 489 HE2 PHE 59 HE2 PHE 59 58.259 52.232 40.500 490 HZ PHE 59 HZ PHE 59 57.152 52.531 42.703 491 H ALA 60 H ALA 60 51.973 55.019 38.668 492 HA ALA 60 HA ALA 60 52.345 56.484 41.127 493 HB1 ALA 60 HB1 ALA 60 52.298 58.345 39.485 494 HB2 ALA 60 HB2 ALA 60 50.764 57.725 38.837 495 HB3 ALA 60 HB3 ALA 60 50.857 58.378 40.494 496 H PHE 61 H PHE 61 50.121 56.760 42.169 497 HA PHE 61 HA PHE 61 48.262 54.515 41.472 498 HB2 PHE 61 HB2 PHE 61 49.693 55.009 44.054 499 HB3 PHE 61 HB3 PHE 61 48.051 54.458 44.123 500 HD1 PHE 61 HD1 PHE 61 47.430 52.120 43.318 501 HD2 PHE 61 HD2 PHE 61 51.502 53.518 43.215 502 HE1 PHE 61 HE1 PHE 61 48.247 49.780 43.506 503 HE2 PHE 61 HE2 PHE 61 52.302 51.158 43.386 504 HZ PHE 61 HZ PHE 61 50.682 49.302 43.416 505 H VAL 62 H VAL 62 46.177 54.818 41.883 506 HA VAL 62 HA VAL 62 45.164 57.490 42.824 507 HB VAL 62 HB VAL 62 43.964 55.865 40.537 508 HG11 VAL 62 HG11 VAL 62 43.476 58.699 41.482 509 HG12 VAL 62 HG12 VAL 62 42.703 57.894 40.092 510 HG13 VAL 62 HG13 VAL 62 42.355 57.321 41.715 511 HG21 VAL 62 HG21 VAL 62 46.125 56.774 39.749 512 HG22 VAL 62 HG22 VAL 62 44.800 57.776 39.129 513 HG23 VAL 62 HG23 VAL 62 45.782 58.333 40.506 514 H ASN 63 H ASN 63 43.576 57.453 44.318 515 HA ASN 63 HA ASN 63 42.586 54.826 45.239 516 HB2 ASN 63 HB2 ASN 63 43.639 56.648 46.847 517 HB3 ASN 63 HB3 ASN 63 42.112 57.458 46.651 518 HD21 ASN 63 HD22 ASN 63 42.994 53.916 47.312 519 HD22 ASN 63 HD21 ASN 63 41.865 53.857 48.637 520 H PHE 64 H PHE 64 40.412 54.293 45.086 521 HA PHE 64 HA PHE 64 38.688 56.053 43.432 522 HB2 PHE 64 HB2 PHE 64 38.122 54.174 42.056 523 HB3 PHE 64 HB3 PHE 64 39.836 54.451 42.029 524 HD1 PHE 64 HD1 PHE 64 37.235 52.229 43.566 525 HD2 PHE 64 HD2 PHE 64 41.360 52.625 42.402 526 HE1 PHE 64 HE1 PHE 64 37.519 49.773 43.728 527 HE2 PHE 64 HE2 PHE 64 41.645 50.164 42.574 528 HZ PHE 64 HZ PHE 64 39.734 48.736 43.273 529 H LYS 65 H LYS 65 36.304 55.273 43.358 530 HA LYS 65 HA LYS 65 35.468 54.944 46.176 531 HB2 LYS 65 HB2 LYS 65 35.015 57.052 44.824 532 HB3 LYS 65 HB3 LYS 65 33.868 56.076 43.880 533 HG2 LYS 65 HG2 LYS 65 32.522 55.616 45.797 534 HG3 LYS 65 HG3 LYS 65 33.727 56.279 46.910 535 HD2 LYS 65 HD2 LYS 65 33.274 58.570 45.959 536 HD3 LYS 65 HD3 LYS 65 32.176 57.840 44.789 537 HE2 LYS 65 HE2 LYS 65 30.654 57.088 46.464 538 HE3 LYS 65 HE3 LYS 65 31.793 57.400 47.783 539 HZ1 LYS 65 HZ1 LYS 65 30.069 59.062 47.606 540 HZ2 LYS 65 HZ2 LYS 65 31.532 59.745 47.358 541 HZ3 LYS 65 HZ3 LYS 65 30.545 59.438 46.084 542 H HIS 66 H HIS 66 34.432 53.858 42.877 543 HA HIS 66 HA HIS 66 33.120 51.482 44.108 544 HB2 HIS 66 HB2 HIS 66 31.018 51.951 43.128 545 HB3 HIS 66 HB3 HIS 66 31.535 53.459 43.859 546 HD2 HIS 66 HD2 HIS 66 29.665 52.684 40.966 547 HE1 HIS 66 HE1 HIS 66 32.581 55.228 39.209 548 HE2 HIS 66 HE2 HIS 66 30.289 54.206 38.917 549 H GLU 67 H GLU 67 35.096 52.424 41.440 550 HA GLU 67 HA GLU 67 33.995 50.510 39.533 551 HB2 GLU 67 HB2 GLU 67 35.790 51.244 38.050 552 HB3 GLU 67 HB3 GLU 67 34.942 52.620 38.704 553 HG2 GLU 67 HG2 GLU 67 36.713 52.715 40.556 554 HG3 GLU 67 HG3 GLU 67 37.663 51.582 39.604 555 H VAL 68 H VAL 68 34.456 49.282 41.853 556 HA VAL 68 HA VAL 68 36.850 47.920 42.256 557 HB VAL 68 HB VAL 68 33.991 46.970 42.847 558 HG11 VAL 68 HG11 VAL 68 36.573 46.462 44.395 559 HG12 VAL 68 HG12 VAL 68 34.954 45.964 44.897 560 HG13 VAL 68 HG13 VAL 68 35.670 45.237 43.458 561 HG21 VAL 68 HG21 VAL 68 34.243 49.279 43.736 562 HG22 VAL 68 HG22 VAL 68 34.100 48.111 45.017 563 HG23 VAL 68 HG23 VAL 68 35.694 48.747 44.648 564 H SER 69 H SER 69 37.661 45.956 41.554 565 HA SER 69 HA SER 69 38.256 44.257 40.239 566 HB2 SER 69 HB2 SER 69 35.507 43.950 39.120 567 HB3 SER 69 HB3 SER 69 36.782 42.744 39.360 568 HG SER 69 HG SER 69 34.903 43.422 40.938 569 H VAL 70 H VAL 70 36.625 46.825 38.451 570 HA VAL 70 HA VAL 70 38.632 46.457 36.339 571 HB VAL 70 HB VAL 70 37.031 44.938 35.609 572 HG11 VAL 70 HG11 VAL 70 34.913 45.594 34.628 573 HG12 VAL 70 HG12 VAL 70 34.951 45.647 36.409 574 HG13 VAL 70 HG13 VAL 70 34.976 47.156 35.464 575 HG21 VAL 70 HG21 VAL 70 36.681 45.984 33.295 576 HG22 VAL 70 HG22 VAL 70 37.534 47.404 33.944 577 HG23 VAL 70 HG23 VAL 70 38.328 45.815 33.902 578 HA PRO 71 HA PRO 71 38.179 50.786 37.415 579 HB2 PRO 71 HB2 PRO 71 40.895 50.793 36.203 580 HB3 PRO 71 HB3 PRO 71 40.225 51.597 37.676 581 HG2 PRO 71 HG2 PRO 71 41.696 49.272 37.901 582 HG3 PRO 71 HG3 PRO 71 40.255 49.622 38.930 583 HD2 PRO 71 HD2 PRO 71 40.472 47.847 36.505 584 HD3 PRO 71 HD3 PRO 71 39.598 47.603 38.046 585 H TYR 72 H TYR 72 37.595 52.399 36.395 586 HA TYR 72 HA TYR 72 36.431 52.149 33.812 587 HB2 TYR 72 HB2 TYR 72 35.490 53.299 35.829 588 HB3 TYR 72 HB3 TYR 72 36.576 54.653 35.530 589 HD1 TYR 72 HD1 TYR 72 36.445 56.042 33.590 590 HD2 TYR 72 HD2 TYR 72 33.578 52.886 34.245 591 HE1 TYR 72 HE1 TYR 72 34.823 57.188 32.059 592 HE2 TYR 72 HE2 TYR 72 32.036 53.965 32.629 593 HH TYR 72 HH TYR 72 32.714 57.069 31.159 594 H ALA 73 H ALA 73 39.233 54.096 35.107 595 HA ALA 73 HA ALA 73 39.661 55.668 32.840 596 HB1 ALA 73 HB1 ALA 73 41.640 54.499 34.827 597 HB2 ALA 73 HB2 ALA 73 42.005 55.803 33.659 598 HB3 ALA 73 HB3 ALA 73 40.841 56.083 34.965 599 H MET 74 H MET 74 40.470 52.253 33.304 600 HA MET 74 HA MET 74 42.612 52.017 31.431 601 HB2 MET 74 HB2 MET 74 42.384 50.448 33.129 602 HB3 MET 74 HB3 MET 74 40.671 50.129 32.740 603 HG2 MET 74 HG2 MET 74 41.221 48.915 30.819 604 HG3 MET 74 HG3 MET 74 42.907 49.442 30.844 605 HE1 MET 74 HE1 MET 74 41.225 46.635 34.197 606 HE2 MET 74 HE2 MET 74 40.846 48.352 34.063 607 HE3 MET 74 HE3 MET 74 40.195 47.198 32.868 608 H ASN 75 H ASN 75 39.165 52.178 30.931 609 HA ASN 75 HA ASN 75 39.410 51.594 28.010 610 HB2 ASN 75 HB2 ASN 75 37.531 50.491 29.216 611 HB3 ASN 75 HB3 ASN 75 37.045 52.024 29.888 612 HD21 ASN 75 HD22 ASN 75 35.780 53.444 28.614 613 HD22 ASN 75 HD21 ASN 75 35.318 53.115 26.949 614 H LEU 76 H LEU 76 39.036 54.246 30.297 615 HA LEU 76 HA LEU 76 37.970 56.067 28.255 616 HB2 LEU 76 HB2 LEU 76 37.381 55.660 30.778 617 HB3 LEU 76 HB3 LEU 76 38.759 56.701 31.089 618 HG LEU 76 HG LEU 76 36.734 57.959 31.183 619 HD11 LEU 76 HD11 LEU 76 37.738 58.673 28.410 620 HD12 LEU 76 HD12 LEU 76 37.125 59.746 29.673 621 HD13 LEU 76 HD13 LEU 76 38.714 58.956 29.861 622 HD21 LEU 76 HD21 LEU 76 35.252 56.455 29.865 623 HD22 LEU 76 HD22 LEU 76 35.095 58.140 29.346 624 HD23 LEU 76 HD23 LEU 76 36.025 56.992 28.364 625 H LEU 77 H LEU 77 40.987 55.730 30.045 626 HA LEU 77 HA LEU 77 42.265 57.792 28.292 627 HB2 LEU 77 HB2 LEU 77 43.148 56.919 31.028 628 HB3 LEU 77 HB3 LEU 77 43.938 58.088 29.919 629 HG LEU 77 HG LEU 77 42.968 59.404 31.498 630 HD11 LEU 77 HD11 LEU 77 41.039 60.584 30.553 631 HD12 LEU 77 HD12 LEU 77 42.247 60.287 29.280 632 HD13 LEU 77 HD13 LEU 77 40.791 59.282 29.372 633 HD21 LEU 77 HD21 LEU 77 40.160 58.476 31.481 634 HD22 LEU 77 HD22 LEU 77 41.319 57.355 32.217 635 HD23 LEU 77 HD23 LEU 77 41.207 59.048 32.781 636 H ASN 78 H ASN 78 44.125 55.440 30.132 637 HA ASN 78 HA ASN 78 45.896 54.160 29.365 638 HB2 ASN 78 HB2 ASN 78 43.824 52.983 29.942 639 HB3 ASN 78 HB3 ASN 78 43.400 52.876 28.231 640 HD21 ASN 78 HD22 ASN 78 45.371 51.751 26.929 641 HD22 ASN 78 HD21 ASN 78 45.978 50.288 27.678 642 H GLY 79 H GLY 79 46.603 56.024 27.815 643 HA2 GLY 79 HA2 GLY 79 47.949 55.193 25.720 644 HA3 GLY 79 HA3 GLY 79 46.342 55.252 24.952 645 H ILE 80 H ILE 80 47.051 57.690 27.349 646 HA ILE 80 HA ILE 80 46.867 59.696 25.144 647 HB ILE 80 HB ILE 80 45.107 60.843 26.174 648 HG12 ILE 80 HG12 ILE 80 44.177 59.507 28.360 649 HG13 ILE 80 HG13 ILE 80 45.943 59.522 28.616 650 HG21 ILE 80 HG21 ILE 80 44.511 57.849 26.416 651 HG22 ILE 80 HG22 ILE 80 43.313 59.120 26.198 652 HG23 ILE 80 HG23 ILE 80 44.500 58.786 24.915 653 HD11 ILE 80 HD11 ILE 80 45.910 62.037 28.397 654 HD12 ILE 80 HD12 ILE 80 44.217 61.977 27.928 655 HD13 ILE 80 HD13 ILE 80 44.661 61.548 29.572 656 H LYS 81 H LYS 81 47.670 61.708 25.591 657 HA LYS 81 HA LYS 81 48.848 62.433 28.075 658 HB2 LYS 81 HB2 LYS 81 51.287 62.547 27.105 659 HB3 LYS 81 HB3 LYS 81 50.638 61.065 27.761 660 HG2 LYS 81 HG2 LYS 81 51.818 60.498 25.800 661 HG3 LYS 81 HG3 LYS 81 50.091 60.281 25.494 662 HD2 LYS 81 HD2 LYS 81 50.057 62.354 24.144 663 HD3 LYS 81 HD3 LYS 81 51.736 62.711 24.622 664 HE2 LYS 81 HE2 LYS 81 52.488 60.572 23.623 665 HE3 LYS 81 HE3 LYS 81 50.831 60.156 23.217 666 HZ1 LYS 81 HZ1 LYS 81 52.309 62.471 22.113 667 HZ2 LYS 81 HZ2 LYS 81 52.164 61.057 21.374 668 HZ3 LYS 81 HZ3 LYS 81 50.828 61.980 21.629 669 H LEU 82 H LEU 82 50.173 64.499 27.765 670 HA LEU 82 HA LEU 82 49.905 65.807 25.127 671 HB2 LEU 82 HB2 LEU 82 48.029 66.679 26.496 672 HB3 LEU 82 HB3 LEU 82 49.165 67.255 27.701 673 HG LEU 82 HG LEU 82 50.137 68.745 25.828 674 HD11 LEU 82 HD11 LEU 82 48.480 69.321 24.053 675 HD12 LEU 82 HD12 LEU 82 49.141 67.684 23.807 676 HD13 LEU 82 HD13 LEU 82 47.514 67.899 24.466 677 HD21 LEU 82 HD21 LEU 82 47.215 68.992 26.687 678 HD22 LEU 82 HD22 LEU 82 48.607 69.521 27.655 679 HD23 LEU 82 HD23 LEU 82 48.211 70.359 26.156 680 H TYR 83 H TYR 83 51.723 65.227 28.087 681 HA TYR 83 HA TYR 83 54.029 66.732 27.237 682 HB2 TYR 83 HB2 TYR 83 53.651 64.353 29.074 683 HB3 TYR 83 HB3 TYR 83 55.223 65.120 28.716 684 HD1 TYR 83 HD1 TYR 83 54.530 67.991 28.782 685 HD2 TYR 83 HD2 TYR 83 53.514 64.716 31.408 686 HE1 TYR 83 HE1 TYR 83 54.583 69.532 30.709 687 HE2 TYR 83 HE2 TYR 83 53.623 66.306 33.368 688 HH TYR 83 HH TYR 83 54.552 69.571 33.098 689 H GLY 84 H GLY 84 53.610 63.132 27.272 690 HA2 GLY 84 HA2 GLY 84 54.909 62.854 24.665 691 HA3 GLY 84 HA3 GLY 84 56.034 62.711 26.026 692 H ARG 85 H ARG 85 54.827 61.234 27.912 693 HA ARG 85 HA ARG 85 54.704 58.614 26.530 694 HB2 ARG 85 HB2 ARG 85 55.553 59.075 29.424 695 HB3 ARG 85 HB3 ARG 85 55.280 57.572 28.587 696 HG2 ARG 85 HG2 ARG 85 57.562 57.767 28.350 697 HG3 ARG 85 HG3 ARG 85 56.991 58.483 26.810 698 HD2 ARG 85 HD2 ARG 85 57.261 60.682 27.724 699 HD3 ARG 85 HD3 ARG 85 57.812 59.980 29.287 700 HE ARG 85 HE ARG 85 59.541 58.871 27.403 701 HH11 ARG 85 HH11 ARG 85 58.677 62.297 27.980 702 HH12 ARG 85 HH12 ARG 85 60.157 62.785 27.204 703 HH21 ARG 85 HH21 ARG 85 61.427 59.730 26.595 704 HH22 ARG 85 HH22 ARG 85 61.607 61.470 26.533 705 HA PRO 86 HA PRO 86 50.492 58.955 27.541 706 HB2 PRO 86 HB2 PRO 86 49.572 56.602 26.490 707 HB3 PRO 86 HB3 PRO 86 50.153 57.986 25.477 708 HG2 PRO 86 HG2 PRO 86 51.761 55.560 26.370 709 HG3 PRO 86 HG3 PRO 86 51.521 56.184 24.692 710 HD2 PRO 86 HD2 PRO 86 53.680 56.849 26.152 711 HD3 PRO 86 HD3 PRO 86 52.833 58.111 25.194 712 H ILE 87 H ILE 87 49.430 58.706 29.305 713 HA ILE 87 HA ILE 87 50.059 57.066 31.523 714 HB ILE 87 HB ILE 87 47.547 58.441 30.518 715 HG12 ILE 87 HG12 ILE 87 49.118 60.047 31.214 716 HG13 ILE 87 HG13 ILE 87 47.895 59.968 32.464 717 HG21 ILE 87 HG21 ILE 87 46.608 56.673 31.794 718 HG22 ILE 87 HG22 ILE 87 47.853 56.765 33.015 719 HG23 ILE 87 HG23 ILE 87 46.632 58.081 32.873 720 HD11 ILE 87 HD11 ILE 87 50.682 58.756 32.658 721 HD12 ILE 87 HD12 ILE 87 50.076 60.170 33.523 722 HD13 ILE 87 HD13 ILE 87 49.404 58.578 33.891 723 H LYS 88 H LYS 88 49.880 55.020 31.809 724 HA LYS 88 HA LYS 88 47.843 53.395 30.388 725 HB2 LYS 88 HB2 LYS 88 50.216 53.116 29.718 726 HB3 LYS 88 HB3 LYS 88 50.658 52.729 31.387 727 HG2 LYS 88 HG2 LYS 88 50.488 50.794 29.910 728 HG3 LYS 88 HG3 LYS 88 49.525 50.724 31.408 729 HD2 LYS 88 HD2 LYS 88 47.496 51.157 30.244 730 HD3 LYS 88 HD3 LYS 88 48.363 51.470 28.697 731 HE2 LYS 88 HE2 LYS 88 48.670 48.906 30.278 732 HE3 LYS 88 HE3 LYS 88 47.334 49.095 29.129 733 HZ1 LYS 88 HZ1 LYS 88 49.418 49.817 27.634 734 HZ2 LYS 88 HZ2 LYS 88 50.126 48.702 28.632 735 HZ3 LYS 88 HZ3 LYS 88 48.828 48.338 27.700 736 H ILE 89 H ILE 89 46.263 52.656 31.629 737 HA ILE 89 HA ILE 89 46.701 52.507 34.568 738 HB ILE 89 HB ILE 89 44.124 52.273 33.019 739 HG12 ILE 89 HG12 ILE 89 43.903 54.478 34.583 740 HG13 ILE 89 HG13 ILE 89 45.623 54.564 34.285 741 HG21 ILE 89 HG21 ILE 89 44.742 52.278 36.010 742 HG22 ILE 89 HG22 ILE 89 43.121 52.520 35.337 743 HG23 ILE 89 HG23 ILE 89 43.957 50.993 35.070 744 HD11 ILE 89 HD11 ILE 89 43.369 54.436 32.235 745 HD12 ILE 89 HD12 ILE 89 44.370 55.863 32.608 746 HD13 ILE 89 HD13 ILE 89 45.059 54.482 31.741 747 H GLN 90 H GLN 90 46.863 50.654 35.729 748 HA GLN 90 HA GLN 90 46.046 48.127 34.472 749 HB2 GLN 90 HB2 GLN 90 48.658 48.253 35.996 750 HB3 GLN 90 HB3 GLN 90 48.016 46.947 35.011 751 HG2 GLN 90 HG2 GLN 90 48.270 48.451 32.976 752 HG3 GLN 90 HG3 GLN 90 49.069 49.625 33.996 753 HE21 GLN 90 HE22 GLN 90 49.526 47.110 31.876 754 HE22 GLN 90 HE21 GLN 90 51.107 46.539 32.360 755 H PHE 91 H PHE 91 45.639 46.445 35.690 756 HA PHE 91 HA PHE 91 45.296 46.413 38.583 757 HB2 PHE 91 HB2 PHE 91 43.494 47.997 37.573 758 HB3 PHE 91 HB3 PHE 91 42.726 46.572 36.953 759 HD1 PHE 91 HD2 PHE 91 44.056 48.151 40.046 760 HD2 PHE 91 HD1 PHE 91 41.065 45.456 38.492 761 HE1 PHE 91 HE2 PHE 91 43.051 47.968 42.295 762 HE2 PHE 91 HE1 PHE 91 40.003 45.386 40.711 763 HZ PHE 91 HZ PHE 91 41.066 46.512 42.657 764 H ARG 92 H ARG 92 45.275 44.285 39.192 765 HA ARG 92 HA ARG 92 44.695 42.027 37.380 766 HB2 ARG 92 HB2 ARG 92 45.337 42.183 40.356 767 HB3 ARG 92 HB3 ARG 92 45.268 40.696 39.433 768 HG2 ARG 92 HG2 ARG 92 47.174 42.932 38.585 769 HG3 ARG 92 HG3 ARG 92 47.550 41.877 39.938 770 HD2 ARG 92 HD2 ARG 92 48.574 40.795 38.257 771 HD3 ARG 92 HD3 ARG 92 47.036 39.926 38.293 772 HE ARG 92 HE ARG 92 46.909 42.118 36.375 773 HH11 ARG 92 HH11 ARG 92 48.274 38.873 36.828 774 HH12 ARG 92 HH12 ARG 92 48.702 38.796 35.133 775 HH21 ARG 92 HH21 ARG 92 46.922 41.466 34.123 776 HH22 ARG 92 HH22 ARG 92 47.658 39.902 33.765 777 H SER 93 H SER 93 42.979 40.756 37.308 778 HA SER 93 HA SER 93 40.492 42.000 37.544 779 HB2 SER 93 HB2 SER 93 39.659 39.684 36.947 780 HB3 SER 93 HB3 SER 93 40.822 40.461 35.856 781 HG SER 93 HG SER 93 41.140 38.174 36.591 782 H GLY 94 H GLY 94 39.606 42.606 39.337 783 HA2 GLY 94 HA2 GLY 94 40.046 41.516 41.949 784 HA3 GLY 94 HA3 GLY 94 38.960 42.814 41.525 785 H SER 95 H SER 95 37.535 40.599 39.731 786 HA SER 95 HA SER 95 36.502 38.812 41.808 787 HB2 SER 95 HB2 SER 95 34.651 40.829 40.462 788 HB3 SER 95 HB3 SER 95 34.117 39.360 41.316 789 HG SER 95 HG SER 95 35.605 41.504 42.338 790 H SER 96 H SER 96 35.737 36.890 41.139 791 HA SER 96 HA SER 96 35.307 36.431 38.240 792 HB2 SER 96 HB2 SER 96 36.322 34.580 40.399 793 HB3 SER 96 HB3 SER 96 35.632 33.977 38.880 794 HG SER 96 HG SER 96 37.873 34.375 38.859 795 H HIS 97 H HIS 97 33.693 35.249 37.574 796 HA HIS 97 HA HIS 97 31.161 35.657 38.997 797 HB2 HIS 97 HB2 HIS 97 31.800 36.831 36.819 798 HB3 HIS 97 HB3 HIS 97 31.732 35.292 36.029 799 HD2 HIS 97 HD2 HIS 97 29.363 34.223 35.488 800 HE1 HIS 97 HE1 HIS 97 26.898 37.397 36.825 801 HE2 HIS 97 HE2 HIS 97 26.955 35.232 35.568 802 H ALA 98 H ALA 98 33.203 33.091 37.919 803 HA ALA 98 HA ALA 98 33.156 30.895 38.112 804 HB1 ALA 98 HB1 ALA 98 31.791 29.798 39.654 805 HB2 ALA 98 HB2 ALA 98 32.039 31.432 40.288 806 HB3 ALA 98 HB3 ALA 98 30.494 31.005 39.531 807 HA PRO 99 HA PRO 99 30.977 29.117 34.665 808 HB2 PRO 99 HB2 PRO 99 31.057 26.411 35.374 809 HB3 PRO 99 HB3 PRO 99 32.268 27.277 34.409 810 HG2 PRO 99 HG2 PRO 99 32.296 26.459 37.246 811 HG3 PRO 99 HG3 PRO 99 33.695 26.820 36.159 812 HD2 PRO 99 HD2 PRO 99 32.754 28.429 38.232 813 HD3 PRO 99 HD3 PRO 99 33.787 28.983 36.886 814 H GLN 100 H GLN 100 29.118 27.676 34.226 815 HA GLN 100 HA GLN 100 26.998 28.462 36.106 816 HB2 GLN 100 HB2 GLN 100 25.564 28.336 34.164 817 HB3 GLN 100 HB3 GLN 100 27.091 29.161 33.711 818 HG2 GLN 100 HG2 GLN 100 27.879 26.821 32.901 819 HG3 GLN 100 HG3 GLN 100 26.200 26.320 33.043 820 HE21 GLN 100 HE22 GLN 100 24.657 27.102 31.536 821 HE22 GLN 100 HE21 GLN 100 25.195 27.915 30.056 822 H ASP 101 H ASP 101 28.357 25.586 34.879 823 HA ASP 101 HA ASP 101 26.031 23.876 35.166 824 HB2 ASP 101 HB2 ASP 101 27.365 22.183 34.106 825 HB3 ASP 101 HB3 ASP 101 27.503 23.712 33.270 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 64.010 44.681 30.146 2 H2 GLY 1 H2 GLY 1 64.467 43.762 28.860 3 H3 GLY 1 H3 GLY 1 63.235 43.278 29.827 4 HA2 GLY 1 HA2 GLY 1 63.168 45.671 28.127 5 HA3 GLY 1 HA3 GLY 1 62.394 44.104 27.755 6 H SER 2 H SER 2 60.265 44.335 28.069 7 HA SER 2 HA SER 2 59.220 46.423 29.742 8 HB2 SER 2 HB2 SER 2 57.721 44.154 28.375 9 HB3 SER 2 HB3 SER 2 57.023 45.540 29.242 10 HG SER 2 HG SER 2 57.645 46.821 27.692 11 H GLU 3 H GLU 3 58.751 46.346 31.893 12 HA GLU 3 HA GLU 3 58.464 45.729 33.985 13 HB2 GLU 3 HB2 GLU 3 56.707 43.519 32.832 14 HB3 GLU 3 HB3 GLU 3 56.528 44.347 34.396 15 HG2 GLU 3 HG2 GLU 3 56.177 46.485 33.110 16 HG3 GLU 3 HG3 GLU 3 56.161 45.534 31.610 17 H PHE 4 H PHE 4 60.654 44.182 32.738 18 HA PHE 4 HA PHE 4 61.141 41.811 34.120 19 HB2 PHE 4 HB2 PHE 4 62.507 42.911 32.318 20 HB3 PHE 4 HB3 PHE 4 62.904 44.181 33.450 21 HD1 PHE 4 HD2 PHE 4 62.837 40.398 33.440 22 HD2 PHE 4 HD1 PHE 4 65.018 43.973 34.412 23 HE1 PHE 4 HE2 PHE 4 64.723 39.011 34.213 24 HE2 PHE 4 HE1 PHE 4 66.873 42.593 35.320 25 HZ PHE 4 HZ PHE 4 66.743 40.087 35.181 26 H GLU 5 H GLU 5 61.622 45.161 35.383 27 HA GLU 5 HA GLU 5 62.519 44.161 38.010 28 HB2 GLU 5 HB2 GLU 5 63.357 46.250 38.397 29 HB3 GLU 5 HB3 GLU 5 63.511 46.098 36.657 30 HG2 GLU 5 HG2 GLU 5 61.054 47.211 36.745 31 HG3 GLU 5 HG3 GLU 5 61.669 47.803 38.287 32 H LEU 6 H LEU 6 59.405 44.683 36.836 33 HA LEU 6 HA LEU 6 58.195 45.727 39.276 34 HB2 LEU 6 HB2 LEU 6 57.277 44.625 36.633 35 HB3 LEU 6 HB3 LEU 6 56.163 44.500 37.939 36 HG LEU 6 HG LEU 6 56.060 46.511 36.428 37 HD11 LEU 6 HD11 LEU 6 54.807 46.063 38.639 38 HD12 LEU 6 HD12 LEU 6 56.072 46.982 39.467 39 HD13 LEU 6 HD13 LEU 6 55.011 47.775 38.289 40 HD21 LEU 6 HD21 LEU 6 58.508 47.345 36.857 41 HD22 LEU 6 HD22 LEU 6 57.201 48.525 36.993 42 HD23 LEU 6 HD23 LEU 6 57.910 47.844 38.454 43 H ARG 7 H ARG 7 56.359 44.381 40.299 44 HA ARG 7 HA ARG 7 57.503 41.952 41.362 45 HB2 ARG 7 HB2 ARG 7 54.673 43.033 41.670 46 HB3 ARG 7 HB3 ARG 7 55.376 41.643 42.492 47 HG2 ARG 7 HG2 ARG 7 55.530 43.224 44.116 48 HG3 ARG 7 HG3 ARG 7 57.159 43.225 43.427 49 HD2 ARG 7 HD2 ARG 7 56.734 45.328 42.284 50 HD3 ARG 7 HD3 ARG 7 55.017 45.261 42.701 51 HE ARG 7 HE ARG 7 55.440 46.226 44.736 52 HH11 ARG 7 HH11 ARG 7 58.615 45.018 43.602 53 HH12 ARG 7 HH12 ARG 7 59.410 46.042 44.768 54 HH21 ARG 7 HH21 ARG 7 56.572 47.340 46.074 55 HH22 ARG 7 HH22 ARG 7 58.326 47.326 46.085 56 H ARG 8 H ARG 8 57.539 40.077 40.398 57 HA ARG 8 HA ARG 8 55.813 39.427 38.043 58 HB2 ARG 8 HB2 ARG 8 58.400 38.324 39.144 59 HB3 ARG 8 HB3 ARG 8 57.490 37.509 37.875 60 HG2 ARG 8 HG2 ARG 8 57.643 39.507 36.412 61 HG3 ARG 8 HG3 ARG 8 58.643 40.338 37.625 62 HD2 ARG 8 HD2 ARG 8 59.737 37.749 36.954 63 HD3 ARG 8 HD3 ARG 8 59.374 38.646 35.477 64 HE ARG 8 HE ARG 8 60.759 40.580 36.750 65 HH11 ARG 8 HH11 ARG 8 61.367 37.217 36.027 66 HH12 ARG 8 HH12 ARG 8 63.105 37.453 36.155 67 HH21 ARG 8 HH21 ARG 8 62.981 40.756 36.921 68 HH22 ARG 8 HH22 ARG 8 63.992 39.383 36.538 69 H GLN 9 H GLN 9 55.697 38.813 41.347 70 HA GLN 9 HA GLN 9 55.391 36.036 41.625 71 HB2 GLN 9 HB2 GLN 9 54.285 38.312 43.292 72 HB3 GLN 9 HB3 GLN 9 54.223 36.622 43.767 73 HG2 GLN 9 HG2 GLN 9 56.077 37.647 44.880 74 HG3 GLN 9 HG3 GLN 9 56.614 36.395 43.779 75 HE21 GLN 9 HE22 GLN 9 58.800 37.223 43.477 76 HE22 GLN 9 HE21 GLN 9 59.004 38.698 42.529 77 H GLN 10 H GLN 10 53.403 34.727 42.071 78 HA GLN 10 HA GLN 10 51.405 34.994 40.087 79 HB2 GLN 10 HB2 GLN 10 50.222 33.192 41.387 80 HB3 GLN 10 HB3 GLN 10 51.853 32.834 40.801 81 HG2 GLN 10 HG2 GLN 10 52.725 33.295 43.111 82 HG3 GLN 10 HG3 GLN 10 51.055 33.603 43.649 83 HE21 GLN 10 HE22 GLN 10 50.947 31.795 45.136 84 HE22 GLN 10 HE21 GLN 10 51.124 30.134 44.579 85 H ALA 11 H ALA 11 51.341 36.276 43.381 86 HA ALA 11 HA ALA 11 48.649 37.451 42.889 87 HB1 ALA 11 HB1 ALA 11 48.614 35.350 44.293 88 HB2 ALA 11 HB2 ALA 11 49.531 36.270 45.517 89 HB3 ALA 11 HB3 ALA 11 47.897 36.793 45.032 90 H LEU 12 H LEU 12 48.272 39.135 44.755 91 HA LEU 12 HA LEU 12 50.440 41.092 44.480 92 HB2 LEU 12 HB2 LEU 12 47.699 41.309 45.749 93 HB3 LEU 12 HB3 LEU 12 48.733 42.661 45.278 94 HG LEU 12 HG LEU 12 47.475 40.693 43.329 95 HD11 LEU 12 HD11 LEU 12 46.648 43.548 44.011 96 HD12 LEU 12 HD12 LEU 12 46.019 42.577 42.669 97 HD13 LEU 12 HD13 LEU 12 45.716 42.084 44.346 98 HD21 LEU 12 HD21 LEU 12 49.624 41.964 42.574 99 HD22 LEU 12 HD22 LEU 12 48.182 42.107 41.553 100 HD23 LEU 12 HD23 LEU 12 48.611 43.424 42.638 101 H ALA 13 H ALA 13 50.966 42.482 46.214 102 HA ALA 13 HA ALA 13 50.749 41.473 48.957 103 HB1 ALA 13 HB1 ALA 13 52.747 40.419 48.014 104 HB2 ALA 13 HB2 ALA 13 53.458 42.019 47.706 105 HB3 ALA 13 HB3 ALA 13 53.100 41.483 49.380 106 H GLU 14 H GLU 14 50.647 44.141 46.871 107 HA GLU 14 HA GLU 14 51.259 46.172 48.948 108 HB2 GLU 14 HB2 GLU 14 53.154 45.799 47.368 109 HB3 GLU 14 HB3 GLU 14 52.152 46.243 46.012 110 HG2 GLU 14 HG2 GLU 14 51.998 48.559 46.842 111 HG3 GLU 14 HG3 GLU 14 52.913 48.112 48.294 112 H ALA 15 H ALA 15 48.701 45.083 47.075 113 HA ALA 15 HA ALA 15 47.234 47.641 47.159 114 HB1 ALA 15 HB1 ALA 15 47.487 46.346 44.461 115 HB2 ALA 15 HB2 ALA 15 46.945 47.980 44.876 116 HB3 ALA 15 HB3 ALA 15 48.663 47.571 44.990 117 H ASP 16 H ASP 16 45.018 47.390 47.099 118 HA ASP 16 HA ASP 16 43.724 44.988 46.067 119 HB2 ASP 16 HB2 ASP 16 44.502 44.363 48.388 120 HB3 ASP 16 HB3 ASP 16 43.472 45.631 49.025 121 H ARG 17 H ARG 17 43.442 48.238 47.403 122 HA ARG 17 HA ARG 17 40.703 48.601 46.250 123 HB2 ARG 17 HB2 ARG 17 41.914 49.978 48.676 124 HB3 ARG 17 HB3 ARG 17 40.249 50.101 48.116 125 HG2 ARG 17 HG2 ARG 17 41.586 47.741 49.498 126 HG3 ARG 17 HG3 ARG 17 40.377 48.828 50.137 127 HD2 ARG 17 HD2 ARG 17 38.641 47.810 49.101 128 HD3 ARG 17 HD3 ARG 17 39.555 47.364 47.649 129 HE ARG 17 HE ARG 17 40.684 45.593 49.129 130 HH11 ARG 17 HH11 ARG 17 37.381 46.728 49.749 131 HH12 ARG 17 HH12 ARG 17 36.937 45.188 50.422 132 HH21 ARG 17 HH21 ARG 17 40.090 43.851 49.924 133 HH22 ARG 17 HH22 ARG 17 38.519 43.460 50.582 134 H THR 18 H THR 18 43.856 49.716 46.082 135 HA THR 18 HA THR 18 43.133 52.404 44.991 136 HB THR 18 HB THR 18 45.876 51.573 45.985 137 HG1 THR 18 HG1 THR 18 44.814 51.765 47.769 138 HG21 THR 18 HG21 THR 18 44.762 54.375 45.724 139 HG22 THR 18 HG22 THR 18 46.456 53.843 45.776 140 HG23 THR 18 HG23 THR 18 45.517 53.632 44.304 141 H LEU 19 H LEU 19 43.992 52.856 43.000 142 HA LEU 19 HA LEU 19 44.233 50.626 41.145 143 HB2 LEU 19 HB2 LEU 19 42.590 52.601 40.958 144 HB3 LEU 19 HB3 LEU 19 43.975 53.655 40.734 145 HG LEU 19 HG LEU 19 44.554 52.724 38.666 146 HD11 LEU 19 HD11 LEU 19 43.155 50.901 37.617 147 HD12 LEU 19 HD12 LEU 19 44.121 50.362 38.982 148 HD13 LEU 19 HD13 LEU 19 42.369 50.667 39.198 149 HD21 LEU 19 HD21 LEU 19 42.609 53.177 37.285 150 HD22 LEU 19 HD22 LEU 19 41.504 52.939 38.650 151 HD23 LEU 19 HD23 LEU 19 42.580 54.343 38.616 152 H PHE 20 H PHE 20 45.903 50.275 39.555 153 HA PHE 20 HA PHE 20 48.570 51.378 40.186 154 HB2 PHE 20 HB2 PHE 20 48.215 48.862 39.843 155 HB3 PHE 20 HB3 PHE 20 47.876 49.238 38.155 156 HD1 PHE 20 HD1 PHE 20 49.664 50.340 36.708 157 HD2 PHE 20 HD2 PHE 20 50.445 48.984 40.728 158 HE1 PHE 20 HE1 PHE 20 52.073 50.618 36.320 159 HE2 PHE 20 HE2 PHE 20 52.883 49.328 40.347 160 HZ PHE 20 HZ PHE 20 53.698 50.158 38.214 161 H VAL 21 H VAL 21 49.441 52.968 38.848 162 HA VAL 21 HA VAL 21 48.548 53.093 35.991 163 HB VAL 21 HB VAL 21 49.133 55.520 37.713 164 HG11 VAL 21 HG11 VAL 21 47.759 55.361 35.002 165 HG12 VAL 21 HG12 VAL 21 48.278 56.803 35.927 166 HG13 VAL 21 HG13 VAL 21 49.477 55.735 35.206 167 HG21 VAL 21 HG21 VAL 21 47.062 54.542 38.580 168 HG22 VAL 21 HG22 VAL 21 46.681 55.991 37.668 169 HG23 VAL 21 HG23 VAL 21 46.395 54.380 36.958 170 H GLY 22 H GLY 22 50.256 52.923 34.650 171 HA2 GLY 22 HA2 GLY 22 52.894 53.889 35.589 172 HA3 GLY 22 HA3 GLY 22 52.837 52.365 34.804 173 H ASN 23 H ASN 23 54.328 53.610 33.433 174 HA ASN 23 HA ASN 23 55.004 54.568 31.503 175 HB2 ASN 23 HB2 ASN 23 53.014 53.052 30.680 176 HB3 ASN 23 HB3 ASN 23 52.219 54.606 30.384 177 HD21 ASN 23 HD21 ASN 23 52.171 54.555 28.269 178 HD22 ASN 23 HD22 ASN 23 53.546 54.295 27.192 179 H LEU 24 H LEU 24 54.319 56.055 33.679 180 HA LEU 24 HA LEU 24 53.199 58.623 33.051 181 HB2 LEU 24 HB2 LEU 24 55.228 57.744 35.134 182 HB3 LEU 24 HB3 LEU 24 54.513 59.320 35.063 183 HG LEU 24 HG LEU 24 53.651 57.482 36.735 184 HD11 LEU 24 HD11 LEU 24 51.894 59.425 35.232 185 HD12 LEU 24 HD12 LEU 24 51.378 58.504 36.665 186 HD13 LEU 24 HD13 LEU 24 52.751 59.624 36.788 187 HD21 LEU 24 HD21 LEU 24 52.981 55.814 35.030 188 HD22 LEU 24 HD22 LEU 24 51.639 56.318 36.085 189 HD23 LEU 24 HD23 LEU 24 51.753 56.935 34.417 190 H GLU 25 H GLU 25 54.158 60.506 32.758 191 HA GLU 25 HA GLU 25 56.575 60.564 31.266 192 HB2 GLU 25 HB2 GLU 25 54.379 62.360 31.820 193 HB3 GLU 25 HB3 GLU 25 55.828 63.217 32.244 194 HG2 GLU 25 HG2 GLU 25 55.624 61.743 29.578 195 HG3 GLU 25 HG3 GLU 25 54.876 63.323 29.774 196 H THR 26 H THR 26 58.203 62.015 31.537 197 HA THR 26 HA THR 26 59.936 61.369 33.735 198 HB THR 26 HB THR 26 61.568 62.598 32.500 199 HG1 THR 26 HG1 THR 26 59.417 63.648 31.070 200 HG21 THR 26 HG21 THR 26 60.648 60.388 31.498 201 HG22 THR 26 HG22 THR 26 59.787 61.381 30.315 202 HG23 THR 26 HG23 THR 26 61.556 61.452 30.398 203 H LYS 27 H LYS 27 57.913 64.087 32.869 204 HA LYS 27 HA LYS 27 58.630 65.514 35.381 205 HB2 LYS 27 HB2 LYS 27 57.455 66.784 32.890 206 HB3 LYS 27 HB3 LYS 27 58.000 67.602 34.347 207 HG2 LYS 27 HG2 LYS 27 59.806 66.062 32.450 208 HG3 LYS 27 HG3 LYS 27 59.548 67.800 32.443 209 HD2 LYS 27 HD2 LYS 27 60.685 66.252 34.823 210 HD3 LYS 27 HD3 LYS 27 61.642 66.999 33.538 211 HE2 LYS 27 HE2 LYS 27 60.729 69.205 34.093 212 HE3 LYS 27 HE3 LYS 27 59.809 68.539 35.444 213 HZ1 LYS 27 HZ1 LYS 27 61.970 69.486 36.038 214 HZ2 LYS 27 HZ2 LYS 27 61.880 67.903 36.498 215 HZ3 LYS 27 HZ3 LYS 27 62.723 68.362 35.173 216 H VAL 28 H VAL 28 56.390 63.392 35.009 217 HA VAL 28 HA VAL 28 53.871 64.633 35.250 218 HB VAL 28 HB VAL 28 54.382 62.248 34.789 219 HG11 VAL 28 HG11 VAL 28 55.969 61.888 36.533 220 HG12 VAL 28 HG12 VAL 28 54.746 61.947 37.801 221 HG13 VAL 28 HG13 VAL 28 54.706 60.646 36.593 222 HG21 VAL 28 HG21 VAL 28 52.068 63.315 35.609 223 HG22 VAL 28 HG22 VAL 28 52.277 61.647 35.112 224 HG23 VAL 28 HG23 VAL 28 52.229 62.047 36.837 225 H THR 29 H THR 29 52.354 64.208 37.193 226 HA THR 29 HA THR 29 53.191 64.716 39.893 227 HB THR 29 HB THR 29 51.920 66.972 39.988 228 HG1 THR 29 HG1 THR 29 52.480 68.048 37.872 229 HG21 THR 29 HG21 THR 29 53.892 68.247 39.866 230 HG22 THR 29 HG22 THR 29 54.462 66.596 40.186 231 HG23 THR 29 HG23 THR 29 54.571 67.281 38.551 232 H GLU 30 H GLU 30 51.414 64.842 41.324 233 HA GLU 30 HA GLU 30 49.080 63.285 40.853 234 HB2 GLU 30 HB2 GLU 30 49.380 65.360 43.029 235 HB3 GLU 30 HB3 GLU 30 48.403 63.880 43.021 236 HG2 GLU 30 HG2 GLU 30 50.425 62.507 42.957 237 HG3 GLU 30 HG3 GLU 30 51.428 63.977 43.053 238 H GLU 31 H GLU 31 49.789 66.598 40.061 239 HA GLU 31 HA GLU 31 47.024 67.575 39.908 240 HB2 GLU 31 HB2 GLU 31 49.653 68.700 38.798 241 HB3 GLU 31 HB3 GLU 31 48.099 69.565 38.880 242 HG2 GLU 31 HG2 GLU 31 48.132 69.369 41.310 243 HG3 GLU 31 HG3 GLU 31 49.721 68.581 41.238 244 H LEU 32 H LEU 32 49.407 66.234 37.696 245 HA LEU 32 HA LEU 32 47.918 66.765 35.275 246 HB2 LEU 32 HB2 LEU 32 50.394 66.405 35.141 247 HB3 LEU 32 HB3 LEU 32 50.243 64.840 35.925 248 HG LEU 32 HG LEU 32 49.031 63.909 34.022 249 HD11 LEU 32 HD11 LEU 32 48.860 65.329 31.895 250 HD12 LEU 32 HD12 LEU 32 47.823 65.908 33.204 251 HD13 LEU 32 HD13 LEU 32 49.362 66.720 32.873 252 HD21 LEU 32 HD21 LEU 32 50.780 64.350 32.144 253 HD22 LEU 32 HD22 LEU 32 51.655 65.240 33.402 254 HD23 LEU 32 HD23 LEU 32 51.290 63.497 33.582 255 H LEU 33 H LEU 33 48.538 64.036 37.393 256 HA LEU 33 HA LEU 33 46.887 62.075 36.172 257 HB2 LEU 33 HB2 LEU 33 47.826 62.560 39.006 258 HB3 LEU 33 HB3 LEU 33 46.949 61.100 38.546 259 HG LEU 33 HG LEU 33 49.714 62.012 37.660 260 HD11 LEU 33 HD11 LEU 33 48.822 59.521 39.147 261 HD12 LEU 33 HD12 LEU 33 50.487 60.042 38.767 262 HD13 LEU 33 HD13 LEU 33 49.488 61.007 39.876 263 HD21 LEU 33 HD21 LEU 33 50.073 60.103 36.403 264 HD22 LEU 33 HD22 LEU 33 48.427 59.464 36.601 265 HD23 LEU 33 HD23 LEU 33 48.718 60.963 35.681 266 H PHE 34 H PHE 34 46.069 64.447 38.886 267 HA PHE 34 HA PHE 34 43.431 63.409 39.131 268 HB2 PHE 34 HB2 PHE 34 44.702 64.750 40.820 269 HB3 PHE 34 HB3 PHE 34 44.543 66.151 39.795 270 HD1 PHE 34 HD1 PHE 34 42.378 67.302 39.535 271 HD2 PHE 34 HD2 PHE 34 42.796 63.956 42.204 272 HE1 PHE 34 HE1 PHE 34 40.185 67.860 40.589 273 HE2 PHE 34 HE2 PHE 34 40.559 64.484 43.195 274 HZ PHE 34 HZ PHE 34 39.246 66.390 42.346 275 H GLU 35 H GLU 35 44.667 66.138 37.094 276 HA GLU 35 HA GLU 35 42.047 66.712 36.051 277 HB2 GLU 35 HB2 GLU 35 42.964 68.269 34.694 278 HB3 GLU 35 HB3 GLU 35 43.996 68.286 36.122 279 HG2 GLU 35 HG2 GLU 35 45.831 67.462 35.007 280 HG3 GLU 35 HG3 GLU 35 44.889 66.656 33.764 281 H LEU 36 H LEU 36 44.344 64.264 35.131 282 HA LEU 36 HA LEU 36 43.082 63.566 32.604 283 HB2 LEU 36 HB2 LEU 36 45.485 63.122 33.066 284 HB3 LEU 36 HB3 LEU 36 45.060 62.192 34.459 285 HG LEU 36 HG LEU 36 43.806 61.152 31.931 286 HD11 LEU 36 HD11 LEU 36 46.785 61.377 32.215 287 HD12 LEU 36 HD12 LEU 36 45.981 60.132 31.199 288 HD13 LEU 36 HD13 LEU 36 45.718 61.836 30.852 289 HD21 LEU 36 HD21 LEU 36 45.306 60.093 34.354 290 HD22 LEU 36 HD22 LEU 36 43.648 59.780 33.817 291 HD23 LEU 36 HD23 LEU 36 45.030 59.065 32.942 292 H PHE 37 H PHE 37 42.867 62.371 35.974 293 HA PHE 37 HA PHE 37 40.915 60.320 35.155 294 HB2 PHE 37 HB2 PHE 37 42.136 60.811 37.900 295 HB3 PHE 37 HB3 PHE 37 41.131 59.462 37.430 296 HD1 PHE 37 HD2 PHE 37 42.002 58.030 35.371 297 HD2 PHE 37 HD1 PHE 37 44.488 60.387 37.982 298 HE1 PHE 37 HE2 PHE 37 43.968 56.565 34.862 299 HE2 PHE 37 HE1 PHE 37 46.442 59.022 37.372 300 HZ PHE 37 HZ PHE 37 46.175 57.075 35.829 301 H HIS 38 H HIS 38 40.671 63.528 35.797 302 HA HIS 38 HA HIS 38 38.259 63.659 37.330 303 HB2 HIS 38 HB2 HIS 38 39.832 65.562 36.779 304 HB3 HIS 38 HB3 HIS 38 39.213 65.553 35.116 305 HD2 HIS 38 HD2 HIS 38 38.115 65.961 38.769 306 HE1 HIS 38 HE1 HIS 38 35.950 68.847 36.533 307 HE2 HIS 38 HE2 HIS 38 36.525 68.030 38.863 308 H GLN 39 H GLN 39 38.698 63.130 33.838 309 HA GLN 39 HA GLN 39 35.785 62.872 33.396 310 HB2 GLN 39 HB2 GLN 39 38.008 61.965 31.624 311 HB3 GLN 39 HB3 GLN 39 36.323 62.360 31.212 312 HG2 GLN 39 HG2 GLN 39 38.582 64.282 31.831 313 HG3 GLN 39 HG3 GLN 39 37.679 64.063 30.328 314 HE21 GLN 39 HE22 GLN 39 38.061 66.551 32.238 315 HE22 GLN 39 HE21 GLN 39 36.384 66.999 32.503 316 H ALA 40 H ALA 40 38.324 60.856 34.766 317 HA ALA 40 HA ALA 40 36.980 58.389 33.977 318 HB1 ALA 40 HB1 ALA 40 39.288 58.506 35.938 319 HB2 ALA 40 HB2 ALA 40 38.772 57.182 34.912 320 HB3 ALA 40 HB3 ALA 40 39.534 58.596 34.169 321 H GLY 41 H GLY 41 35.618 60.397 35.691 322 HA2 GLY 41 HA2 GLY 41 33.842 60.204 37.084 323 HA3 GLY 41 HA3 GLY 41 34.164 58.460 37.215 324 HA PRO 42 HA PRO 42 34.686 59.891 41.296 325 HB2 PRO 42 HB2 PRO 42 34.961 57.516 42.726 326 HB3 PRO 42 HB3 PRO 42 33.417 58.089 42.040 327 HG2 PRO 42 HG2 PRO 42 35.452 56.229 40.746 328 HG3 PRO 42 HG3 PRO 42 33.691 55.920 40.961 329 HD2 PRO 42 HD2 PRO 42 34.671 56.824 38.661 330 HD3 PRO 42 HD3 PRO 42 33.151 57.507 39.310 331 H VAL 43 H VAL 43 36.623 60.746 42.198 332 HA VAL 43 HA VAL 43 38.953 59.009 42.529 333 HB VAL 43 HB VAL 43 39.164 61.747 41.239 334 HG11 VAL 43 HG11 VAL 43 40.805 61.805 42.929 335 HG12 VAL 43 HG12 VAL 43 41.257 60.095 42.702 336 HG13 VAL 43 HG13 VAL 43 41.705 61.310 41.494 337 HG21 VAL 43 HG21 VAL 43 40.502 60.602 39.546 338 HG22 VAL 43 HG22 VAL 43 40.342 59.049 40.402 339 HG23 VAL 43 HG23 VAL 43 38.918 59.824 39.671 340 H ILE 44 H ILE 44 39.396 59.077 44.536 341 HA ILE 44 HA ILE 44 38.495 61.219 46.391 342 HB ILE 44 HB ILE 44 39.916 58.563 46.837 343 HG12 ILE 44 HG12 ILE 44 37.494 58.341 46.280 344 HG13 ILE 44 HG13 ILE 44 37.974 57.723 47.852 345 HG21 ILE 44 HG21 ILE 44 39.186 60.686 48.876 346 HG22 ILE 44 HG22 ILE 44 39.484 58.990 49.297 347 HG23 ILE 44 HG23 ILE 44 40.766 59.961 48.571 348 HD11 ILE 44 HD11 ILE 44 36.440 60.296 47.314 349 HD12 ILE 44 HD12 ILE 44 35.870 58.808 48.106 350 HD13 ILE 44 HD13 ILE 44 37.057 59.830 48.917 351 H LYS 45 H LYS 45 41.452 59.462 45.425 352 HA LYS 45 HA LYS 45 43.110 61.840 45.793 353 HB2 LYS 45 HB2 LYS 45 44.579 60.915 47.431 354 HB3 LYS 45 HB3 LYS 45 42.937 61.029 48.068 355 HG2 LYS 45 HG2 LYS 45 42.620 58.583 47.685 356 HG3 LYS 45 HG3 LYS 45 44.323 58.485 47.149 357 HD2 LYS 45 HD2 LYS 45 44.316 57.732 49.363 358 HD3 LYS 45 HD3 LYS 45 44.910 59.413 49.452 359 HE2 LYS 45 HE2 LYS 45 42.642 60.135 50.166 360 HE3 LYS 45 HE3 LYS 45 42.056 58.460 49.991 361 HZ1 LYS 45 HZ1 LYS 45 44.126 59.265 51.880 362 HZ2 LYS 45 HZ2 LYS 45 42.582 59.057 52.295 363 HZ3 LYS 45 HZ3 LYS 45 43.442 57.772 51.749 364 H VAL 46 H VAL 46 45.152 61.724 45.002 365 HA VAL 46 HA VAL 46 45.891 59.408 43.291 366 HB VAL 46 HB VAL 46 46.479 62.360 42.882 367 HG11 VAL 46 HG11 VAL 46 47.312 61.555 40.697 368 HG12 VAL 46 HG12 VAL 46 48.318 61.053 42.069 369 HG13 VAL 46 HG13 VAL 46 47.220 59.873 41.321 370 HG21 VAL 46 HG21 VAL 46 44.153 61.951 42.218 371 HG22 VAL 46 HG22 VAL 46 45.115 61.952 40.742 372 HG23 VAL 46 HG23 VAL 46 44.586 60.414 41.454 373 H LYS 47 H LYS 47 48.069 58.813 43.361 374 HA LYS 47 HA LYS 47 49.908 60.114 45.310 375 HB2 LYS 47 HB2 LYS 47 49.203 58.167 46.461 376 HB3 LYS 47 HB3 LYS 47 49.011 57.228 45.013 377 HG2 LYS 47 HG2 LYS 47 50.872 56.316 46.181 378 HG3 LYS 47 HG3 LYS 47 51.542 57.120 44.770 379 HD2 LYS 47 HD2 LYS 47 52.004 59.159 46.223 380 HD3 LYS 47 HD3 LYS 47 51.380 58.225 47.594 381 HE2 LYS 47 HE2 LYS 47 53.781 57.405 45.901 382 HE3 LYS 47 HE3 LYS 47 53.883 58.385 47.369 383 HZ1 LYS 47 HZ1 LYS 47 52.670 55.706 47.274 384 HZ2 LYS 47 HZ2 LYS 47 54.167 55.937 47.785 385 HZ3 LYS 47 HZ3 LYS 47 52.868 56.571 48.595 386 H ILE 48 H ILE 48 51.610 60.885 44.553 387 HA ILE 48 HA ILE 48 52.975 59.617 42.265 388 HB ILE 48 HB ILE 48 52.904 62.389 43.358 389 HG12 ILE 48 HG12 ILE 48 51.529 61.659 41.392 390 HG13 ILE 48 HG13 ILE 48 52.658 63.007 41.089 391 HG21 ILE 48 HG21 ILE 48 55.229 61.361 41.712 392 HG22 ILE 48 HG22 ILE 48 54.800 63.088 41.927 393 HG23 ILE 48 HG23 ILE 48 55.343 62.124 43.301 394 HD11 ILE 48 HD11 ILE 48 53.069 60.097 40.243 395 HD12 ILE 48 HD12 ILE 48 52.541 61.409 39.173 396 HD13 ILE 48 HD13 ILE 48 54.161 61.450 39.859 397 HA PRO 49 HA PRO 49 56.146 58.315 45.391 398 HB2 PRO 49 HB2 PRO 49 57.511 56.740 43.625 399 HB3 PRO 49 HB3 PRO 49 55.988 56.188 44.404 400 HG2 PRO 49 HG2 PRO 49 56.395 57.388 41.673 401 HG3 PRO 49 HG3 PRO 49 55.464 55.916 42.126 402 HD2 PRO 49 HD2 PRO 49 54.355 58.381 41.684 403 HD3 PRO 49 HD3 PRO 49 53.621 57.319 42.871 404 H LYS 50 H LYS 50 58.548 58.564 45.313 405 HA LYS 50 HA LYS 50 59.855 59.937 43.175 406 HB2 LYS 50 HB2 LYS 50 59.301 61.462 45.746 407 HB3 LYS 50 HB3 LYS 50 60.786 61.708 44.816 408 HG2 LYS 50 HG2 LYS 50 58.969 61.862 42.796 409 HG3 LYS 50 HG3 LYS 50 57.969 62.390 44.160 410 HD2 LYS 50 HD2 LYS 50 59.651 64.210 44.594 411 HD3 LYS 50 HD3 LYS 50 60.695 63.523 43.339 412 HE2 LYS 50 HE2 LYS 50 58.748 63.752 41.709 413 HE3 LYS 50 HE3 LYS 50 57.851 64.549 43.001 414 HZ1 LYS 50 HZ1 LYS 50 58.789 66.190 41.580 415 HZ2 LYS 50 HZ2 LYS 50 59.628 66.288 42.967 416 HZ3 LYS 50 HZ3 LYS 50 60.272 65.611 41.642 417 H ASP 51 H ASP 51 61.452 58.828 43.024 418 HA ASP 51 HA ASP 51 62.835 57.046 44.700 419 HB2 ASP 51 HB2 ASP 51 62.913 57.383 42.119 420 HB3 ASP 51 HB3 ASP 51 63.906 58.799 42.462 421 H LYS 52 H LYS 52 65.141 57.139 45.372 422 HA LYS 52 HA LYS 52 65.913 59.227 47.019 423 HB2 LYS 52 HB2 LYS 52 68.241 58.442 46.733 424 HB3 LYS 52 HB3 LYS 52 67.112 57.148 47.097 425 HG2 LYS 52 HG2 LYS 52 68.088 56.044 45.425 426 HG3 LYS 52 HG3 LYS 52 67.255 57.113 44.289 427 HD2 LYS 52 HD2 LYS 52 69.262 58.632 44.272 428 HD3 LYS 52 HD3 LYS 52 69.993 57.655 45.537 429 HE2 LYS 52 HE2 LYS 52 69.675 55.653 43.882 430 HE3 LYS 52 HE3 LYS 52 69.478 56.909 42.645 431 HZ1 LYS 52 HZ1 LYS 52 71.801 56.251 42.997 432 HZ2 LYS 52 HZ2 LYS 52 71.605 57.840 43.424 433 HZ3 LYS 52 HZ3 LYS 52 71.743 56.652 44.514 434 H ASP 53 H ASP 53 66.433 58.885 43.487 435 HA ASP 53 HA ASP 53 67.845 61.395 43.190 436 HB2 ASP 53 HB2 ASP 53 68.050 59.137 41.962 437 HB3 ASP 53 HB3 ASP 53 66.662 59.659 41.024 438 H GLY 54 H GLY 54 64.654 60.940 43.873 439 HA2 GLY 54 HA2 GLY 54 62.883 62.446 43.953 440 HA3 GLY 54 HA3 GLY 54 63.840 63.624 43.150 441 H LYS 55 H LYS 55 62.820 60.302 41.942 442 HA LYS 55 HA LYS 55 61.151 61.722 39.948 443 HB2 LYS 55 HB2 LYS 55 63.358 61.006 39.084 444 HB3 LYS 55 HB3 LYS 55 62.857 59.302 39.332 445 HG2 LYS 55 HG2 LYS 55 62.258 59.646 37.045 446 HG3 LYS 55 HG3 LYS 55 60.775 59.959 37.887 447 HD2 LYS 55 HD2 LYS 55 60.877 61.805 36.488 448 HD3 LYS 55 HD3 LYS 55 61.630 62.489 37.930 449 HE2 LYS 55 HE2 LYS 55 63.877 61.948 37.031 450 HE3 LYS 55 HE3 LYS 55 63.136 61.314 35.548 451 HZ1 LYS 55 HZ1 LYS 55 63.224 64.057 36.565 452 HZ2 LYS 55 HZ2 LYS 55 63.822 63.554 35.171 453 HZ3 LYS 55 HZ3 LYS 55 62.210 63.694 35.336 454 HA PRO 56 HA PRO 56 57.992 58.803 41.173 455 HB2 PRO 56 HB2 PRO 56 56.210 59.258 39.058 456 HB3 PRO 56 HB3 PRO 56 56.407 60.450 40.402 457 HG2 PRO 56 HG2 PRO 56 57.700 60.210 37.769 458 HG3 PRO 56 HG3 PRO 56 56.983 61.738 38.453 459 HD2 PRO 56 HD2 PRO 56 59.597 61.557 38.605 460 HD3 PRO 56 HD3 PRO 56 58.778 61.952 40.103 461 H LYS 57 H LYS 57 60.164 58.070 38.906 462 HA LYS 57 HA LYS 57 60.757 56.056 37.896 463 HB2 LYS 57 HB2 LYS 57 58.726 54.797 39.710 464 HB3 LYS 57 HB3 LYS 57 60.168 54.048 39.006 465 HG2 LYS 57 HG2 LYS 57 61.048 54.388 41.030 466 HG3 LYS 57 HG3 LYS 57 61.346 56.039 40.459 467 HD2 LYS 57 HD2 LYS 57 59.352 56.887 41.489 468 HD3 LYS 57 HD3 LYS 57 58.750 55.278 41.893 469 HE2 LYS 57 HE2 LYS 57 61.405 56.416 42.812 470 HE3 LYS 57 HE3 LYS 57 59.864 56.692 43.665 471 HZ1 LYS 57 HZ1 LYS 57 59.692 54.324 44.004 472 HZ2 LYS 57 HZ2 LYS 57 61.097 53.995 43.266 473 HZ3 LYS 57 HZ3 LYS 57 61.031 54.867 44.644 474 H GLN 58 H GLN 58 58.568 57.471 36.635 475 HA GLN 58 HA GLN 58 57.090 57.306 35.066 476 HB2 GLN 58 HB2 GLN 58 58.496 54.718 34.421 477 HB3 GLN 58 HB3 GLN 58 57.115 55.320 33.509 478 HG2 GLN 58 HG2 GLN 58 58.546 57.541 33.312 479 HG3 GLN 58 HG3 GLN 58 59.899 56.454 33.678 480 HE21 GLN 58 HE21 GLN 58 57.080 56.802 31.437 481 HE22 GLN 58 HE22 GLN 58 57.853 55.841 30.172 482 H PHE 59 H PHE 59 56.148 56.397 37.716 483 HA PHE 59 HA PHE 59 53.646 55.108 36.972 484 HB2 PHE 59 HB2 PHE 59 53.615 53.094 37.903 485 HB3 PHE 59 HB3 PHE 59 55.229 53.182 37.255 486 HD1 PHE 59 HD1 PHE 59 53.197 53.126 40.397 487 HD2 PHE 59 HD2 PHE 59 57.141 53.279 38.679 488 HE1 PHE 59 HE1 PHE 59 54.192 52.808 42.653 489 HE2 PHE 59 HE2 PHE 59 58.129 53.135 40.952 490 HZ PHE 59 HZ PHE 59 56.658 52.929 42.939 491 H ALA 60 H ALA 60 52.115 54.845 38.880 492 HA ALA 60 HA ALA 60 52.333 56.547 41.250 493 HB1 ALA 60 HB1 ALA 60 50.708 57.273 38.792 494 HB2 ALA 60 HB2 ALA 60 50.589 58.126 40.336 495 HB3 ALA 60 HB3 ALA 60 52.110 58.202 39.409 496 H PHE 61 H PHE 61 49.958 56.863 42.127 497 HA PHE 61 HA PHE 61 48.117 54.576 41.515 498 HB2 PHE 61 HB2 PHE 61 49.509 55.322 44.044 499 HB3 PHE 61 HB3 PHE 61 47.868 54.791 44.242 500 HD1 PHE 61 HD2 PHE 61 51.268 53.949 43.117 501 HD2 PHE 61 HD1 PHE 61 47.323 52.312 43.724 502 HE1 PHE 61 HE2 PHE 61 52.168 51.662 42.889 503 HE2 PHE 61 HE1 PHE 61 48.275 50.022 43.636 504 HZ PHE 61 HZ PHE 61 50.740 49.706 43.387 505 H VAL 62 H VAL 62 45.925 54.734 42.323 506 HA VAL 62 HA VAL 62 44.832 57.431 42.769 507 HB VAL 62 HB VAL 62 43.889 55.838 40.315 508 HG11 VAL 62 HG11 VAL 62 42.802 58.314 41.708 509 HG12 VAL 62 HG12 VAL 62 42.481 57.993 39.999 510 HG13 VAL 62 HG13 VAL 62 41.917 56.854 41.205 511 HG21 VAL 62 HG21 VAL 62 45.966 57.035 39.937 512 HG22 VAL 62 HG22 VAL 62 44.600 57.735 39.054 513 HG23 VAL 62 HG23 VAL 62 45.219 58.546 40.527 514 H ASN 63 H ASN 63 43.186 57.358 44.209 515 HA ASN 63 HA ASN 63 41.876 54.753 44.857 516 HB2 ASN 63 HB2 ASN 63 43.207 56.359 46.625 517 HB3 ASN 63 HB3 ASN 63 41.701 57.229 46.530 518 HD21 ASN 63 HD22 ASN 63 42.994 53.907 47.398 519 HD22 ASN 63 HD21 ASN 63 41.526 53.472 48.195 520 H PHE 64 H PHE 64 39.677 54.480 44.990 521 HA PHE 64 HA PHE 64 37.825 56.709 44.377 522 HB2 PHE 64 HB2 PHE 64 37.062 55.942 42.320 523 HB3 PHE 64 HB3 PHE 64 38.801 56.127 42.182 524 HD1 PHE 64 HD2 PHE 64 40.156 53.788 42.702 525 HD2 PHE 64 HD1 PHE 64 36.070 54.106 41.338 526 HE1 PHE 64 HE2 PHE 64 40.210 51.429 41.956 527 HE2 PHE 64 HE1 PHE 64 36.140 51.724 40.622 528 HZ PHE 64 HZ PHE 64 38.167 50.393 40.961 529 H LYS 65 H LYS 65 38.115 53.405 45.650 530 HA LYS 65 HA LYS 65 35.189 53.299 46.050 531 HB2 LYS 65 HB2 LYS 65 35.928 52.522 43.621 532 HB3 LYS 65 HB3 LYS 65 36.459 51.063 44.461 533 HG2 LYS 65 HG2 LYS 65 34.092 50.737 45.243 534 HG3 LYS 65 HG3 LYS 65 33.603 52.101 44.207 535 HD2 LYS 65 HD2 LYS 65 34.371 50.995 42.203 536 HD3 LYS 65 HD3 LYS 65 35.179 49.755 43.126 537 HE2 LYS 65 HE2 LYS 65 33.240 48.701 42.347 538 HE3 LYS 65 HE3 LYS 65 32.857 49.052 44.020 539 HZ1 LYS 65 HZ1 LYS 65 31.985 50.455 41.581 540 HZ2 LYS 65 HZ2 LYS 65 31.018 49.710 42.561 541 HZ3 LYS 65 HZ3 LYS 65 31.672 51.122 43.038 542 H HIS 66 H HIS 66 34.382 51.849 47.488 543 HA HIS 66 HA HIS 66 36.281 50.961 49.449 544 HB2 HIS 66 HB2 HIS 66 33.272 50.725 49.245 545 HB3 HIS 66 HB3 HIS 66 34.182 49.964 50.551 546 HD2 HIS 66 HD2 HIS 66 35.325 51.615 52.396 547 HE1 HIS 66 HE1 HIS 66 32.845 54.926 51.440 548 HE2 HIS 66 HE2 HIS 66 34.378 53.936 53.175 549 H GLU 67 H GLU 67 34.614 49.004 46.897 550 HA GLU 67 HA GLU 67 36.818 47.090 47.322 551 HB2 GLU 67 HB2 GLU 67 34.684 46.140 48.379 552 HB3 GLU 67 HB3 GLU 67 34.054 46.045 46.716 553 HG2 GLU 67 HG2 GLU 67 36.043 44.620 46.104 554 HG3 GLU 67 HG3 GLU 67 36.519 44.601 47.780 555 H VAL 68 H VAL 68 37.586 46.371 45.312 556 HA VAL 68 HA VAL 68 36.563 47.912 42.983 557 HB VAL 68 HB VAL 68 39.321 47.033 43.835 558 HG11 VAL 68 HG11 VAL 68 38.611 48.153 41.087 559 HG12 VAL 68 HG12 VAL 68 40.251 48.002 41.756 560 HG13 VAL 68 HG13 VAL 68 39.295 46.562 41.457 561 HG21 VAL 68 HG21 VAL 68 38.389 49.230 44.720 562 HG22 VAL 68 HG22 VAL 68 39.904 49.334 43.820 563 HG23 VAL 68 HG23 VAL 68 38.373 49.819 43.061 564 H SER 69 H SER 69 36.177 47.002 41.083 565 HA SER 69 HA SER 69 36.767 44.115 40.485 566 HB2 SER 69 HB2 SER 69 34.517 44.257 39.185 567 HB3 SER 69 HB3 SER 69 34.407 44.216 40.956 568 HG SER 69 HG SER 69 33.144 45.858 40.239 569 H VAL 70 H VAL 70 36.482 47.370 39.314 570 HA VAL 70 HA VAL 70 37.933 46.723 36.952 571 HB VAL 70 HB VAL 70 35.876 46.087 35.955 572 HG11 VAL 70 HG11 VAL 70 34.163 46.744 37.484 573 HG12 VAL 70 HG12 VAL 70 34.544 48.468 37.280 574 HG13 VAL 70 HG13 VAL 70 33.784 47.521 35.977 575 HG21 VAL 70 HG21 VAL 70 36.086 49.003 35.061 576 HG22 VAL 70 HG22 VAL 70 37.034 47.650 34.402 577 HG23 VAL 70 HG23 VAL 70 35.298 47.696 34.200 578 HA PRO 71 HA PRO 71 38.613 51.138 37.472 579 HB2 PRO 71 HB2 PRO 71 40.858 51.251 35.901 580 HB3 PRO 71 HB3 PRO 71 40.754 50.518 37.537 581 HG2 PRO 71 HG2 PRO 71 41.202 49.066 34.972 582 HG3 PRO 71 HG3 PRO 71 41.260 48.491 36.666 583 HD2 PRO 71 HD2 PRO 71 39.034 48.543 34.686 584 HD3 PRO 71 HD3 PRO 71 39.396 47.379 35.965 585 H TYR 72 H TYR 72 37.275 52.628 36.558 586 HA TYR 72 HA TYR 72 36.196 52.766 34.036 587 HB2 TYR 72 HB2 TYR 72 35.982 54.215 36.311 588 HB3 TYR 72 HB3 TYR 72 37.121 55.262 35.527 589 HD1 TYR 72 HD1 TYR 72 36.567 56.388 33.387 590 HD2 TYR 72 HD2 TYR 72 33.736 53.914 35.475 591 HE1 TYR 72 HE1 TYR 72 34.687 57.705 32.379 592 HE2 TYR 72 HE2 TYR 72 31.853 55.176 34.423 593 HH TYR 72 HH TYR 72 32.331 57.863 32.341 594 H ALA 73 H ALA 73 39.321 54.073 35.025 595 HA ALA 73 HA ALA 73 39.688 55.660 32.669 596 HB1 ALA 73 HB1 ALA 73 41.621 54.660 34.828 597 HB2 ALA 73 HB2 ALA 73 42.088 55.738 33.532 598 HB3 ALA 73 HB3 ALA 73 40.863 56.283 34.721 599 H MET 74 H MET 74 40.139 52.254 33.359 600 HA MET 74 HA MET 74 42.221 51.988 31.411 601 HB2 MET 74 HB2 MET 74 41.684 50.558 33.486 602 HB3 MET 74 HB3 MET 74 40.555 49.670 32.450 603 HG2 MET 74 HG2 MET 74 42.729 49.751 30.807 604 HG3 MET 74 HG3 MET 74 43.535 49.998 32.353 605 HE1 MET 74 HE1 MET 74 40.977 46.276 31.371 606 HE2 MET 74 HE2 MET 74 40.554 47.964 31.008 607 HE3 MET 74 HE3 MET 74 41.757 47.118 30.016 608 H ASN 75 H ASN 75 38.768 52.069 31.260 609 HA ASN 75 HA ASN 75 38.690 51.269 28.394 610 HB2 ASN 75 HB2 ASN 75 36.936 50.518 29.841 611 HB3 ASN 75 HB3 ASN 75 36.604 52.172 30.412 612 HD21 ASN 75 HD22 ASN 75 35.081 53.352 29.371 613 HD22 ASN 75 HD21 ASN 75 34.550 52.994 27.744 614 H LEU 76 H LEU 76 38.671 54.144 30.464 615 HA LEU 76 HA LEU 76 37.911 55.882 28.338 616 HB2 LEU 76 HB2 LEU 76 37.547 56.158 30.898 617 HB3 LEU 76 HB3 LEU 76 39.226 56.731 30.897 618 HG LEU 76 HG LEU 76 38.474 58.347 29.002 619 HD11 LEU 76 HD11 LEU 76 36.298 57.870 28.387 620 HD12 LEU 76 HD12 LEU 76 35.762 57.527 30.061 621 HD13 LEU 76 HD13 LEU 76 36.077 59.185 29.539 622 HD21 LEU 76 HD21 LEU 76 37.914 60.019 30.538 623 HD22 LEU 76 HD22 LEU 76 37.407 58.856 31.796 624 HD23 LEU 76 HD23 LEU 76 39.124 58.983 31.325 625 H LEU 77 H LEU 77 41.143 55.513 29.975 626 HA LEU 77 HA LEU 77 42.265 57.458 28.029 627 HB2 LEU 77 HB2 LEU 77 43.537 56.531 30.639 628 HB3 LEU 77 HB3 LEU 77 44.113 57.737 29.517 629 HG LEU 77 HG LEU 77 43.320 59.120 31.091 630 HD11 LEU 77 HD11 LEU 77 41.190 60.102 30.547 631 HD12 LEU 77 HD12 LEU 77 41.975 59.613 29.036 632 HD13 LEU 77 HD13 LEU 77 40.655 58.638 29.693 633 HD21 LEU 77 HD21 LEU 77 41.111 57.246 31.890 634 HD22 LEU 77 HD22 LEU 77 42.704 57.537 32.678 635 HD23 LEU 77 HD23 LEU 77 41.518 58.821 32.621 636 H ASN 78 H ASN 78 44.198 55.023 29.658 637 HA ASN 78 HA ASN 78 45.845 53.632 28.756 638 HB2 ASN 78 HB2 ASN 78 44.107 52.237 29.250 639 HB3 ASN 78 HB3 ASN 78 43.051 52.833 27.991 640 HD21 ASN 78 HD22 ASN 78 46.245 51.285 28.340 641 HD22 ASN 78 HD21 ASN 78 46.034 50.128 27.042 642 H GLY 79 H GLY 79 46.839 55.536 27.507 643 HA2 GLY 79 HA2 GLY 79 48.270 55.107 25.434 644 HA3 GLY 79 HA3 GLY 79 46.782 54.982 24.535 645 H ILE 80 H ILE 80 46.821 57.467 26.982 646 HA ILE 80 HA ILE 80 46.783 59.540 24.819 647 HB ILE 80 HB ILE 80 44.905 60.548 25.761 648 HG12 ILE 80 HG12 ILE 80 43.845 58.938 27.773 649 HG13 ILE 80 HG13 ILE 80 45.586 59.084 28.177 650 HG21 ILE 80 HG21 ILE 80 44.500 57.524 25.658 651 HG22 ILE 80 HG22 ILE 80 43.218 58.728 25.479 652 HG23 ILE 80 HG23 ILE 80 44.521 58.637 24.271 653 HD11 ILE 80 HD11 ILE 80 43.652 61.337 27.509 654 HD12 ILE 80 HD12 ILE 80 44.165 60.880 29.149 655 HD13 ILE 80 HD13 ILE 80 45.355 61.541 27.976 656 H LYS 81 H LYS 81 47.442 61.643 25.326 657 HA LYS 81 HA LYS 81 48.424 62.336 27.919 658 HB2 LYS 81 HB2 LYS 81 50.920 62.570 26.985 659 HB3 LYS 81 HB3 LYS 81 50.348 61.096 27.704 660 HG2 LYS 81 HG2 LYS 81 51.560 60.552 25.656 661 HG3 LYS 81 HG3 LYS 81 49.858 60.169 25.431 662 HD2 LYS 81 HD2 LYS 81 49.548 62.220 24.095 663 HD3 LYS 81 HD3 LYS 81 51.228 62.698 24.465 664 HE2 LYS 81 HE2 LYS 81 51.953 60.490 23.384 665 HE3 LYS 81 HE3 LYS 81 50.260 60.153 23.060 666 HZ1 LYS 81 HZ1 LYS 81 51.913 62.256 21.857 667 HZ2 LYS 81 HZ2 LYS 81 51.096 61.059 21.132 668 HZ3 LYS 81 HZ3 LYS 81 50.266 62.304 21.781 669 H LEU 82 H LEU 82 49.824 64.178 27.929 670 HA LEU 82 HA LEU 82 49.266 66.253 25.835 671 HB2 LEU 82 HB2 LEU 82 49.001 66.541 28.846 672 HB3 LEU 82 HB3 LEU 82 48.900 67.862 27.682 673 HG LEU 82 HG LEU 82 46.988 65.493 27.830 674 HD11 LEU 82 HD11 LEU 82 46.867 66.965 29.791 675 HD12 LEU 82 HD12 LEU 82 46.689 68.387 28.732 676 HD13 LEU 82 HD13 LEU 82 45.420 67.138 28.777 677 HD21 LEU 82 HD21 LEU 82 46.991 66.347 25.558 678 HD22 LEU 82 HD22 LEU 82 45.522 66.878 26.371 679 HD23 LEU 82 HD23 LEU 82 46.850 68.028 26.133 680 H TYR 83 H TYR 83 51.553 64.799 28.054 681 HA TYR 83 HA TYR 83 53.561 66.942 27.524 682 HB2 TYR 83 HB2 TYR 83 53.423 64.608 29.432 683 HB3 TYR 83 HB3 TYR 83 54.878 65.598 29.187 684 HD1 TYR 83 HD1 TYR 83 51.656 67.424 29.308 685 HD2 TYR 83 HD2 TYR 83 54.903 65.719 31.605 686 HE1 TYR 83 HE1 TYR 83 50.985 68.758 31.268 687 HE2 TYR 83 HE2 TYR 83 54.037 66.848 33.649 688 HH TYR 83 HH TYR 83 51.434 69.215 33.384 689 H GLY 84 H GLY 84 53.192 63.349 27.249 690 HA2 GLY 84 HA2 GLY 84 54.067 63.202 24.607 691 HA3 GLY 84 HA3 GLY 84 55.545 63.098 25.547 692 H ARG 85 H ARG 85 54.541 61.563 27.748 693 HA ARG 85 HA ARG 85 54.524 58.849 26.496 694 HB2 ARG 85 HB2 ARG 85 55.204 59.653 29.321 695 HB3 ARG 85 HB3 ARG 85 55.056 58.023 28.702 696 HG2 ARG 85 HG2 ARG 85 57.323 58.280 28.417 697 HG3 ARG 85 HG3 ARG 85 56.726 58.750 26.823 698 HD2 ARG 85 HD2 ARG 85 56.936 61.138 27.504 699 HD3 ARG 85 HD3 ARG 85 57.641 60.566 29.052 700 HE ARG 85 HE ARG 85 59.169 59.409 26.958 701 HH11 ARG 85 HH11 ARG 85 58.590 62.769 27.905 702 HH12 ARG 85 HH12 ARG 85 60.262 63.190 27.601 703 HH21 ARG 85 HH21 ARG 85 61.004 60.333 25.990 704 HH22 ARG 85 HH22 ARG 85 61.477 61.906 26.545 705 HA PRO 86 HA PRO 86 50.085 58.959 27.198 706 HB2 PRO 86 HB2 PRO 86 49.558 56.477 26.238 707 HB3 PRO 86 HB3 PRO 86 49.835 57.900 25.157 708 HG2 PRO 86 HG2 PRO 86 51.813 55.785 26.069 709 HG3 PRO 86 HG3 PRO 86 51.521 56.346 24.386 710 HD2 PRO 86 HD2 PRO 86 53.550 57.219 25.877 711 HD3 PRO 86 HD3 PRO 86 52.670 58.454 24.950 712 H ILE 87 H ILE 87 48.993 58.526 28.941 713 HA ILE 87 HA ILE 87 50.016 56.835 30.990 714 HB ILE 87 HB ILE 87 47.592 58.520 30.607 715 HG12 ILE 87 HG12 ILE 87 49.624 59.396 31.586 716 HG13 ILE 87 HG13 ILE 87 48.215 59.534 32.629 717 HG21 ILE 87 HG21 ILE 87 47.489 56.085 32.382 718 HG22 ILE 87 HG22 ILE 87 46.697 57.589 32.877 719 HG23 ILE 87 HG23 ILE 87 46.296 56.809 31.317 720 HD11 ILE 87 HD11 ILE 87 50.531 58.844 33.618 721 HD12 ILE 87 HD12 ILE 87 49.046 58.079 34.216 722 HD13 ILE 87 HD13 ILE 87 50.101 57.218 33.063 723 H LYS 88 H LYS 88 49.983 54.846 31.327 724 HA LYS 88 HA LYS 88 48.073 52.945 30.075 725 HB2 LYS 88 HB2 LYS 88 50.434 52.609 29.517 726 HB3 LYS 88 HB3 LYS 88 50.858 52.625 31.245 727 HG2 LYS 88 HG2 LYS 88 50.919 50.406 30.319 728 HG3 LYS 88 HG3 LYS 88 49.739 50.521 31.616 729 HD2 LYS 88 HD2 LYS 88 47.910 50.712 29.858 730 HD3 LYS 88 HD3 LYS 88 49.182 50.606 28.615 731 HE2 LYS 88 HE2 LYS 88 49.890 48.423 29.547 732 HE3 LYS 88 HE3 LYS 88 48.540 48.488 30.720 733 HZ1 LYS 88 HZ1 LYS 88 47.043 48.063 29.083 734 HZ2 LYS 88 HZ2 LYS 88 48.028 48.515 27.837 735 HZ3 LYS 88 HZ3 LYS 88 48.316 47.156 28.632 736 H ILE 89 H ILE 89 46.528 52.256 31.404 737 HA ILE 89 HA ILE 89 46.933 52.376 34.358 738 HB ILE 89 HB ILE 89 44.381 52.076 32.750 739 HG12 ILE 89 HG12 ILE 89 43.994 54.229 34.361 740 HG13 ILE 89 HG13 ILE 89 45.740 54.315 34.294 741 HG21 ILE 89 HG21 ILE 89 44.811 52.206 35.753 742 HG22 ILE 89 HG22 ILE 89 43.240 52.096 34.913 743 HG23 ILE 89 HG23 ILE 89 44.351 50.730 34.877 744 HD11 ILE 89 HD11 ILE 89 43.892 54.271 31.868 745 HD12 ILE 89 HD12 ILE 89 44.572 55.730 32.610 746 HD13 ILE 89 HD13 ILE 89 45.657 54.540 31.851 747 H GLN 90 H GLN 90 46.857 50.558 35.655 748 HA GLN 90 HA GLN 90 46.499 47.929 34.368 749 HB2 GLN 90 HB2 GLN 90 48.817 48.446 36.250 750 HB3 GLN 90 HB3 GLN 90 48.400 46.952 35.445 751 HG2 GLN 90 HG2 GLN 90 48.911 48.000 33.206 752 HG3 GLN 90 HG3 GLN 90 49.373 49.470 34.010 753 HE21 GLN 90 HE22 GLN 90 51.292 47.963 32.361 754 HE22 GLN 90 HE21 GLN 90 52.436 47.238 33.452 755 H PHE 91 H PHE 91 46.437 46.291 36.184 756 HA PHE 91 HA PHE 91 45.357 45.297 37.827 757 HB2 PHE 91 HB2 PHE 91 46.260 46.851 39.421 758 HB3 PHE 91 HB3 PHE 91 45.043 48.050 39.069 759 HD1 PHE 91 HD2 PHE 91 45.084 44.446 40.309 760 HD2 PHE 91 HD1 PHE 91 43.562 48.465 40.764 761 HE1 PHE 91 HE2 PHE 91 43.729 43.741 42.267 762 HE2 PHE 91 HE1 PHE 91 42.217 47.730 42.700 763 HZ PHE 91 HZ PHE 91 42.261 45.344 43.417 764 H ARG 92 H ARG 92 43.265 44.650 38.454 765 HA ARG 92 HA ARG 92 40.890 45.987 37.355 766 HB2 ARG 92 HB2 ARG 92 41.604 44.509 35.464 767 HB3 ARG 92 HB3 ARG 92 41.756 43.152 36.551 768 HG2 ARG 92 HG2 ARG 92 39.120 43.512 36.880 769 HG3 ARG 92 HG3 ARG 92 39.304 44.472 35.406 770 HD2 ARG 92 HD2 ARG 92 38.625 42.237 34.856 771 HD3 ARG 92 HD3 ARG 92 40.205 42.604 34.178 772 HE ARG 92 HE ARG 92 39.687 40.794 36.553 773 HH11 ARG 92 HH11 ARG 92 41.708 41.536 33.694 774 HH12 ARG 92 HH12 ARG 92 42.416 39.936 33.784 775 HH21 ARG 92 HH21 ARG 92 40.715 38.956 36.545 776 HH22 ARG 92 HH22 ARG 92 41.795 38.533 35.211 777 H SER 93 H SER 93 41.680 42.775 38.714 778 HA SER 93 HA SER 93 40.192 43.323 41.232 779 HB2 SER 93 HB2 SER 93 38.506 42.777 39.586 780 HB3 SER 93 HB3 SER 93 39.386 41.339 39.109 781 HG SER 93 HG SER 93 38.424 40.373 40.703 782 H GLY 94 H GLY 94 40.585 41.508 42.814 783 HA2 GLY 94 HA2 GLY 94 43.043 39.961 42.500 784 HA3 GLY 94 HA3 GLY 94 41.901 39.898 43.833 785 H SER 95 H SER 95 42.983 37.487 42.658 786 HA SER 95 HA SER 95 40.554 36.243 41.397 787 HB2 SER 95 HB2 SER 95 43.422 35.863 40.545 788 HB3 SER 95 HB3 SER 95 41.998 35.117 39.815 789 HG SER 95 HG SER 95 42.647 36.971 38.767 790 H SER 96 H SER 96 40.500 33.928 41.331 791 HA SER 96 HA SER 96 41.542 32.214 43.375 792 HB2 SER 96 HB2 SER 96 40.581 30.452 41.914 793 HB3 SER 96 HB3 SER 96 39.497 31.847 41.952 794 HG SER 96 HG SER 96 39.895 31.231 39.847 795 H HIS 97 H HIS 97 42.869 30.285 43.027 796 HA HIS 97 HA HIS 97 44.850 30.364 40.893 797 HB2 HIS 97 HB2 HIS 97 45.693 31.784 42.860 798 HB3 HIS 97 HB3 HIS 97 45.787 30.278 43.770 799 HD2 HIS 97 HD2 HIS 97 46.908 31.602 40.235 800 HE1 HIS 97 HE1 HIS 97 50.072 29.173 41.641 801 HE2 HIS 97 HE2 HIS 97 49.246 30.618 39.735 802 H ALA 98 H ALA 98 45.302 28.548 40.265 803 HA ALA 98 HA ALA 98 45.593 26.444 39.841 804 HB1 ALA 98 HB1 ALA 98 46.337 26.342 42.775 805 HB2 ALA 98 HB2 ALA 98 46.800 25.119 41.569 806 HB3 ALA 98 HB3 ALA 98 47.373 26.781 41.402 807 HA PRO 99 HA PRO 99 42.082 24.150 40.127 808 HB2 PRO 99 HB2 PRO 99 42.691 21.716 39.110 809 HB3 PRO 99 HB3 PRO 99 42.945 23.243 38.194 810 HG2 PRO 99 HG2 PRO 99 45.016 21.772 39.811 811 HG3 PRO 99 HG3 PRO 99 45.083 22.291 38.077 812 HD2 PRO 99 HD2 PRO 99 46.132 23.901 39.965 813 HD3 PRO 99 HD3 PRO 99 45.108 24.573 38.635 814 H GLN 100 H GLN 100 41.001 21.991 40.922 815 HA GLN 100 HA GLN 100 41.158 22.046 43.738 816 HB2 GLN 100 HB2 GLN 100 39.183 21.639 42.134 817 HB3 GLN 100 HB3 GLN 100 39.762 19.980 42.006 818 HG2 GLN 100 HG2 GLN 100 39.573 19.859 44.546 819 HG3 GLN 100 HG3 GLN 100 38.852 21.470 44.503 820 HE21 GLN 100 HE22 GLN 100 37.216 19.616 45.666 821 HE22 GLN 100 HE21 GLN 100 36.046 18.979 44.501 822 H ASP 101 H ASP 101 42.483 19.718 41.436 823 HA ASP 101 HA ASP 101 43.852 18.171 43.593 824 HB2 ASP 101 HB2 ASP 101 41.691 16.997 42.924 825 HB3 ASP 101 HB3 ASP 101 42.403 16.786 41.336 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 35.321 9.794 45.680 2 H2 GLY 1 H2 GLY 1 36.073 8.872 44.619 3 H3 GLY 1 H3 GLY 1 35.471 10.373 44.158 4 HA2 GLY 1 HA2 GLY 1 37.462 10.022 46.257 5 HA3 GLY 1 HA3 GLY 1 37.976 10.329 44.576 6 H SER 2 H SER 2 37.879 11.839 47.245 7 HA SER 2 HA SER 2 36.379 14.236 46.654 8 HB2 SER 2 HB2 SER 2 37.300 14.981 48.800 9 HB3 SER 2 HB3 SER 2 36.644 13.338 48.945 10 HG SER 2 HG SER 2 38.802 13.744 49.799 11 H GLU 3 H GLU 3 37.440 16.304 47.252 12 HA GLU 3 HA GLU 3 39.404 17.248 45.438 13 HB2 GLU 3 HB2 GLU 3 38.230 18.536 47.960 14 HB3 GLU 3 HB3 GLU 3 38.968 19.371 46.604 15 HG2 GLU 3 HG2 GLU 3 36.840 19.657 45.932 16 HG3 GLU 3 HG3 GLU 3 36.942 18.011 45.332 17 H PHE 4 H PHE 4 41.578 17.237 45.678 18 HA PHE 4 HA PHE 4 42.895 16.442 48.227 19 HB2 PHE 4 HB2 PHE 4 43.162 15.103 46.231 20 HB3 PHE 4 HB3 PHE 4 43.889 16.437 45.355 21 HD1 PHE 4 HD1 PHE 4 46.221 17.263 45.998 22 HD2 PHE 4 HD2 PHE 4 44.410 13.795 47.831 23 HE1 PHE 4 HE1 PHE 4 48.422 16.570 46.906 24 HE2 PHE 4 HE2 PHE 4 46.626 13.130 48.721 25 HZ PHE 4 HZ PHE 4 48.587 14.634 48.418 26 H GLU 5 H GLU 5 42.639 19.194 46.111 27 HA GLU 5 HA GLU 5 45.197 20.337 47.062 28 HB2 GLU 5 HB2 GLU 5 43.630 20.549 44.452 29 HB3 GLU 5 HB3 GLU 5 44.912 21.689 44.837 30 HG2 GLU 5 HG2 GLU 5 46.472 19.865 45.280 31 HG3 GLU 5 HG3 GLU 5 45.233 18.665 44.859 32 H LEU 6 H LEU 6 41.970 20.999 47.659 33 HA LEU 6 HA LEU 6 42.008 23.845 47.603 34 HB2 LEU 6 HB2 LEU 6 40.485 21.922 49.398 35 HB3 LEU 6 HB3 LEU 6 40.073 23.630 49.149 36 HG LEU 6 HG LEU 6 39.945 21.371 47.094 37 HD11 LEU 6 HD11 LEU 6 37.692 22.893 48.442 38 HD12 LEU 6 HD12 LEU 6 37.543 21.631 47.198 39 HD13 LEU 6 HD13 LEU 6 38.186 21.227 48.810 40 HD21 LEU 6 HD21 LEU 6 40.368 23.688 46.093 41 HD22 LEU 6 HD22 LEU 6 38.827 22.969 45.605 42 HD23 LEU 6 HD23 LEU 6 38.851 24.205 46.879 43 H ARG 7 H ARG 7 42.647 25.399 48.978 44 HA ARG 7 HA ARG 7 44.605 25.142 50.971 45 HB2 ARG 7 HB2 ARG 7 42.602 27.347 50.526 46 HB3 ARG 7 HB3 ARG 7 44.011 27.420 51.582 47 HG2 ARG 7 HG2 ARG 7 44.782 28.467 49.758 48 HG3 ARG 7 HG3 ARG 7 45.472 26.881 49.543 49 HD2 ARG 7 HD2 ARG 7 42.819 27.571 48.240 50 HD3 ARG 7 HD3 ARG 7 44.333 28.280 47.600 51 HE ARG 7 HE ARG 7 44.837 25.553 47.694 52 HH11 ARG 7 HH11 ARG 7 42.239 27.320 46.123 53 HH12 ARG 7 HH12 ARG 7 42.386 26.411 44.671 54 HH21 ARG 7 HH21 ARG 7 45.128 24.619 45.648 55 HH22 ARG 7 HH22 ARG 7 44.065 25.037 44.365 56 H ARG 8 H ARG 8 44.444 25.654 53.245 57 HA ARG 8 HA ARG 8 42.320 24.251 54.722 58 HB2 ARG 8 HB2 ARG 8 44.818 25.580 55.841 59 HB3 ARG 8 HB3 ARG 8 43.700 24.504 56.663 60 HG2 ARG 8 HG2 ARG 8 44.359 22.599 55.432 61 HG3 ARG 8 HG3 ARG 8 45.337 23.506 54.294 62 HD2 ARG 8 HD2 ARG 8 45.864 23.270 57.294 63 HD3 ARG 8 HD3 ARG 8 46.648 22.288 56.083 64 HE ARG 8 HE ARG 8 47.598 24.464 55.105 65 HH11 ARG 8 HH11 ARG 8 46.602 24.463 58.412 66 HH12 ARG 8 HH12 ARG 8 48.110 25.148 58.987 67 HH21 ARG 8 HH21 ARG 8 49.526 25.328 55.834 68 HH22 ARG 8 HH22 ARG 8 49.843 25.461 57.532 69 H GLN 9 H GLN 9 43.623 27.603 54.451 70 HA GLN 9 HA GLN 9 41.391 28.933 55.787 71 HB2 GLN 9 HB2 GLN 9 42.977 30.024 53.447 72 HB3 GLN 9 HB3 GLN 9 41.928 30.897 54.556 73 HG2 GLN 9 HG2 GLN 9 43.419 30.540 56.421 74 HG3 GLN 9 HG3 GLN 9 44.411 29.417 55.469 75 HE21 GLN 9 HE22 GLN 9 45.086 32.064 56.860 76 HE22 GLN 9 HE21 GLN 9 45.873 32.996 55.601 77 H GLN 10 H GLN 10 39.387 29.495 54.884 78 HA GLN 10 HA GLN 10 38.485 27.808 52.689 79 HB2 GLN 10 HB2 GLN 10 36.259 28.747 53.328 80 HB3 GLN 10 HB3 GLN 10 37.162 28.181 54.751 81 HG2 GLN 10 HG2 GLN 10 37.868 30.548 55.209 82 HG3 GLN 10 HG3 GLN 10 36.866 31.070 53.854 83 HE21 GLN 10 HE22 GLN 10 35.466 32.327 55.099 84 HE22 GLN 10 HE21 GLN 10 34.428 31.665 56.330 85 H ALA 11 H ALA 11 39.844 30.868 52.692 86 HA ALA 11 HA ALA 11 38.946 31.588 50.010 87 HB1 ALA 11 HB1 ALA 11 37.891 33.724 50.895 88 HB2 ALA 11 HB2 ALA 11 36.979 32.242 51.269 89 HB3 ALA 11 HB3 ALA 11 37.959 32.996 52.528 90 H LEU 12 H LEU 12 39.802 33.710 49.363 91 HA LEU 12 HA LEU 12 42.484 34.234 50.498 92 HB2 LEU 12 HB2 LEU 12 43.102 35.055 48.401 93 HB3 LEU 12 HB3 LEU 12 42.186 33.609 48.123 94 HG LEU 12 HG LEU 12 40.157 35.382 47.779 95 HD11 LEU 12 HD11 LEU 12 41.157 37.515 48.126 96 HD12 LEU 12 HD12 LEU 12 42.715 36.980 47.434 97 HD13 LEU 12 HD13 LEU 12 41.332 37.331 46.390 98 HD21 LEU 12 HD21 LEU 12 41.004 33.778 46.102 99 HD22 LEU 12 HD22 LEU 12 40.640 35.339 45.366 100 HD23 LEU 12 HD23 LEU 12 42.326 34.910 45.696 101 H ALA 13 H ALA 13 42.919 36.098 51.530 102 HA ALA 13 HA ALA 13 40.726 38.028 51.934 103 HB1 ALA 13 HB1 ALA 13 43.249 37.425 53.491 104 HB2 ALA 13 HB2 ALA 13 41.891 38.447 54.040 105 HB3 ALA 13 HB3 ALA 13 41.650 36.704 53.769 106 H GLU 14 H GLU 14 43.025 38.122 49.710 107 HA GLU 14 HA GLU 14 44.586 40.442 50.146 108 HB2 GLU 14 HB2 GLU 14 44.964 38.620 48.438 109 HB3 GLU 14 HB3 GLU 14 43.622 39.264 47.506 110 HG2 GLU 14 HG2 GLU 14 45.587 40.022 46.491 111 HG3 GLU 14 HG3 GLU 14 44.846 41.412 47.244 112 H ALA 15 H ALA 15 44.146 42.585 50.066 113 HA ALA 15 HA ALA 15 41.511 43.531 49.008 114 HB1 ALA 15 HB1 ALA 15 41.790 43.376 51.584 115 HB2 ALA 15 HB2 ALA 15 42.849 44.800 51.386 116 HB3 ALA 15 HB3 ALA 15 41.166 44.870 50.875 117 H ASP 16 H ASP 16 41.572 45.598 48.039 118 HA ASP 16 HA ASP 16 43.941 47.268 48.403 119 HB2 ASP 16 HB2 ASP 16 43.986 45.779 46.141 120 HB3 ASP 16 HB3 ASP 16 42.962 47.093 45.585 121 H ARG 17 H ARG 17 43.483 49.517 47.701 122 HA ARG 17 HA ARG 17 40.610 50.248 47.313 123 HB2 ARG 17 HB2 ARG 17 41.879 50.861 49.631 124 HB3 ARG 17 HB3 ARG 17 42.642 52.084 48.646 125 HG2 ARG 17 HG2 ARG 17 40.704 52.893 49.924 126 HG3 ARG 17 HG3 ARG 17 40.588 53.197 48.196 127 HD2 ARG 17 HD2 ARG 17 38.474 52.585 49.106 128 HD3 ARG 17 HD3 ARG 17 38.963 51.365 47.939 129 HE ARG 17 HE ARG 17 39.805 50.172 50.243 130 HH11 ARG 17 HH11 ARG 17 36.789 51.634 49.301 131 HH12 ARG 17 HH12 ARG 17 35.975 51.235 50.829 132 HH21 ARG 17 HH21 ARG 17 38.535 49.632 52.229 133 HH22 ARG 17 HH22 ARG 17 36.802 49.741 52.024 134 H THR 18 H THR 18 43.354 49.966 45.707 135 HA THR 18 HA THR 18 43.375 52.675 44.502 136 HB THR 18 HB THR 18 45.977 51.242 44.773 137 HG1 THR 18 HG1 THR 18 45.269 50.675 46.717 138 HG21 THR 18 HG21 THR 18 45.905 53.639 44.218 139 HG22 THR 18 HG22 THR 18 44.978 53.952 45.724 140 HG23 THR 18 HG23 THR 18 46.656 53.385 45.810 141 H LEU 19 H LEU 19 43.671 52.972 42.403 142 HA LEU 19 HA LEU 19 43.843 50.771 40.481 143 HB2 LEU 19 HB2 LEU 19 42.402 52.838 40.234 144 HB3 LEU 19 HB3 LEU 19 43.896 53.773 40.075 145 HG LEU 19 HG LEU 19 44.505 52.553 38.037 146 HD11 LEU 19 HD11 LEU 19 42.685 51.063 36.963 147 HD12 LEU 19 HD12 LEU 19 43.510 50.348 38.336 148 HD13 LEU 19 HD13 LEU 19 41.890 51.050 38.546 149 HD21 LEU 19 HD21 LEU 19 42.698 53.464 36.597 150 HD22 LEU 19 HD22 LEU 19 41.669 53.638 38.040 151 HD23 LEU 19 HD23 LEU 19 43.159 54.585 37.890 152 H PHE 20 H PHE 20 45.671 50.128 39.501 153 HA PHE 20 HA PHE 20 48.246 51.402 40.225 154 HB2 PHE 20 HB2 PHE 20 48.083 48.880 40.257 155 HB3 PHE 20 HB3 PHE 20 47.855 48.919 38.516 156 HD1 PHE 20 HD2 PHE 20 50.142 49.699 41.324 157 HD2 PHE 20 HD1 PHE 20 49.862 49.484 37.025 158 HE1 PHE 20 HE2 PHE 20 52.617 49.907 41.132 159 HE2 PHE 20 HE1 PHE 20 52.308 49.632 36.859 160 HZ PHE 20 HZ PHE 20 53.689 49.922 38.913 161 H VAL 21 H VAL 21 49.511 52.514 38.738 162 HA VAL 21 HA VAL 21 48.627 52.709 35.926 163 HB VAL 21 HB VAL 21 49.016 55.141 37.730 164 HG11 VAL 21 HG11 VAL 21 47.960 55.002 34.867 165 HG12 VAL 21 HG12 VAL 21 47.940 56.424 35.899 166 HG13 VAL 21 HG13 VAL 21 49.498 55.740 35.427 167 HG21 VAL 21 HG21 VAL 21 46.907 54.174 38.411 168 HG22 VAL 21 HG22 VAL 21 46.597 55.617 37.457 169 HG23 VAL 21 HG23 VAL 21 46.366 54.021 36.725 170 H GLY 22 H GLY 22 50.296 52.651 34.594 171 HA2 GLY 22 HA2 GLY 22 52.992 53.567 35.495 172 HA3 GLY 22 HA3 GLY 22 52.832 52.151 34.534 173 H ASN 23 H ASN 23 54.340 53.560 33.336 174 HA ASN 23 HA ASN 23 55.034 54.605 31.489 175 HB2 ASN 23 HB2 ASN 23 52.931 53.200 30.636 176 HB3 ASN 23 HB3 ASN 23 52.268 54.804 30.360 177 HD21 ASN 23 HD21 ASN 23 52.318 54.819 28.182 178 HD22 ASN 23 HD22 ASN 23 53.775 54.678 27.184 179 H LEU 24 H LEU 24 54.212 56.021 33.794 180 HA LEU 24 HA LEU 24 53.115 58.574 33.183 181 HB2 LEU 24 HB2 LEU 24 55.094 57.758 35.353 182 HB3 LEU 24 HB3 LEU 24 54.291 59.295 35.166 183 HG LEU 24 HG LEU 24 53.526 57.378 36.896 184 HD11 LEU 24 HD11 LEU 24 51.684 59.161 35.291 185 HD12 LEU 24 HD12 LEU 24 51.154 58.310 36.774 186 HD13 LEU 24 HD13 LEU 24 52.425 59.520 36.876 187 HD21 LEU 24 HD21 LEU 24 53.064 55.705 35.144 188 HD22 LEU 24 HD22 LEU 24 51.679 55.990 36.193 189 HD23 LEU 24 HD23 LEU 24 51.690 56.710 34.577 190 H GLU 25 H GLU 25 53.917 60.329 32.462 191 HA GLU 25 HA GLU 25 56.425 60.382 31.249 192 HB2 GLU 25 HB2 GLU 25 54.168 62.176 31.631 193 HB3 GLU 25 HB3 GLU 25 55.614 63.136 31.852 194 HG2 GLU 25 HG2 GLU 25 55.317 61.242 29.500 195 HG3 GLU 25 HG3 GLU 25 54.467 62.785 29.494 196 H THR 26 H THR 26 58.114 62.108 31.505 197 HA THR 26 HA THR 26 59.605 61.277 33.773 198 HB THR 26 HB THR 26 61.411 62.535 32.678 199 HG1 THR 26 HG1 THR 26 59.463 63.569 30.929 200 HG21 THR 26 HG21 THR 26 59.649 61.418 30.425 201 HG22 THR 26 HG22 THR 26 61.419 61.530 30.510 202 HG23 THR 26 HG23 THR 26 60.518 60.400 31.553 203 H LYS 27 H LYS 27 57.534 63.790 33.381 204 HA LYS 27 HA LYS 27 58.553 65.515 35.602 205 HB2 LYS 27 HB2 LYS 27 58.528 66.245 33.011 206 HB3 LYS 27 HB3 LYS 27 56.828 66.503 33.328 207 HG2 LYS 27 HG2 LYS 27 57.843 68.595 33.674 208 HG3 LYS 27 HG3 LYS 27 57.593 68.008 35.311 209 HD2 LYS 27 HD2 LYS 27 59.775 69.026 35.048 210 HD3 LYS 27 HD3 LYS 27 59.948 67.338 35.509 211 HE2 LYS 27 HE2 LYS 27 60.891 66.698 33.506 212 HE3 LYS 27 HE3 LYS 27 60.071 67.936 32.571 213 HZ1 LYS 27 HZ1 LYS 27 61.433 69.576 33.463 214 HZ2 LYS 27 HZ2 LYS 27 62.196 68.569 34.521 215 HZ3 LYS 27 HZ3 LYS 27 62.416 68.408 32.894 216 H VAL 28 H VAL 28 56.233 63.264 35.082 217 HA VAL 28 HA VAL 28 53.761 64.460 35.442 218 HB VAL 28 HB VAL 28 54.227 62.088 34.792 219 HG11 VAL 28 HG11 VAL 28 55.764 61.195 36.243 220 HG12 VAL 28 HG12 VAL 28 55.018 61.878 37.692 221 HG13 VAL 28 HG13 VAL 28 54.302 60.469 36.908 222 HG21 VAL 28 HG21 VAL 28 52.008 63.186 35.711 223 HG22 VAL 28 HG22 VAL 28 52.110 61.482 35.327 224 HG23 VAL 28 HG23 VAL 28 52.259 62.028 37.031 225 H THR 29 H THR 29 52.247 64.278 37.350 226 HA THR 29 HA THR 29 53.255 64.525 40.031 227 HB THR 29 HB THR 29 52.152 66.846 40.370 228 HG1 THR 29 HG1 THR 29 52.612 67.064 37.698 229 HG21 THR 29 HG21 THR 29 54.167 67.955 40.321 230 HG22 THR 29 HG22 THR 29 54.730 66.307 40.276 231 HG23 THR 29 HG23 THR 29 54.674 67.252 38.766 232 H GLU 30 H GLU 30 51.447 65.223 41.465 233 HA GLU 30 HA GLU 30 49.292 63.394 41.072 234 HB2 GLU 30 HB2 GLU 30 49.778 65.515 43.196 235 HB3 GLU 30 HB3 GLU 30 48.576 64.217 43.303 236 HG2 GLU 30 HG2 GLU 30 50.433 62.536 43.012 237 HG3 GLU 30 HG3 GLU 30 51.597 63.851 43.174 238 H GLU 31 H GLU 31 49.670 66.885 40.537 239 HA GLU 31 HA GLU 31 46.917 67.587 40.042 240 HB2 GLU 31 HB2 GLU 31 49.533 68.766 39.059 241 HB3 GLU 31 HB3 GLU 31 47.951 69.502 38.799 242 HG2 GLU 31 HG2 GLU 31 47.606 69.597 41.279 243 HG3 GLU 31 HG3 GLU 31 49.254 69.032 41.494 244 H LEU 32 H LEU 32 49.423 66.184 37.837 245 HA LEU 32 HA LEU 32 47.828 66.691 35.446 246 HB2 LEU 32 HB2 LEU 32 50.152 66.549 35.253 247 HB3 LEU 32 HB3 LEU 32 50.245 64.966 36.002 248 HG LEU 32 HG LEU 32 50.675 64.974 33.574 249 HD11 LEU 32 HD11 LEU 32 49.500 63.089 32.864 250 HD12 LEU 32 HD12 LEU 32 49.773 62.881 34.595 251 HD13 LEU 32 HD13 LEU 32 48.160 63.357 33.981 252 HD21 LEU 32 HD21 LEU 32 48.781 65.124 31.959 253 HD22 LEU 32 HD22 LEU 32 47.791 65.852 33.224 254 HD23 LEU 32 HD23 LEU 32 49.278 66.665 32.682 255 H LEU 33 H LEU 33 48.422 63.871 37.594 256 HA LEU 33 HA LEU 33 46.650 62.085 36.191 257 HB2 LEU 33 HB2 LEU 33 47.416 62.143 39.140 258 HB3 LEU 33 HB3 LEU 33 46.803 60.729 38.324 259 HG LEU 33 HG LEU 33 49.529 62.015 37.846 260 HD11 LEU 33 HD11 LEU 33 48.704 59.443 39.194 261 HD12 LEU 33 HD12 LEU 33 50.377 59.906 38.738 262 HD13 LEU 33 HD13 LEU 33 49.487 60.887 39.907 263 HD21 LEU 33 HD21 LEU 33 50.057 60.438 36.246 264 HD22 LEU 33 HD22 LEU 33 48.724 59.344 36.668 265 HD23 LEU 33 HD23 LEU 33 48.414 60.836 35.767 266 H PHE 34 H PHE 34 46.027 64.173 39.044 267 HA PHE 34 HA PHE 34 43.287 63.508 39.300 268 HB2 PHE 34 HB2 PHE 34 44.965 64.764 40.815 269 HB3 PHE 34 HB3 PHE 34 44.540 66.214 39.893 270 HD1 PHE 34 HD2 PHE 34 43.414 63.578 42.225 271 HD2 PHE 34 HD1 PHE 34 42.465 67.386 40.451 272 HE1 PHE 34 HE2 PHE 34 41.406 63.731 43.653 273 HE2 PHE 34 HE1 PHE 34 40.514 67.597 41.983 274 HZ PHE 34 HZ PHE 34 39.940 65.744 43.527 275 H GLU 35 H GLU 35 44.837 65.960 37.226 276 HA GLU 35 HA GLU 35 42.442 67.169 36.180 277 HB2 GLU 35 HB2 GLU 35 44.482 68.327 35.921 278 HB3 GLU 35 HB3 GLU 35 45.339 66.948 35.271 279 HG2 GLU 35 HG2 GLU 35 44.845 68.556 33.496 280 HG3 GLU 35 HG3 GLU 35 44.062 67.024 33.225 281 H LEU 36 H LEU 36 44.439 64.462 35.100 282 HA LEU 36 HA LEU 36 42.953 63.861 32.729 283 HB2 LEU 36 HB2 LEU 36 45.308 63.504 32.803 284 HB3 LEU 36 HB3 LEU 36 45.227 62.584 34.285 285 HG LEU 36 HG LEU 36 43.976 61.293 31.835 286 HD11 LEU 36 HD11 LEU 36 46.966 61.442 32.407 287 HD12 LEU 36 HD12 LEU 36 46.118 60.356 31.261 288 HD13 LEU 36 HD13 LEU 36 46.112 62.114 31.005 289 HD21 LEU 36 HD21 LEU 36 45.030 59.299 32.896 290 HD22 LEU 36 HD22 LEU 36 45.434 60.323 34.303 291 HD23 LEU 36 HD23 LEU 36 43.738 60.043 33.818 292 H PHE 37 H PHE 37 43.019 62.332 35.937 293 HA PHE 37 HA PHE 37 41.038 60.330 35.154 294 HB2 PHE 37 HB2 PHE 37 42.208 60.818 37.912 295 HB3 PHE 37 HB3 PHE 37 41.108 59.532 37.472 296 HD1 PHE 37 HD2 PHE 37 41.952 57.901 35.494 297 HD2 PHE 37 HD1 PHE 37 44.488 60.359 37.947 298 HE1 PHE 37 HE2 PHE 37 43.985 56.680 34.653 299 HE2 PHE 37 HE1 PHE 37 46.502 59.230 36.981 300 HZ PHE 37 HZ PHE 37 46.238 57.468 35.303 301 H HIS 38 H HIS 38 40.659 63.639 35.789 302 HA HIS 38 HA HIS 38 38.111 63.380 37.203 303 HB2 HIS 38 HB2 HIS 38 39.342 65.364 37.481 304 HB3 HIS 38 HB3 HIS 38 39.394 65.769 35.779 305 HD2 HIS 38 HD2 HIS 38 37.671 66.527 38.894 306 HE1 HIS 38 HE1 HIS 38 34.647 67.408 36.065 307 HE2 HIS 38 HE2 HIS 38 35.388 67.671 38.485 308 H GLN 39 H GLN 39 39.187 63.090 33.965 309 HA GLN 39 HA GLN 39 36.622 63.032 32.616 310 HB2 GLN 39 HB2 GLN 39 39.367 61.834 32.165 311 HB3 GLN 39 HB3 GLN 39 38.061 61.642 30.992 312 HG2 GLN 39 HG2 GLN 39 37.889 64.070 30.701 313 HG3 GLN 39 HG3 GLN 39 39.239 64.341 31.818 314 HE21 GLN 39 HE22 GLN 39 41.283 64.678 30.727 315 HE22 GLN 39 HE21 GLN 39 41.532 64.104 29.106 316 H ALA 40 H ALA 40 38.507 60.680 34.537 317 HA ALA 40 HA ALA 40 36.901 58.471 33.459 318 HB1 ALA 40 HB1 ALA 40 38.899 58.233 35.701 319 HB2 ALA 40 HB2 ALA 40 38.385 57.030 34.499 320 HB3 ALA 40 HB3 ALA 40 39.454 58.378 34.014 321 H GLY 41 H GLY 41 36.936 60.500 36.294 322 HA2 GLY 41 HA2 GLY 41 34.394 60.460 37.042 323 HA3 GLY 41 HA3 GLY 41 34.816 58.798 37.509 324 HA PRO 42 HA PRO 42 35.403 61.401 41.079 325 HB2 PRO 42 HB2 PRO 42 34.256 59.844 42.995 326 HB3 PRO 42 HB3 PRO 42 33.290 60.700 41.742 327 HG2 PRO 42 HG2 PRO 42 34.324 57.844 41.672 328 HG3 PRO 42 HG3 PRO 42 32.617 58.347 41.495 329 HD2 PRO 42 HD2 PRO 42 34.211 57.900 39.365 330 HD3 PRO 42 HD3 PRO 42 33.078 59.277 39.316 331 H VAL 43 H VAL 43 37.376 61.539 41.814 332 HA VAL 43 HA VAL 43 38.899 59.119 42.682 333 HB VAL 43 HB VAL 43 40.964 60.312 42.039 334 HG11 VAL 43 HG11 VAL 43 39.058 59.548 39.803 335 HG12 VAL 43 HG12 VAL 43 40.823 59.661 39.699 336 HG13 VAL 43 HG13 VAL 43 40.084 58.473 40.793 337 HG21 VAL 43 HG21 VAL 43 39.142 62.058 40.311 338 HG22 VAL 43 HG22 VAL 43 40.180 62.662 41.623 339 HG23 VAL 43 HG23 VAL 43 40.901 61.925 40.187 340 H ILE 44 H ILE 44 39.245 59.019 44.728 341 HA ILE 44 HA ILE 44 38.429 60.960 46.648 342 HB ILE 44 HB ILE 44 40.362 58.621 46.918 343 HG12 ILE 44 HG12 ILE 44 38.175 57.821 46.094 344 HG13 ILE 44 HG13 ILE 44 38.586 57.189 47.668 345 HG21 ILE 44 HG21 ILE 44 39.691 58.631 49.337 346 HG22 ILE 44 HG22 ILE 44 40.627 60.050 48.852 347 HG23 ILE 44 HG23 ILE 44 38.884 60.194 49.054 348 HD11 ILE 44 HD11 ILE 44 37.094 58.875 48.766 349 HD12 ILE 44 HD12 ILE 44 36.638 59.447 47.140 350 HD13 ILE 44 HD13 ILE 44 36.250 57.784 47.701 351 H LYS 45 H LYS 45 41.587 59.897 45.644 352 HA LYS 45 HA LYS 45 43.086 62.357 45.890 353 HB2 LYS 45 HB2 LYS 45 44.524 61.858 47.574 354 HB3 LYS 45 HB3 LYS 45 42.974 61.502 48.284 355 HG2 LYS 45 HG2 LYS 45 44.339 59.116 47.092 356 HG3 LYS 45 HG3 LYS 45 45.258 59.901 48.350 357 HD2 LYS 45 HD2 LYS 45 42.444 58.817 48.670 358 HD3 LYS 45 HD3 LYS 45 43.925 58.078 49.259 359 HE2 LYS 45 HE2 LYS 45 43.362 60.911 50.120 360 HE3 LYS 45 HE3 LYS 45 42.309 59.657 50.759 361 HZ1 LYS 45 HZ1 LYS 45 45.260 59.781 51.041 362 HZ2 LYS 45 HZ2 LYS 45 44.138 60.096 52.174 363 HZ3 LYS 45 HZ3 LYS 45 44.296 58.591 51.684 364 H VAL 46 H VAL 46 45.322 61.954 45.087 365 HA VAL 46 HA VAL 46 45.774 59.448 43.547 366 HB VAL 46 HB VAL 46 46.640 62.347 43.112 367 HG11 VAL 46 HG11 VAL 46 48.598 60.959 42.522 368 HG12 VAL 46 HG12 VAL 46 47.565 60.099 41.337 369 HG13 VAL 46 HG13 VAL 46 47.889 61.856 41.204 370 HG21 VAL 46 HG21 VAL 46 44.350 61.577 42.227 371 HG22 VAL 46 HG22 VAL 46 45.444 62.215 40.992 372 HG23 VAL 46 HG23 VAL 46 45.205 60.479 41.134 373 H LYS 47 H LYS 47 48.087 58.706 43.424 374 HA LYS 47 HA LYS 47 49.994 59.918 45.363 375 HB2 LYS 47 HB2 LYS 47 49.300 57.704 46.282 376 HB3 LYS 47 HB3 LYS 47 49.331 57.020 44.673 377 HG2 LYS 47 HG2 LYS 47 51.213 56.163 45.810 378 HG3 LYS 47 HG3 LYS 47 51.814 57.246 44.580 379 HD2 LYS 47 HD2 LYS 47 52.087 59.072 46.365 380 HD3 LYS 47 HD3 LYS 47 51.583 57.890 47.541 381 HE2 LYS 47 HE2 LYS 47 53.906 57.392 45.561 382 HE3 LYS 47 HE3 LYS 47 54.182 58.243 47.070 383 HZ1 LYS 47 HZ1 LYS 47 53.621 56.364 48.274 384 HZ2 LYS 47 HZ2 LYS 47 52.966 55.563 47.043 385 HZ3 LYS 47 HZ3 LYS 47 54.576 55.783 47.122 386 H ILE 48 H ILE 48 51.844 60.489 44.659 387 HA ILE 48 HA ILE 48 52.916 59.339 42.112 388 HB ILE 48 HB ILE 48 52.958 62.134 43.155 389 HG12 ILE 48 HG12 ILE 48 51.329 61.188 41.393 390 HG13 ILE 48 HG13 ILE 48 52.183 62.695 41.007 391 HG21 ILE 48 HG21 ILE 48 55.081 60.937 41.375 392 HG22 ILE 48 HG22 ILE 48 54.782 62.690 41.536 393 HG23 ILE 48 HG23 ILE 48 55.291 61.760 42.937 394 HD11 ILE 48 HD11 ILE 48 52.720 59.936 39.875 395 HD12 ILE 48 HD12 ILE 48 51.997 61.358 39.081 396 HD13 ILE 48 HD13 ILE 48 53.711 61.384 39.523 397 HA PRO 49 HA PRO 49 56.219 58.116 45.026 398 HB2 PRO 49 HB2 PRO 49 57.650 56.659 43.192 399 HB3 PRO 49 HB3 PRO 49 56.244 55.974 44.057 400 HG2 PRO 49 HG2 PRO 49 56.392 57.179 41.299 401 HG3 PRO 49 HG3 PRO 49 55.498 55.689 41.811 402 HD2 PRO 49 HD2 PRO 49 54.312 58.103 41.378 403 HD3 PRO 49 HD3 PRO 49 53.697 57.005 42.601 404 H LYS 50 H LYS 50 58.683 58.407 44.904 405 HA LYS 50 HA LYS 50 59.911 59.863 42.785 406 HB2 LYS 50 HB2 LYS 50 59.076 61.383 45.237 407 HB3 LYS 50 HB3 LYS 50 60.685 61.683 44.532 408 HG2 LYS 50 HG2 LYS 50 59.379 61.788 42.267 409 HG3 LYS 50 HG3 LYS 50 57.991 62.131 43.307 410 HD2 LYS 50 HD2 LYS 50 59.304 63.956 44.437 411 HD3 LYS 50 HD3 LYS 50 60.571 63.803 43.206 412 HE2 LYS 50 HE2 LYS 50 59.195 64.401 41.461 413 HE3 LYS 50 HE3 LYS 50 57.728 64.014 42.347 414 HZ1 LYS 50 HZ1 LYS 50 58.423 66.445 42.158 415 HZ2 LYS 50 HZ2 LYS 50 57.831 65.898 43.550 416 HZ3 LYS 50 HZ3 LYS 50 59.458 66.133 43.394 417 H ASP 51 H ASP 51 61.636 58.767 42.703 418 HA ASP 51 HA ASP 51 63.099 57.369 44.727 419 HB2 ASP 51 HB2 ASP 51 63.341 57.077 42.239 420 HB3 ASP 51 HB3 ASP 51 64.050 58.680 42.131 421 H LYS 52 H LYS 52 65.402 57.938 45.425 422 HA LYS 52 HA LYS 52 65.654 60.419 46.742 423 HB2 LYS 52 HB2 LYS 52 68.049 59.871 46.883 424 HB3 LYS 52 HB3 LYS 52 67.068 58.455 47.241 425 HG2 LYS 52 HG2 LYS 52 68.499 57.409 45.943 426 HG3 LYS 52 HG3 LYS 52 67.356 57.892 44.680 427 HD2 LYS 52 HD2 LYS 52 68.885 59.763 44.045 428 HD3 LYS 52 HD3 LYS 52 70.022 59.183 45.277 429 HE2 LYS 52 HE2 LYS 52 68.934 57.528 42.925 430 HE3 LYS 52 HE3 LYS 52 70.482 58.381 42.839 431 HZ1 LYS 52 HZ1 LYS 52 71.436 56.937 44.290 432 HZ2 LYS 52 HZ2 LYS 52 70.066 56.458 44.968 433 HZ3 LYS 52 HZ3 LYS 52 70.461 55.920 43.487 434 H ASP 53 H ASP 53 66.114 59.571 43.374 435 HA ASP 53 HA ASP 53 67.528 61.981 42.677 436 HB2 ASP 53 HB2 ASP 53 67.772 59.794 41.562 437 HB3 ASP 53 HB3 ASP 53 66.106 59.898 40.987 438 H GLY 54 H GLY 54 64.291 61.541 43.606 439 HA2 GLY 54 HA2 GLY 54 62.505 62.972 43.575 440 HA3 GLY 54 HA3 GLY 54 63.446 64.177 42.712 441 H LYS 55 H LYS 55 62.610 60.781 41.859 442 HA LYS 55 HA LYS 55 61.106 61.786 39.502 443 HB2 LYS 55 HB2 LYS 55 63.446 61.220 38.889 444 HB3 LYS 55 HB3 LYS 55 63.121 59.539 39.417 445 HG2 LYS 55 HG2 LYS 55 62.830 59.349 37.109 446 HG3 LYS 55 HG3 LYS 55 61.214 59.533 37.690 447 HD2 LYS 55 HD2 LYS 55 61.241 60.939 35.878 448 HD3 LYS 55 HD3 LYS 55 61.473 62.087 37.166 449 HE2 LYS 55 HE2 LYS 55 64.119 61.348 36.518 450 HE3 LYS 55 HE3 LYS 55 63.308 61.322 34.962 451 HZ1 LYS 55 HZ1 LYS 55 64.239 63.463 35.462 452 HZ2 LYS 55 HZ2 LYS 55 62.660 63.654 35.373 453 HZ3 LYS 55 HZ3 LYS 55 63.351 63.618 36.838 454 HA PRO 56 HA PRO 56 58.194 58.818 40.979 455 HB2 PRO 56 HB2 PRO 56 56.422 58.991 38.858 456 HB3 PRO 56 HB3 PRO 56 56.632 60.322 40.092 457 HG2 PRO 56 HG2 PRO 56 57.845 59.944 37.367 458 HG3 PRO 56 HG3 PRO 56 57.069 61.456 38.021 459 HD2 PRO 56 HD2 PRO 56 59.711 61.248 38.070 460 HD3 PRO 56 HD3 PRO 56 58.809 61.914 39.461 461 H LYS 57 H LYS 57 60.461 57.871 39.001 462 HA LYS 57 HA LYS 57 60.978 55.921 37.832 463 HB2 LYS 57 HB2 LYS 57 58.914 54.659 39.632 464 HB3 LYS 57 HB3 LYS 57 60.366 53.911 38.982 465 HG2 LYS 57 HG2 LYS 57 61.351 54.383 40.920 466 HG3 LYS 57 HG3 LYS 57 61.431 56.061 40.391 467 HD2 LYS 57 HD2 LYS 57 59.429 56.677 41.525 468 HD3 LYS 57 HD3 LYS 57 59.026 54.972 41.908 469 HE2 LYS 57 HE2 LYS 57 61.641 56.191 42.693 470 HE3 LYS 57 HE3 LYS 57 60.231 56.552 43.705 471 HZ1 LYS 57 HZ1 LYS 57 61.511 54.607 44.426 472 HZ2 LYS 57 HZ2 LYS 57 59.927 54.262 44.178 473 HZ3 LYS 57 HZ3 LYS 57 61.091 53.810 43.106 474 H GLN 58 H GLN 58 58.771 57.388 36.639 475 HA GLN 58 HA GLN 58 57.086 57.298 35.182 476 HB2 GLN 58 HB2 GLN 58 58.539 54.766 34.365 477 HB3 GLN 58 HB3 GLN 58 57.184 55.489 33.483 478 HG2 GLN 58 HG2 GLN 58 58.679 57.679 33.649 479 HG3 GLN 58 HG3 GLN 58 59.992 56.493 33.906 480 HE21 GLN 58 HE22 GLN 58 57.547 57.788 31.872 481 HE22 GLN 58 HE21 GLN 58 57.635 56.697 30.511 482 H PHE 59 H PHE 59 56.252 56.275 37.748 483 HA PHE 59 HA PHE 59 53.879 54.712 36.923 484 HB2 PHE 59 HB2 PHE 59 54.096 52.845 38.014 485 HB3 PHE 59 HB3 PHE 59 55.718 53.127 37.437 486 HD1 PHE 59 HD1 PHE 59 53.536 53.310 40.492 487 HD2 PHE 59 HD2 PHE 59 57.538 53.087 38.952 488 HE1 PHE 59 HE1 PHE 59 54.412 53.041 42.811 489 HE2 PHE 59 HE2 PHE 59 58.402 52.684 41.263 490 HZ PHE 59 HZ PHE 59 56.843 52.786 43.196 491 H ALA 60 H ALA 60 52.189 54.593 38.692 492 HA ALA 60 HA ALA 60 52.335 56.310 41.039 493 HB1 ALA 60 HB1 ALA 60 50.553 57.174 38.732 494 HB2 ALA 60 HB2 ALA 60 50.616 57.895 40.334 495 HB3 ALA 60 HB3 ALA 60 52.049 57.991 39.302 496 H PHE 61 H PHE 61 49.964 56.581 41.911 497 HA PHE 61 HA PHE 61 48.104 54.349 41.237 498 HB2 PHE 61 HB2 PHE 61 49.445 55.115 43.808 499 HB3 PHE 61 HB3 PHE 61 47.800 54.547 43.921 500 HD1 PHE 61 HD1 PHE 61 47.256 52.175 43.185 501 HD2 PHE 61 HD2 PHE 61 51.310 53.641 43.339 502 HE1 PHE 61 HE1 PHE 61 48.068 49.887 43.646 503 HE2 PHE 61 HE2 PHE 61 52.128 51.307 43.583 504 HZ PHE 61 HZ PHE 61 50.503 49.459 43.923 505 H VAL 62 H VAL 62 45.878 54.767 41.650 506 HA VAL 62 HA VAL 62 45.097 57.462 42.674 507 HB VAL 62 HB VAL 62 43.586 55.850 40.571 508 HG11 VAL 62 HG11 VAL 62 43.276 58.687 41.575 509 HG12 VAL 62 HG12 VAL 62 42.561 58.107 40.066 510 HG13 VAL 62 HG13 VAL 62 42.099 57.334 41.582 511 HG21 VAL 62 HG21 VAL 62 45.479 56.380 39.347 512 HG22 VAL 62 HG22 VAL 62 44.372 57.707 38.974 513 HG23 VAL 62 HG23 VAL 62 45.689 57.974 40.135 514 H ASN 63 H ASN 63 43.471 57.549 44.149 515 HA ASN 63 HA ASN 63 42.478 54.990 45.267 516 HB2 ASN 63 HB2 ASN 63 43.694 56.982 46.548 517 HB3 ASN 63 HB3 ASN 63 42.114 57.703 46.566 518 HD21 ASN 63 HD22 ASN 63 43.886 54.629 47.210 519 HD22 ASN 63 HD21 ASN 63 42.967 54.259 48.658 520 H PHE 64 H PHE 64 40.533 54.264 45.034 521 HA PHE 64 HA PHE 64 38.350 55.970 43.998 522 HB2 PHE 64 HB2 PHE 64 37.367 53.907 43.100 523 HB3 PHE 64 HB3 PHE 64 38.936 54.262 42.453 524 HD1 PHE 64 HD1 PHE 64 37.518 52.106 45.294 525 HD2 PHE 64 HD2 PHE 64 40.324 52.454 42.015 526 HE1 PHE 64 HE1 PHE 64 38.365 49.842 45.753 527 HE2 PHE 64 HE2 PHE 64 41.199 50.213 42.548 528 HZ PHE 64 HZ PHE 64 40.265 48.910 44.404 529 H LYS 65 H LYS 65 36.202 55.338 44.834 530 HA LYS 65 HA LYS 65 36.253 55.440 47.727 531 HB2 LYS 65 HB2 LYS 65 34.046 56.271 47.444 532 HB3 LYS 65 HB3 LYS 65 35.022 56.915 46.133 533 HG2 LYS 65 HG2 LYS 65 34.024 55.162 44.567 534 HG3 LYS 65 HG3 LYS 65 33.012 54.603 45.897 535 HD2 LYS 65 HD2 LYS 65 32.188 56.937 46.215 536 HD3 LYS 65 HD3 LYS 65 33.098 57.411 44.763 537 HE2 LYS 65 HE2 LYS 65 31.761 55.820 43.414 538 HE3 LYS 65 HE3 LYS 65 30.842 55.350 44.864 539 HZ1 LYS 65 HZ1 LYS 65 29.944 57.176 43.323 540 HZ2 LYS 65 HZ2 LYS 65 29.810 57.393 44.932 541 HZ3 LYS 65 HZ3 LYS 65 30.946 58.160 44.080 542 H HIS 66 H HIS 66 35.275 53.050 45.399 543 HA HIS 66 HA HIS 66 33.460 51.571 47.120 544 HB2 HIS 66 HB2 HIS 66 33.470 51.810 44.614 545 HB3 HIS 66 HB3 HIS 66 34.871 50.728 44.593 546 HD2 HIS 66 HD2 HIS 66 33.041 49.294 43.003 547 HE1 HIS 66 HE1 HIS 66 30.982 47.616 46.327 548 HE2 HIS 66 HE2 HIS 66 31.316 47.491 43.803 549 H GLU 67 H GLU 67 33.876 49.143 47.441 550 HA GLU 67 HA GLU 67 36.500 48.782 48.759 551 HB2 GLU 67 HB2 GLU 67 34.249 48.277 49.845 552 HB3 GLU 67 HB3 GLU 67 34.129 46.885 48.737 553 HG2 GLU 67 HG2 GLU 67 36.271 46.023 49.629 554 HG3 GLU 67 HG3 GLU 67 36.372 47.444 50.691 555 H VAL 68 H VAL 68 34.900 47.817 45.813 556 HA VAL 68 HA VAL 68 37.284 46.168 45.190 557 HB VAL 68 HB VAL 68 35.505 44.668 45.288 558 HG11 VAL 68 HG11 VAL 68 33.972 46.284 43.211 559 HG12 VAL 68 HG12 VAL 68 33.449 44.807 44.038 560 HG13 VAL 68 HG13 VAL 68 33.591 46.328 44.941 561 HG21 VAL 68 HG21 VAL 68 37.088 44.503 43.221 562 HG22 VAL 68 HG22 VAL 68 35.500 43.735 43.019 563 HG23 VAL 68 HG23 VAL 68 35.813 45.331 42.326 564 H SER 69 H SER 69 38.233 46.554 43.305 565 HA SER 69 HA SER 69 38.500 49.143 42.435 566 HB2 SER 69 HB2 SER 69 40.082 47.168 42.142 567 HB3 SER 69 HB3 SER 69 39.126 46.672 40.754 568 HG SER 69 HG SER 69 40.810 47.978 40.168 569 H VAL 70 H VAL 70 37.816 50.472 41.030 570 HA VAL 70 HA VAL 70 35.782 49.688 38.997 571 HB VAL 70 HB VAL 70 34.814 52.012 39.374 572 HG11 VAL 70 HG11 VAL 70 33.704 49.996 40.279 573 HG12 VAL 70 HG12 VAL 70 34.751 50.026 41.694 574 HG13 VAL 70 HG13 VAL 70 33.594 51.339 41.432 575 HG21 VAL 70 HG21 VAL 70 36.742 53.048 40.616 576 HG22 VAL 70 HG22 VAL 70 35.217 53.165 41.474 577 HG23 VAL 70 HG23 VAL 70 36.404 51.955 41.980 578 HA PRO 71 HA PRO 71 39.600 51.464 37.216 579 HB2 PRO 71 HB2 PRO 71 40.180 49.408 35.352 580 HB3 PRO 71 HB3 PRO 71 40.749 49.525 37.016 581 HG2 PRO 71 HG2 PRO 71 38.750 47.718 35.872 582 HG3 PRO 71 HG3 PRO 71 39.447 47.692 37.525 583 HD2 PRO 71 HD2 PRO 71 36.871 48.714 36.636 584 HD3 PRO 71 HD3 PRO 71 37.488 48.368 38.284 585 H TYR 72 H TYR 72 37.283 52.673 36.490 586 HA TYR 72 HA TYR 72 36.343 52.433 33.838 587 HB2 TYR 72 HB2 TYR 72 35.340 53.802 35.794 588 HB3 TYR 72 HB3 TYR 72 36.472 55.073 35.365 589 HD1 TYR 72 HD2 TYR 72 33.535 53.101 34.269 590 HD2 TYR 72 HD1 TYR 72 36.088 56.470 33.418 591 HE1 TYR 72 HE2 TYR 72 31.815 54.019 32.751 592 HE2 TYR 72 HE1 TYR 72 34.396 57.348 31.815 593 HH TYR 72 HH TYR 72 32.176 56.957 30.999 594 H ALA 73 H ALA 73 39.038 54.453 35.093 595 HA ALA 73 HA ALA 73 39.762 55.623 32.665 596 HB1 ALA 73 HB1 ALA 73 41.660 54.761 34.925 597 HB2 ALA 73 HB2 ALA 73 41.966 56.000 33.715 598 HB3 ALA 73 HB3 ALA 73 40.695 56.247 34.932 599 H MET 74 H MET 74 40.297 52.292 33.547 600 HA MET 74 HA MET 74 42.604 51.737 31.827 601 HB2 MET 74 HB2 MET 74 41.747 50.555 33.978 602 HB3 MET 74 HB3 MET 74 40.675 49.669 32.911 603 HG2 MET 74 HG2 MET 74 43.725 49.774 32.751 604 HG3 MET 74 HG3 MET 74 42.853 48.521 33.541 605 HE1 MET 74 HE1 MET 74 40.344 47.882 31.250 606 HE2 MET 74 HE2 MET 74 41.187 46.711 30.242 607 HE3 MET 74 HE3 MET 74 41.260 46.548 31.997 608 H ASN 75 H ASN 75 39.119 51.926 31.405 609 HA ASN 75 HA ASN 75 39.357 51.201 28.523 610 HB2 ASN 75 HB2 ASN 75 37.587 50.085 29.722 611 HB3 ASN 75 HB3 ASN 75 36.991 51.627 30.359 612 HD21 ASN 75 HD22 ASN 75 35.565 52.784 29.177 613 HD22 ASN 75 HD21 ASN 75 35.028 52.296 27.572 614 H LEU 76 H LEU 76 38.762 54.080 30.577 615 HA LEU 76 HA LEU 76 37.713 55.690 28.432 616 HB2 LEU 76 HB2 LEU 76 37.300 55.769 30.954 617 HB3 LEU 76 HB3 LEU 76 38.841 56.640 31.051 618 HG LEU 76 HG LEU 76 36.746 57.897 31.271 619 HD11 LEU 76 HD11 LEU 76 38.430 58.965 29.000 620 HD12 LEU 76 HD12 LEU 76 37.142 59.816 29.807 621 HD13 LEU 76 HD13 LEU 76 38.515 59.255 30.786 622 HD21 LEU 76 HD21 LEU 76 35.230 58.395 29.717 623 HD22 LEU 76 HD22 LEU 76 36.167 57.814 28.335 624 HD23 LEU 76 HD23 LEU 76 35.436 56.648 29.490 625 H LEU 77 H LEU 77 41.004 55.300 29.774 626 HA LEU 77 HA LEU 77 42.040 57.491 28.002 627 HB2 LEU 77 HB2 LEU 77 43.203 56.596 30.648 628 HB3 LEU 77 HB3 LEU 77 43.906 57.725 29.495 629 HG LEU 77 HG LEU 77 43.114 59.163 31.025 630 HD11 LEU 77 HD11 LEU 77 41.031 60.236 30.438 631 HD12 LEU 77 HD12 LEU 77 41.872 59.821 28.929 632 HD13 LEU 77 HD13 LEU 77 40.501 58.845 29.466 633 HD21 LEU 77 HD21 LEU 77 41.008 58.886 32.305 634 HD22 LEU 77 HD22 LEU 77 40.896 57.241 31.606 635 HD23 LEU 77 HD23 LEU 77 42.316 57.738 32.592 636 H ASN 78 H ASN 78 43.712 54.848 29.693 637 HA ASN 78 HA ASN 78 45.741 53.939 28.862 638 HB2 ASN 78 HB2 ASN 78 43.931 52.404 29.467 639 HB3 ASN 78 HB3 ASN 78 43.457 52.257 27.762 640 HD21 ASN 78 HD22 ASN 78 45.822 51.833 26.481 641 HD22 ASN 78 HD21 ASN 78 46.684 50.449 27.147 642 H GLY 79 H GLY 79 46.515 55.719 27.481 643 HA2 GLY 79 HA2 GLY 79 47.697 55.169 25.165 644 HA3 GLY 79 HA3 GLY 79 46.043 55.342 24.568 645 H ILE 80 H ILE 80 46.749 57.587 27.153 646 HA ILE 80 HA ILE 80 46.931 59.749 25.100 647 HB ILE 80 HB ILE 80 45.028 60.859 26.101 648 HG12 ILE 80 HG12 ILE 80 43.807 59.206 27.905 649 HG13 ILE 80 HG13 ILE 80 45.519 58.977 28.331 650 HG21 ILE 80 HG21 ILE 80 44.238 57.943 25.736 651 HG22 ILE 80 HG22 ILE 80 43.195 59.367 25.713 652 HG23 ILE 80 HG23 ILE 80 44.427 59.165 24.447 653 HD11 ILE 80 HD11 ILE 80 44.479 61.782 27.974 654 HD12 ILE 80 HD12 ILE 80 44.076 60.864 29.436 655 HD13 ILE 80 HD13 ILE 80 45.784 61.163 29.010 656 H LYS 81 H LYS 81 47.314 61.871 25.921 657 HA LYS 81 HA LYS 81 48.444 62.252 28.527 658 HB2 LYS 81 HB2 LYS 81 50.885 62.468 27.650 659 HB3 LYS 81 HB3 LYS 81 50.195 60.931 28.089 660 HG2 LYS 81 HG2 LYS 81 51.475 60.569 26.108 661 HG3 LYS 81 HG3 LYS 81 49.807 60.283 25.776 662 HD2 LYS 81 HD2 LYS 81 49.533 62.472 24.717 663 HD3 LYS 81 HD3 LYS 81 51.244 62.836 24.979 664 HE2 LYS 81 HE2 LYS 81 51.809 60.680 23.707 665 HE3 LYS 81 HE3 LYS 81 50.084 60.422 23.463 666 HZ1 LYS 81 HZ1 LYS 81 51.114 61.407 21.569 667 HZ2 LYS 81 HZ2 LYS 81 50.090 62.518 22.175 668 HZ3 LYS 81 HZ3 LYS 81 51.730 62.619 22.417 669 H LEU 82 H LEU 82 49.914 64.121 28.649 670 HA LEU 82 HA LEU 82 49.152 66.437 26.925 671 HB2 LEU 82 HB2 LEU 82 47.581 66.016 28.760 672 HB3 LEU 82 HB3 LEU 82 48.883 66.202 29.927 673 HG LEU 82 HG LEU 82 48.965 68.597 29.558 674 HD11 LEU 82 HD11 LEU 82 48.744 68.709 27.127 675 HD12 LEU 82 HD12 LEU 82 47.030 68.217 27.239 676 HD13 LEU 82 HD13 LEU 82 47.572 69.766 27.918 677 HD21 LEU 82 HD21 LEU 82 47.108 67.480 30.882 678 HD22 LEU 82 HD22 LEU 82 46.714 69.112 30.296 679 HD23 LEU 82 HD23 LEU 82 46.071 67.662 29.471 680 H TYR 83 H TYR 83 51.650 64.868 27.371 681 HA TYR 83 HA TYR 83 53.586 67.073 27.725 682 HB2 TYR 83 HB2 TYR 83 53.466 64.608 29.448 683 HB3 TYR 83 HB3 TYR 83 54.996 65.425 29.160 684 HD1 TYR 83 HD1 TYR 83 54.882 68.143 29.689 685 HD2 TYR 83 HD2 TYR 83 52.497 65.017 31.484 686 HE1 TYR 83 HE1 TYR 83 54.512 69.567 31.678 687 HE2 TYR 83 HE2 TYR 83 52.313 66.394 33.570 688 HH TYR 83 HH TYR 83 53.706 69.593 33.846 689 H GLY 84 H GLY 84 53.206 63.502 27.398 690 HA2 GLY 84 HA2 GLY 84 54.074 63.316 24.728 691 HA3 GLY 84 HA3 GLY 84 55.510 63.126 25.715 692 H ARG 85 H ARG 85 54.533 61.396 27.849 693 HA ARG 85 HA ARG 85 54.252 58.918 26.247 694 HB2 ARG 85 HB2 ARG 85 55.156 59.219 29.148 695 HB3 ARG 85 HB3 ARG 85 54.849 57.718 28.336 696 HG2 ARG 85 HG2 ARG 85 57.094 57.759 28.011 697 HG3 ARG 85 HG3 ARG 85 56.629 58.681 26.561 698 HD2 ARG 85 HD2 ARG 85 56.956 60.746 27.825 699 HD3 ARG 85 HD3 ARG 85 57.515 59.823 29.250 700 HE ARG 85 HE ARG 85 58.943 60.364 26.747 701 HH11 ARG 85 HH11 ARG 85 59.073 58.150 29.675 702 HH12 ARG 85 HH12 ARG 85 60.815 58.142 29.442 703 HH21 ARG 85 HH21 ARG 85 61.046 59.961 26.719 704 HH22 ARG 85 HH22 ARG 85 61.838 59.082 28.010 705 HA PRO 86 HA PRO 86 50.034 58.888 27.361 706 HB2 PRO 86 HB2 PRO 86 49.330 56.433 26.331 707 HB3 PRO 86 HB3 PRO 86 49.651 57.877 25.306 708 HG2 PRO 86 HG2 PRO 86 51.575 55.646 26.028 709 HG3 PRO 86 HG3 PRO 86 51.257 56.360 24.394 710 HD2 PRO 86 HD2 PRO 86 53.350 57.099 25.813 711 HD3 PRO 86 HD3 PRO 86 52.372 58.363 25.006 712 H ILE 87 H ILE 87 49.006 58.552 29.142 713 HA ILE 87 HA ILE 87 50.003 56.969 31.263 714 HB ILE 87 HB ILE 87 47.444 58.426 30.732 715 HG12 ILE 87 HG12 ILE 87 49.464 59.685 31.377 716 HG13 ILE 87 HG13 ILE 87 48.239 59.812 32.634 717 HG21 ILE 87 HG21 ILE 87 46.749 57.881 33.127 718 HG22 ILE 87 HG22 ILE 87 46.494 56.647 31.874 719 HG23 ILE 87 HG23 ILE 87 47.828 56.459 32.999 720 HD11 ILE 87 HD11 ILE 87 50.068 59.513 33.905 721 HD12 ILE 87 HD12 ILE 87 49.619 57.803 33.732 722 HD13 ILE 87 HD13 ILE 87 50.909 58.493 32.722 723 H LYS 88 H LYS 88 49.960 54.934 31.610 724 HA LYS 88 HA LYS 88 48.074 53.131 30.213 725 HB2 LYS 88 HB2 LYS 88 50.470 52.928 29.669 726 HB3 LYS 88 HB3 LYS 88 50.860 52.676 31.367 727 HG2 LYS 88 HG2 LYS 88 50.827 50.574 30.117 728 HG3 LYS 88 HG3 LYS 88 49.656 50.589 31.444 729 HD2 LYS 88 HD2 LYS 88 47.818 51.033 29.822 730 HD3 LYS 88 HD3 LYS 88 49.022 51.060 28.517 731 HE2 LYS 88 HE2 LYS 88 49.615 48.705 29.064 732 HE3 LYS 88 HE3 LYS 88 48.574 48.744 30.484 733 HZ1 LYS 88 HZ1 LYS 88 46.666 49.040 28.904 734 HZ2 LYS 88 HZ2 LYS 88 47.787 49.011 27.687 735 HZ3 LYS 88 HZ3 LYS 88 47.558 47.685 28.509 736 H ILE 89 H ILE 89 46.501 52.511 31.429 737 HA ILE 89 HA ILE 89 46.773 52.354 34.409 738 HB ILE 89 HB ILE 89 44.394 52.064 32.605 739 HG12 ILE 89 HG12 ILE 89 43.751 54.243 34.099 740 HG13 ILE 89 HG13 ILE 89 45.472 54.495 34.111 741 HG21 ILE 89 HG21 ILE 89 44.694 52.154 35.626 742 HG22 ILE 89 HG22 ILE 89 43.117 52.258 34.776 743 HG23 ILE 89 HG23 ILE 89 44.081 50.786 34.683 744 HD11 ILE 89 HD11 ILE 89 43.893 53.908 31.577 745 HD12 ILE 89 HD12 ILE 89 43.985 55.542 32.270 746 HD13 ILE 89 HD13 ILE 89 45.461 54.728 31.666 747 H GLN 90 H GLN 90 46.562 50.454 35.606 748 HA GLN 90 HA GLN 90 46.274 47.868 34.177 749 HB2 GLN 90 HB2 GLN 90 48.440 48.482 36.174 750 HB3 GLN 90 HB3 GLN 90 48.162 46.921 35.427 751 HG2 GLN 90 HG2 GLN 90 48.727 49.343 33.701 752 HG3 GLN 90 HG3 GLN 90 50.005 48.318 34.391 753 HE21 GLN 90 HE22 GLN 90 47.046 48.095 32.242 754 HE22 GLN 90 HE21 GLN 90 47.620 46.643 31.456 755 H PHE 91 H PHE 91 45.770 46.216 35.445 756 HA PHE 91 HA PHE 91 43.953 46.904 37.700 757 HB2 PHE 91 HB2 PHE 91 42.739 44.741 36.970 758 HB3 PHE 91 HB3 PHE 91 42.583 46.266 36.082 759 HD1 PHE 91 HD2 PHE 91 44.408 42.965 35.999 760 HD2 PHE 91 HD1 PHE 91 42.761 46.307 33.845 761 HE1 PHE 91 HE2 PHE 91 44.904 41.835 33.837 762 HE2 PHE 91 HE1 PHE 91 43.450 45.276 31.696 763 HZ PHE 91 HZ PHE 91 44.469 43.011 31.691 764 H ARG 92 H ARG 92 43.471 45.435 39.336 765 HA ARG 92 HA ARG 92 45.943 44.355 40.515 766 HB2 ARG 92 HB2 ARG 92 43.316 45.128 41.841 767 HB3 ARG 92 HB3 ARG 92 44.850 44.887 42.645 768 HG2 ARG 92 HG2 ARG 92 44.184 47.186 40.753 769 HG3 ARG 92 HG3 ARG 92 44.263 47.249 42.503 770 HD2 ARG 92 HD2 ARG 92 46.625 46.506 40.735 771 HD3 ARG 92 HD3 ARG 92 46.231 48.161 41.237 772 HE ARG 92 HE ARG 92 46.367 47.074 43.669 773 HH11 ARG 92 HH11 ARG 92 48.700 46.440 40.986 774 HH12 ARG 92 HH12 ARG 92 49.999 46.587 42.125 775 HH21 ARG 92 HH21 ARG 92 48.203 47.024 44.917 776 HH22 ARG 92 HH22 ARG 92 49.736 46.718 44.095 777 H SER 93 H SER 93 43.337 42.880 39.035 778 HA SER 93 HA SER 93 42.674 40.895 41.048 779 HB2 SER 93 HB2 SER 93 41.053 40.258 39.151 780 HB3 SER 93 HB3 SER 93 40.926 41.844 39.932 781 HG SER 93 HG SER 93 40.907 42.333 37.913 782 H GLY 94 H GLY 94 43.007 38.785 41.111 783 HA2 GLY 94 HA2 GLY 94 43.425 36.605 40.272 784 HA3 GLY 94 HA3 GLY 94 44.066 37.317 38.796 785 H SER 95 H SER 95 45.239 35.167 39.938 786 HA SER 95 HA SER 95 47.528 35.848 41.592 787 HB2 SER 95 HB2 SER 95 47.969 33.426 41.513 788 HB3 SER 95 HB3 SER 95 46.283 33.797 41.883 789 HG SER 95 HG SER 95 45.949 32.554 40.236 790 H SER 96 H SER 96 49.751 35.431 41.122 791 HA SER 96 HA SER 96 50.510 35.161 38.255 792 HB2 SER 96 HB2 SER 96 51.603 37.330 40.061 793 HB3 SER 96 HB3 SER 96 52.485 36.719 38.646 794 HG SER 96 HG SER 96 49.929 37.804 38.579 795 H HIS 97 H HIS 97 51.688 34.537 41.636 796 HA HIS 97 HA HIS 97 53.652 32.629 40.434 797 HB2 HIS 97 HB2 HIS 97 54.262 34.446 42.772 798 HB3 HIS 97 HB3 HIS 97 55.398 33.475 41.866 799 HD2 HIS 97 HD2 HIS 97 55.652 34.250 39.109 800 HE1 HIS 97 HE1 HIS 97 54.731 38.326 39.840 801 HE2 HIS 97 HE2 HIS 97 55.570 36.667 38.137 802 H ALA 98 H ALA 98 54.060 30.740 41.812 803 HA ALA 98 HA ALA 98 52.441 30.588 44.256 804 HB1 ALA 98 HB1 ALA 98 50.954 29.986 42.304 805 HB2 ALA 98 HB2 ALA 98 52.083 28.674 41.898 806 HB3 ALA 98 HB3 ALA 98 51.191 28.626 43.421 807 HA PRO 99 HA PRO 99 55.455 27.410 45.342 808 HB2 PRO 99 HB2 PRO 99 54.306 26.439 47.583 809 HB3 PRO 99 HB3 PRO 99 54.952 28.110 47.537 810 HG2 PRO 99 HG2 PRO 99 52.090 27.175 47.234 811 HG3 PRO 99 HG3 PRO 99 52.698 28.556 48.193 812 HD2 PRO 99 HD2 PRO 99 51.640 28.684 45.606 813 HD3 PRO 99 HD3 PRO 99 52.707 29.928 46.292 814 H GLN 100 H GLN 100 55.624 25.151 44.921 815 HA GLN 100 HA GLN 100 53.611 23.763 43.479 816 HB2 GLN 100 HB2 GLN 100 55.921 23.201 43.179 817 HB3 GLN 100 HB3 GLN 100 56.146 22.997 44.918 818 HG2 GLN 100 HG2 GLN 100 56.207 20.893 43.815 819 HG3 GLN 100 HG3 GLN 100 54.857 20.978 44.943 820 HE21 GLN 100 HE22 GLN 100 54.244 18.934 43.494 821 HE22 GLN 100 HE21 GLN 100 53.555 19.297 41.918 822 H ASP 101 H ASP 101 54.498 23.797 46.931 823 HA ASP 101 HA ASP 101 51.864 22.767 47.794 824 HB2 ASP 101 HB2 ASP 101 53.528 20.795 47.732 825 HB3 ASP 101 HB3 ASP 101 54.403 21.610 49.023 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 46.952 48.451 22.747 2 H2 GLY 1 H2 GLY 1 45.465 48.844 23.251 3 H3 GLY 1 H3 GLY 1 46.112 49.585 21.935 4 HA2 GLY 1 HA2 GLY 1 46.088 47.573 20.648 5 HA3 GLY 1 HA3 GLY 1 45.523 46.698 22.092 6 H SER 2 H SER 2 43.701 46.009 21.062 7 HA SER 2 HA SER 2 41.437 47.636 21.657 8 HB2 SER 2 HB2 SER 2 40.362 47.553 19.389 9 HB3 SER 2 HB3 SER 2 41.696 48.680 19.475 10 HG SER 2 HG SER 2 41.543 47.079 17.704 11 H GLU 3 H GLU 3 42.151 45.227 22.787 12 HA GLU 3 HA GLU 3 40.618 43.089 21.381 13 HB2 GLU 3 HB2 GLU 3 42.754 42.978 23.545 14 HB3 GLU 3 HB3 GLU 3 41.850 41.581 22.981 15 HG2 GLU 3 HG2 GLU 3 43.839 41.458 21.795 16 HG3 GLU 3 HG3 GLU 3 42.745 42.155 20.627 17 H PHE 4 H PHE 4 38.896 42.038 22.280 18 HA PHE 4 HA PHE 4 37.908 42.901 24.923 19 HB2 PHE 4 HB2 PHE 4 35.717 43.370 23.679 20 HB3 PHE 4 HB3 PHE 4 37.036 44.519 23.540 21 HD1 PHE 4 HD2 PHE 4 35.288 41.802 21.716 22 HD2 PHE 4 HD1 PHE 4 37.829 45.245 21.438 23 HE1 PHE 4 HE2 PHE 4 34.993 41.815 19.237 24 HE2 PHE 4 HE1 PHE 4 37.586 45.232 18.949 25 HZ PHE 4 HZ PHE 4 36.179 43.514 17.855 26 H GLU 5 H GLU 5 37.472 40.560 22.295 27 HA GLU 5 HA GLU 5 35.821 38.726 23.988 28 HB2 GLU 5 HB2 GLU 5 35.596 39.568 21.103 29 HB3 GLU 5 HB3 GLU 5 35.173 37.912 21.494 30 HG2 GLU 5 HG2 GLU 5 33.649 38.780 23.315 31 HG3 GLU 5 HG3 GLU 5 33.975 40.420 22.774 32 H LEU 6 H LEU 6 38.008 38.366 24.772 33 HA LEU 6 HA LEU 6 39.432 36.194 23.319 34 HB2 LEU 6 HB2 LEU 6 40.362 38.679 24.516 35 HB3 LEU 6 HB3 LEU 6 41.117 37.322 25.320 36 HG LEU 6 HG LEU 6 42.490 38.150 23.490 37 HD11 LEU 6 HD11 LEU 6 41.435 35.366 22.852 38 HD12 LEU 6 HD12 LEU 6 43.056 36.023 22.533 39 HD13 LEU 6 HD13 LEU 6 42.507 35.772 24.201 40 HD21 LEU 6 HD21 LEU 6 40.961 39.033 21.933 41 HD22 LEU 6 HD22 LEU 6 41.760 37.697 21.101 42 HD23 LEU 6 HD23 LEU 6 40.113 37.486 21.722 43 H ARG 7 H ARG 7 37.422 36.584 25.934 44 HA ARG 7 HA ARG 7 36.989 35.510 27.922 45 HB2 ARG 7 HB2 ARG 7 37.441 33.665 25.646 46 HB3 ARG 7 HB3 ARG 7 36.765 33.009 27.177 47 HG2 ARG 7 HG2 ARG 7 34.783 33.489 26.206 48 HG3 ARG 7 HG3 ARG 7 35.099 35.134 26.792 49 HD2 ARG 7 HD2 ARG 7 36.014 35.700 24.543 50 HD3 ARG 7 HD3 ARG 7 35.594 34.051 24.013 51 HE ARG 7 HE ARG 7 33.288 35.411 25.162 52 HH11 ARG 7 HH11 ARG 7 35.197 35.094 22.216 53 HH12 ARG 7 HH12 ARG 7 33.970 35.902 21.264 54 HH21 ARG 7 HH21 ARG 7 31.864 36.379 23.890 55 HH22 ARG 7 HH22 ARG 7 32.204 36.760 22.205 56 H ARG 8 H ARG 8 39.670 36.264 28.163 57 HA ARG 8 HA ARG 8 41.485 34.266 29.080 58 HB2 ARG 8 HB2 ARG 8 41.191 37.093 30.142 59 HB3 ARG 8 HB3 ARG 8 42.588 36.030 30.288 60 HG2 ARG 8 HG2 ARG 8 41.599 37.105 27.603 61 HG3 ARG 8 HG3 ARG 8 42.906 37.767 28.585 62 HD2 ARG 8 HD2 ARG 8 44.042 35.523 28.479 63 HD3 ARG 8 HD3 ARG 8 42.739 34.964 27.388 64 HE ARG 8 HE ARG 8 44.064 37.414 26.529 65 HH11 ARG 8 HH11 ARG 8 44.436 33.925 26.445 66 HH12 ARG 8 HH12 ARG 8 45.459 34.012 25.027 67 HH21 ARG 8 HH21 ARG 8 45.148 37.354 24.551 68 HH22 ARG 8 HH22 ARG 8 45.928 35.834 24.143 69 H GLN 9 H GLN 9 39.110 36.136 31.026 70 HA GLN 9 HA GLN 9 38.584 33.772 32.645 71 HB2 GLN 9 HB2 GLN 9 40.153 36.086 33.608 72 HB3 GLN 9 HB3 GLN 9 38.675 35.915 34.529 73 HG2 GLN 9 HG2 GLN 9 39.421 33.495 35.007 74 HG3 GLN 9 HG3 GLN 9 40.950 33.933 34.233 75 HE21 GLN 9 HE22 GLN 9 41.175 33.132 36.744 76 HE22 GLN 9 HE21 GLN 9 41.473 34.473 37.839 77 H GLN 10 H GLN 10 36.506 34.289 34.092 78 HA GLN 10 HA GLN 10 34.491 35.598 32.519 79 HB2 GLN 10 HB2 GLN 10 32.991 35.231 34.241 80 HB3 GLN 10 HB3 GLN 10 33.925 33.790 33.931 81 HG2 GLN 10 HG2 GLN 10 34.273 33.515 36.061 82 HG3 GLN 10 HG3 GLN 10 35.283 34.931 36.134 83 HE21 GLN 10 HE22 GLN 10 34.319 34.939 38.563 84 HE22 GLN 10 HE21 GLN 10 32.621 35.201 38.781 85 H ALA 11 H ALA 11 36.336 36.641 35.349 86 HA ALA 11 HA ALA 11 35.468 39.458 35.153 87 HB1 ALA 11 HB1 ALA 11 35.018 37.589 37.533 88 HB2 ALA 11 HB2 ALA 11 34.755 39.356 37.541 89 HB3 ALA 11 HB3 ALA 11 33.800 38.308 36.483 90 H LEU 12 H LEU 12 36.736 40.265 37.670 91 HA LEU 12 HA LEU 12 39.562 40.009 36.794 92 HB2 LEU 12 HB2 LEU 12 38.176 42.034 38.524 93 HB3 LEU 12 HB3 LEU 12 39.852 42.130 38.002 94 HG LEU 12 HG LEU 12 37.361 42.280 36.270 95 HD11 LEU 12 HD11 LEU 12 39.539 44.306 36.964 96 HD12 LEU 12 HD12 LEU 12 37.992 44.635 36.112 97 HD13 LEU 12 HD13 LEU 12 38.008 44.164 37.820 98 HD21 LEU 12 HD21 LEU 12 38.968 41.304 34.774 99 HD22 LEU 12 HD22 LEU 12 38.828 43.011 34.405 100 HD23 LEU 12 HD23 LEU 12 40.250 42.430 35.293 101 H ALA 13 H ALA 13 37.814 38.440 38.966 102 HA ALA 13 HA ALA 13 37.954 37.419 40.936 103 HB1 ALA 13 HB1 ALA 13 40.636 36.842 39.640 104 HB2 ALA 13 HB2 ALA 13 39.915 35.859 40.940 105 HB3 ALA 13 HB3 ALA 13 39.096 36.031 39.373 106 H GLU 14 H GLU 14 39.393 40.214 41.226 107 HA GLU 14 HA GLU 14 40.289 40.015 44.058 108 HB2 GLU 14 HB2 GLU 14 41.837 40.872 41.605 109 HB3 GLU 14 HB3 GLU 14 42.142 41.669 43.149 110 HG2 GLU 14 HG2 GLU 14 42.511 38.735 42.530 111 HG3 GLU 14 HG3 GLU 14 43.778 39.958 42.689 112 H ALA 15 H ALA 15 40.694 42.426 44.790 113 HA ALA 15 HA ALA 15 39.558 44.561 43.272 114 HB1 ALA 15 HB1 ALA 15 37.697 45.068 44.921 115 HB2 ALA 15 HB2 ALA 15 37.381 43.739 43.812 116 HB3 ALA 15 HB3 ALA 15 37.865 43.392 45.499 117 H ASP 16 H ASP 16 40.357 46.465 44.025 118 HA ASP 16 HA ASP 16 40.906 46.943 46.840 119 HB2 ASP 16 HB2 ASP 16 43.063 46.040 46.240 120 HB3 ASP 16 HB3 ASP 16 43.114 46.946 44.739 121 H ARG 17 H ARG 17 40.412 49.239 47.181 122 HA ARG 17 HA ARG 17 39.299 50.708 44.955 123 HB2 ARG 17 HB2 ARG 17 40.132 51.795 47.702 124 HB3 ARG 17 HB3 ARG 17 39.139 52.627 46.527 125 HG2 ARG 17 HG2 ARG 17 37.505 50.653 46.693 126 HG3 ARG 17 HG3 ARG 17 38.390 50.195 48.158 127 HD2 ARG 17 HD2 ARG 17 36.914 52.811 47.560 128 HD3 ARG 17 HD3 ARG 17 36.403 51.552 48.691 129 HE ARG 17 HE ARG 17 37.984 52.259 50.286 130 HH11 ARG 17 HH11 ARG 17 38.070 54.395 47.474 131 HH12 ARG 17 HH12 ARG 17 39.223 55.443 48.272 132 HH21 ARG 17 HH21 ARG 17 39.175 53.634 51.198 133 HH22 ARG 17 HH22 ARG 17 39.656 55.160 50.492 134 H THR 18 H THR 18 42.524 50.354 45.804 135 HA THR 18 HA THR 18 43.165 52.869 44.367 136 HB THR 18 HB THR 18 45.212 51.214 45.823 137 HG1 THR 18 HG1 THR 18 44.236 52.025 47.422 138 HG21 THR 18 HG21 THR 18 45.008 54.162 45.091 139 HG22 THR 18 HG22 THR 18 46.425 53.308 45.741 140 HG23 THR 18 HG23 THR 18 45.851 53.004 44.055 141 H LEU 19 H LEU 19 43.933 52.961 42.461 142 HA LEU 19 HA LEU 19 44.095 50.519 40.801 143 HB2 LEU 19 HB2 LEU 19 42.270 52.202 40.471 144 HB3 LEU 19 HB3 LEU 19 43.500 53.406 40.056 145 HG LEU 19 HG LEU 19 44.087 52.093 38.027 146 HD11 LEU 19 HD11 LEU 19 42.722 50.184 37.352 147 HD12 LEU 19 HD12 LEU 19 43.534 49.838 38.870 148 HD13 LEU 19 HD13 LEU 19 41.804 50.275 38.886 149 HD21 LEU 19 HD21 LEU 19 41.696 52.284 36.921 150 HD22 LEU 19 HD22 LEU 19 41.165 52.847 38.498 151 HD23 LEU 19 HD23 LEU 19 42.404 53.753 37.605 152 H PHE 20 H PHE 20 45.957 50.073 39.693 153 HA PHE 20 HA PHE 20 48.239 51.834 40.157 154 HB2 PHE 20 HB2 PHE 20 48.410 49.446 40.562 155 HB3 PHE 20 HB3 PHE 20 48.109 49.090 38.878 156 HD1 PHE 20 HD1 PHE 20 49.787 50.338 37.117 157 HD2 PHE 20 HD2 PHE 20 50.655 49.749 41.307 158 HE1 PHE 20 HE1 PHE 20 52.198 50.465 36.638 159 HE2 PHE 20 HE2 PHE 20 53.063 50.083 40.828 160 HZ PHE 20 HZ PHE 20 53.838 50.441 38.499 161 H VAL 21 H VAL 21 49.426 52.872 38.767 162 HA VAL 21 HA VAL 21 48.498 53.072 35.953 163 HB VAL 21 HB VAL 21 48.930 55.533 37.714 164 HG11 VAL 21 HG11 VAL 21 47.541 55.390 35.048 165 HG12 VAL 21 HG12 VAL 21 48.438 56.739 35.808 166 HG13 VAL 21 HG13 VAL 21 49.302 55.383 35.059 167 HG21 VAL 21 HG21 VAL 21 46.826 54.576 38.454 168 HG22 VAL 21 HG22 VAL 21 46.469 55.890 37.330 169 HG23 VAL 21 HG23 VAL 21 46.349 54.197 36.795 170 H GLY 22 H GLY 22 50.191 52.816 34.639 171 HA2 GLY 22 HA2 GLY 22 52.944 53.615 35.513 172 HA3 GLY 22 HA3 GLY 22 52.666 52.161 34.644 173 H ASN 23 H ASN 23 54.304 53.423 33.327 174 HA ASN 23 HA ASN 23 54.994 54.484 31.439 175 HB2 ASN 23 HB2 ASN 23 52.821 53.148 30.702 176 HB3 ASN 23 HB3 ASN 23 52.194 54.790 30.450 177 HD21 ASN 23 HD21 ASN 23 52.092 54.703 28.217 178 HD22 ASN 23 HD22 ASN 23 53.496 54.574 27.184 179 H LEU 24 H LEU 24 54.189 56.017 33.793 180 HA LEU 24 HA LEU 24 52.946 58.542 33.144 181 HB2 LEU 24 HB2 LEU 24 54.920 57.704 35.283 182 HB3 LEU 24 HB3 LEU 24 54.250 59.313 35.103 183 HG LEU 24 HG LEU 24 53.369 57.586 36.884 184 HD11 LEU 24 HD11 LEU 24 51.575 59.391 35.286 185 HD12 LEU 24 HD12 LEU 24 50.947 58.407 36.620 186 HD13 LEU 24 HD13 LEU 24 52.220 59.564 36.960 187 HD21 LEU 24 HD21 LEU 24 52.864 55.828 35.113 188 HD22 LEU 24 HD22 LEU 24 51.516 56.169 36.218 189 HD23 LEU 24 HD23 LEU 24 51.513 56.837 34.573 190 H GLU 25 H GLU 25 53.827 60.377 32.444 191 HA GLU 25 HA GLU 25 56.320 60.328 31.166 192 HB2 GLU 25 HB2 GLU 25 54.232 62.229 31.489 193 HB3 GLU 25 HB3 GLU 25 55.648 63.098 32.005 194 HG2 GLU 25 HG2 GLU 25 55.795 61.495 29.441 195 HG3 GLU 25 HG3 GLU 25 54.899 62.984 29.386 196 H THR 26 H THR 26 58.101 62.030 31.516 197 HA THR 26 HA THR 26 59.559 60.909 33.702 198 HB THR 26 HB THR 26 61.351 62.344 32.968 199 HG1 THR 26 HG1 THR 26 59.428 63.531 31.293 200 HG21 THR 26 HG21 THR 26 60.874 60.388 31.473 201 HG22 THR 26 HG22 THR 26 59.750 61.362 30.511 202 HG23 THR 26 HG23 THR 26 61.448 61.787 30.512 203 H LYS 27 H LYS 27 57.705 63.676 33.265 204 HA LYS 27 HA LYS 27 58.620 65.391 35.538 205 HB2 LYS 27 HB2 LYS 27 59.130 66.124 33.247 206 HB3 LYS 27 HB3 LYS 27 57.420 66.087 32.838 207 HG2 LYS 27 HG2 LYS 27 58.245 68.352 33.232 208 HG3 LYS 27 HG3 LYS 27 56.979 67.953 34.381 209 HD2 LYS 27 HD2 LYS 27 58.726 69.169 35.464 210 HD3 LYS 27 HD3 LYS 27 58.772 67.525 36.108 211 HE2 LYS 27 HE2 LYS 27 60.674 66.968 34.615 212 HE3 LYS 27 HE3 LYS 27 60.543 68.559 33.841 213 HZ1 LYS 27 HZ1 LYS 27 62.178 68.765 35.465 214 HZ2 LYS 27 HZ2 LYS 27 60.892 69.460 36.127 215 HZ3 LYS 27 HZ3 LYS 27 61.293 67.959 36.613 216 H VAL 28 H VAL 28 56.291 63.180 34.998 217 HA VAL 28 HA VAL 28 53.763 64.370 35.127 218 HB VAL 28 HB VAL 28 54.261 61.987 34.682 219 HG11 VAL 28 HG11 VAL 28 54.248 60.489 36.847 220 HG12 VAL 28 HG12 VAL 28 55.743 61.243 36.262 221 HG13 VAL 28 HG13 VAL 28 54.858 61.928 37.645 222 HG21 VAL 28 HG21 VAL 28 52.140 61.459 35.099 223 HG22 VAL 28 HG22 VAL 28 52.236 61.861 36.843 224 HG23 VAL 28 HG23 VAL 28 51.975 63.124 35.636 225 H THR 29 H THR 29 52.223 64.424 36.987 226 HA THR 29 HA THR 29 53.228 64.773 39.706 227 HB THR 29 HB THR 29 52.187 67.070 39.922 228 HG1 THR 29 HG1 THR 29 52.142 68.298 38.205 229 HG21 THR 29 HG21 THR 29 54.658 66.482 39.962 230 HG22 THR 29 HG22 THR 29 54.775 67.141 38.338 231 HG23 THR 29 HG23 THR 29 54.224 68.178 39.684 232 H GLU 30 H GLU 30 51.519 65.071 41.231 233 HA GLU 30 HA GLU 30 49.217 63.527 40.696 234 HB2 GLU 30 HB2 GLU 30 49.378 65.529 42.979 235 HB3 GLU 30 HB3 GLU 30 48.487 64.006 42.896 236 HG2 GLU 30 HG2 GLU 30 50.656 62.793 42.635 237 HG3 GLU 30 HG3 GLU 30 51.499 64.296 42.990 238 H GLU 31 H GLU 31 49.807 67.027 40.289 239 HA GLU 31 HA GLU 31 47.053 67.770 39.919 240 HB2 GLU 31 HB2 GLU 31 49.594 68.942 38.703 241 HB3 GLU 31 HB3 GLU 31 47.990 69.678 38.653 242 HG2 GLU 31 HG2 GLU 31 48.031 69.764 41.167 243 HG3 GLU 31 HG3 GLU 31 49.751 69.362 41.092 244 H LEU 32 H LEU 32 49.578 66.651 37.599 245 HA LEU 32 HA LEU 32 47.935 67.015 35.282 246 HB2 LEU 32 HB2 LEU 32 50.349 66.862 35.022 247 HB3 LEU 32 HB3 LEU 32 50.367 65.247 35.693 248 HG LEU 32 HG LEU 32 49.048 64.456 33.659 249 HD11 LEU 32 HD11 LEU 32 48.092 66.577 32.796 250 HD12 LEU 32 HD12 LEU 32 49.740 67.174 32.449 251 HD13 LEU 32 HD13 LEU 32 49.096 65.789 31.590 252 HD21 LEU 32 HD21 LEU 32 51.127 64.906 32.077 253 HD22 LEU 32 HD22 LEU 32 51.840 65.522 33.570 254 HD23 LEU 32 HD23 LEU 32 51.227 63.846 33.482 255 H LEU 33 H LEU 33 48.607 64.182 37.350 256 HA LEU 33 HA LEU 33 46.884 62.247 36.165 257 HB2 LEU 33 HB2 LEU 33 47.784 62.804 38.986 258 HB3 LEU 33 HB3 LEU 33 46.930 61.314 38.584 259 HG LEU 33 HG LEU 33 49.675 62.135 37.562 260 HD11 LEU 33 HD11 LEU 33 48.985 59.881 39.494 261 HD12 LEU 33 HD12 LEU 33 50.584 60.324 38.886 262 HD13 LEU 33 HD13 LEU 33 49.698 61.446 39.934 263 HD21 LEU 33 HD21 LEU 33 48.133 60.549 36.048 264 HD22 LEU 33 HD22 LEU 33 49.874 60.463 36.224 265 HD23 LEU 33 HD23 LEU 33 48.832 59.332 37.143 266 H PHE 34 H PHE 34 46.088 64.571 38.861 267 HA PHE 34 HA PHE 34 43.415 63.706 39.253 268 HB2 PHE 34 HB2 PHE 34 44.901 64.977 40.699 269 HB3 PHE 34 HB3 PHE 34 44.639 66.406 39.732 270 HD1 PHE 34 HD2 PHE 34 43.082 63.948 42.113 271 HD2 PHE 34 HD1 PHE 34 42.329 67.525 39.812 272 HE1 PHE 34 HE2 PHE 34 41.062 64.411 43.471 273 HE2 PHE 34 HE1 PHE 34 40.195 67.838 41.067 274 HZ PHE 34 HZ PHE 34 39.712 66.445 43.043 275 H GLU 35 H GLU 35 44.685 66.238 36.938 276 HA GLU 35 HA GLU 35 41.993 66.944 36.136 277 HB2 GLU 35 HB2 GLU 35 42.874 68.292 34.440 278 HB3 GLU 35 HB3 GLU 35 43.976 68.461 35.816 279 HG2 GLU 35 HG2 GLU 35 45.649 67.194 34.786 280 HG3 GLU 35 HG3 GLU 35 44.553 66.564 33.530 281 H LEU 36 H LEU 36 44.226 64.480 35.010 282 HA LEU 36 HA LEU 36 42.719 63.680 32.686 283 HB2 LEU 36 HB2 LEU 36 45.077 63.485 32.909 284 HB3 LEU 36 HB3 LEU 36 44.967 62.551 34.381 285 HG LEU 36 HG LEU 36 43.681 61.382 31.910 286 HD11 LEU 36 HD11 LEU 36 46.667 61.528 32.422 287 HD12 LEU 36 HD12 LEU 36 45.861 60.401 31.289 288 HD13 LEU 36 HD13 LEU 36 45.786 62.151 31.002 289 HD21 LEU 36 HD21 LEU 36 43.634 60.131 34.054 290 HD22 LEU 36 HD22 LEU 36 44.729 59.321 32.921 291 HD23 LEU 36 HD23 LEU 36 45.393 60.326 34.224 292 H PHE 37 H PHE 37 42.897 62.358 36.054 293 HA PHE 37 HA PHE 37 41.091 60.245 35.286 294 HB2 PHE 37 HB2 PHE 37 42.432 60.989 37.916 295 HB3 PHE 37 HB3 PHE 37 41.377 59.588 37.739 296 HD1 PHE 37 HD2 PHE 37 41.775 57.974 35.855 297 HD2 PHE 37 HD1 PHE 37 44.878 60.402 37.589 298 HE1 PHE 37 HE2 PHE 37 43.516 56.516 34.804 299 HE2 PHE 37 HE1 PHE 37 46.596 58.901 36.581 300 HZ PHE 37 HZ PHE 37 45.903 56.959 35.216 301 H HIS 38 H HIS 38 40.532 63.355 36.708 302 HA HIS 38 HA HIS 38 38.088 63.065 38.006 303 HB2 HIS 38 HB2 HIS 38 39.457 65.169 37.526 304 HB3 HIS 38 HB3 HIS 38 38.841 65.083 35.858 305 HD2 HIS 38 HD2 HIS 38 36.551 66.273 35.469 306 HE1 HIS 38 HE1 HIS 38 34.988 66.084 39.418 307 HE2 HIS 38 HE2 HIS 38 34.547 66.866 37.052 308 H GLN 39 H GLN 39 38.712 62.785 34.526 309 HA GLN 39 HA GLN 39 35.893 62.721 33.708 310 HB2 GLN 39 HB2 GLN 39 38.425 61.983 32.252 311 HB3 GLN 39 HB3 GLN 39 36.812 61.863 31.579 312 HG2 GLN 39 HG2 GLN 39 37.887 63.828 30.718 313 HG3 GLN 39 HG3 GLN 39 36.458 64.283 31.608 314 HE21 GLN 39 HE22 GLN 39 39.981 64.358 31.505 315 HE22 GLN 39 HE21 GLN 39 40.175 65.462 32.844 316 H ALA 40 H ALA 40 38.060 60.420 35.162 317 HA ALA 40 HA ALA 40 36.488 58.079 34.238 318 HB1 ALA 40 HB1 ALA 40 38.260 56.684 35.156 319 HB2 ALA 40 HB2 ALA 40 38.856 57.773 33.909 320 HB3 ALA 40 HB3 ALA 40 39.195 58.122 35.621 321 H GLY 41 H GLY 41 36.024 60.212 36.328 322 HA2 GLY 41 HA2 GLY 41 33.942 60.086 37.581 323 HA3 GLY 41 HA3 GLY 41 34.350 58.438 38.058 324 HA PRO 42 HA PRO 42 34.892 61.192 41.731 325 HB2 PRO 42 HB2 PRO 42 34.079 58.506 42.864 326 HB3 PRO 42 HB3 PRO 42 33.616 60.113 43.465 327 HG2 PRO 42 HG2 PRO 42 31.902 58.603 41.987 328 HG3 PRO 42 HG3 PRO 42 31.972 60.353 41.713 329 HD2 PRO 42 HD2 PRO 42 33.174 58.148 40.053 330 HD3 PRO 42 HD3 PRO 42 32.522 59.719 39.546 331 H VAL 43 H VAL 43 37.052 61.422 41.715 332 HA VAL 43 HA VAL 43 38.925 59.195 42.397 333 HB VAL 43 HB VAL 43 39.278 61.944 41.160 334 HG11 VAL 43 HG11 VAL 43 41.392 60.153 42.358 335 HG12 VAL 43 HG12 VAL 43 41.717 61.416 41.131 336 HG13 VAL 43 HG13 VAL 43 41.069 61.879 42.705 337 HG21 VAL 43 HG21 VAL 43 38.778 59.923 39.682 338 HG22 VAL 43 HG22 VAL 43 40.350 60.703 39.402 339 HG23 VAL 43 HG23 VAL 43 40.238 59.174 40.334 340 H ILE 44 H ILE 44 39.146 58.974 44.507 341 HA ILE 44 HA ILE 44 38.470 61.012 46.441 342 HB ILE 44 HB ILE 44 40.078 58.450 46.606 343 HG12 ILE 44 HG12 ILE 44 37.701 58.075 45.986 344 HG13 ILE 44 HG13 ILE 44 38.114 57.364 47.532 345 HG21 ILE 44 HG21 ILE 44 39.147 60.186 48.938 346 HG22 ILE 44 HG22 ILE 44 39.483 58.475 49.114 347 HG23 ILE 44 HG23 ILE 44 40.776 59.561 48.611 348 HD11 ILE 44 HD11 ILE 44 35.926 58.490 47.631 349 HD12 ILE 44 HD12 ILE 44 37.086 59.284 48.718 350 HD13 ILE 44 HD13 ILE 44 36.689 60.036 47.166 351 H LYS 45 H LYS 45 41.612 59.663 45.397 352 HA LYS 45 HA LYS 45 43.129 62.110 45.833 353 HB2 LYS 45 HB2 LYS 45 44.406 61.332 47.695 354 HB3 LYS 45 HB3 LYS 45 42.691 61.175 48.118 355 HG2 LYS 45 HG2 LYS 45 42.678 58.816 47.668 356 HG3 LYS 45 HG3 LYS 45 44.418 58.812 47.319 357 HD2 LYS 45 HD2 LYS 45 44.878 59.493 49.662 358 HD3 LYS 45 HD3 LYS 45 43.120 59.592 49.966 359 HE2 LYS 45 HE2 LYS 45 42.756 57.379 49.403 360 HE3 LYS 45 HE3 LYS 45 44.415 57.066 48.882 361 HZ1 LYS 45 HZ1 LYS 45 43.632 57.680 51.663 362 HZ2 LYS 45 HZ2 LYS 45 44.036 56.225 51.115 363 HZ3 LYS 45 HZ3 LYS 45 45.165 57.405 51.186 364 H VAL 46 H VAL 46 45.257 61.887 45.149 365 HA VAL 46 HA VAL 46 46.006 59.545 43.460 366 HB VAL 46 HB VAL 46 46.774 62.493 43.189 367 HG11 VAL 46 HG11 VAL 46 47.538 60.151 41.422 368 HG12 VAL 46 HG12 VAL 46 47.706 61.852 40.950 369 HG13 VAL 46 HG13 VAL 46 48.614 61.261 42.327 370 HG21 VAL 46 HG21 VAL 46 44.477 62.238 42.364 371 HG22 VAL 46 HG22 VAL 46 45.583 62.496 41.024 372 HG23 VAL 46 HG23 VAL 46 44.974 60.864 41.334 373 H LYS 47 H LYS 47 48.159 58.868 43.453 374 HA LYS 47 HA LYS 47 50.098 60.077 45.353 375 HB2 LYS 47 HB2 LYS 47 49.536 58.143 46.519 376 HB3 LYS 47 HB3 LYS 47 49.177 57.212 45.069 377 HG2 LYS 47 HG2 LYS 47 51.042 56.274 46.114 378 HG3 LYS 47 HG3 LYS 47 51.578 56.986 44.596 379 HD2 LYS 47 HD2 LYS 47 52.405 59.025 45.940 380 HD3 LYS 47 HD3 LYS 47 51.953 58.160 47.410 381 HE2 LYS 47 HE2 LYS 47 53.630 56.831 45.288 382 HE3 LYS 47 HE3 LYS 47 54.396 58.007 46.369 383 HZ1 LYS 47 HZ1 LYS 47 53.525 56.631 48.229 384 HZ2 LYS 47 HZ2 LYS 47 53.111 55.464 47.122 385 HZ3 LYS 47 HZ3 LYS 47 54.660 55.946 47.333 386 H ILE 48 H ILE 48 51.796 60.794 44.498 387 HA ILE 48 HA ILE 48 52.991 59.563 42.074 388 HB ILE 48 HB ILE 48 53.006 62.355 43.171 389 HG12 ILE 48 HG12 ILE 48 51.559 61.329 41.236 390 HG13 ILE 48 HG13 ILE 48 52.378 62.873 40.937 391 HG21 ILE 48 HG21 ILE 48 55.215 61.068 41.620 392 HG22 ILE 48 HG22 ILE 48 54.875 62.834 41.513 393 HG23 ILE 48 HG23 ILE 48 55.376 62.114 43.047 394 HD11 ILE 48 HD11 ILE 48 53.501 60.193 40.059 395 HD12 ILE 48 HD12 ILE 48 52.495 61.266 39.038 396 HD13 ILE 48 HD13 ILE 48 54.073 61.819 39.623 397 HA PRO 49 HA PRO 49 56.135 58.063 45.084 398 HB2 PRO 49 HB2 PRO 49 57.494 56.514 43.286 399 HB3 PRO 49 HB3 PRO 49 56.007 55.976 44.120 400 HG2 PRO 49 HG2 PRO 49 56.272 57.166 41.356 401 HG3 PRO 49 HG3 PRO 49 55.340 55.702 41.848 402 HD2 PRO 49 HD2 PRO 49 54.176 58.101 41.472 403 HD3 PRO 49 HD3 PRO 49 53.615 57.055 42.797 404 H LYS 50 H LYS 50 58.489 58.366 45.021 405 HA LYS 50 HA LYS 50 59.740 59.833 42.945 406 HB2 LYS 50 HB2 LYS 50 59.209 61.287 45.559 407 HB3 LYS 50 HB3 LYS 50 60.606 61.652 44.562 408 HG2 LYS 50 HG2 LYS 50 58.736 61.735 42.606 409 HG3 LYS 50 HG3 LYS 50 57.714 62.200 43.960 410 HD2 LYS 50 HD2 LYS 50 59.128 64.095 44.452 411 HD3 LYS 50 HD3 LYS 50 60.380 63.553 43.349 412 HE2 LYS 50 HE2 LYS 50 58.843 63.690 41.408 413 HE3 LYS 50 HE3 LYS 50 57.546 64.288 42.432 414 HZ1 LYS 50 HZ1 LYS 50 59.078 66.238 42.878 415 HZ2 LYS 50 HZ2 LYS 50 60.068 65.642 41.760 416 HZ3 LYS 50 HZ3 LYS 50 58.576 66.100 41.318 417 H ASP 51 H ASP 51 61.420 58.639 42.797 418 HA ASP 51 HA ASP 51 62.874 57.004 44.631 419 HB2 ASP 51 HB2 ASP 51 62.969 57.496 41.871 420 HB3 ASP 51 HB3 ASP 51 64.488 58.139 42.444 421 H LYS 52 H LYS 52 65.297 57.257 44.960 422 HA LYS 52 HA LYS 52 65.905 59.253 46.867 423 HB2 LYS 52 HB2 LYS 52 68.210 58.585 46.646 424 HB3 LYS 52 HB3 LYS 52 67.160 57.195 46.737 425 HG2 LYS 52 HG2 LYS 52 68.216 56.373 44.902 426 HG3 LYS 52 HG3 LYS 52 67.399 57.607 43.968 427 HD2 LYS 52 HD2 LYS 52 69.338 58.959 43.828 428 HD3 LYS 52 HD3 LYS 52 69.961 58.385 45.365 429 HE2 LYS 52 HE2 LYS 52 71.428 57.671 43.724 430 HE3 LYS 52 HE3 LYS 52 70.576 56.218 44.333 431 HZ1 LYS 52 HZ1 LYS 52 69.931 57.624 41.817 432 HZ2 LYS 52 HZ2 LYS 52 70.902 56.333 41.895 433 HZ3 LYS 52 HZ3 LYS 52 69.370 56.159 42.306 434 H ASP 53 H ASP 53 66.178 59.464 43.361 435 HA ASP 53 HA ASP 53 67.591 62.038 43.579 436 HB2 ASP 53 HB2 ASP 53 68.222 60.331 41.944 437 HB3 ASP 53 HB3 ASP 53 66.651 60.508 41.147 438 H GLY 54 H GLY 54 64.363 61.099 43.656 439 HA2 GLY 54 HA2 GLY 54 62.470 62.498 43.866 440 HA3 GLY 54 HA3 GLY 54 63.319 63.795 43.026 441 H LYS 55 H LYS 55 62.136 60.420 42.283 442 HA LYS 55 HA LYS 55 61.005 61.511 39.756 443 HB2 LYS 55 HB2 LYS 55 63.314 60.759 39.430 444 HB3 LYS 55 HB3 LYS 55 62.847 59.118 39.974 445 HG2 LYS 55 HG2 LYS 55 62.757 58.920 37.591 446 HG3 LYS 55 HG3 LYS 55 61.110 59.174 38.047 447 HD2 LYS 55 HD2 LYS 55 61.379 60.698 36.280 448 HD3 LYS 55 HD3 LYS 55 61.621 61.753 37.687 449 HE2 LYS 55 HE2 LYS 55 64.061 61.529 37.434 450 HE3 LYS 55 HE3 LYS 55 63.795 60.408 36.096 451 HZ1 LYS 55 HZ1 LYS 55 62.569 63.116 36.016 452 HZ2 LYS 55 HZ2 LYS 55 64.113 62.905 35.542 453 HZ3 LYS 55 HZ3 LYS 55 62.966 62.131 34.780 454 HA PRO 56 HA PRO 56 57.828 58.614 40.977 455 HB2 PRO 56 HB2 PRO 56 56.184 58.776 38.762 456 HB3 PRO 56 HB3 PRO 56 56.311 60.114 39.973 457 HG2 PRO 56 HG2 PRO 56 57.752 59.759 37.365 458 HG3 PRO 56 HG3 PRO 56 56.921 61.257 37.989 459 HD2 PRO 56 HD2 PRO 56 59.628 60.971 38.218 460 HD3 PRO 56 HD3 PRO 56 58.672 61.719 39.511 461 H LYS 57 H LYS 57 60.209 57.755 38.976 462 HA LYS 57 HA LYS 57 60.850 55.762 37.918 463 HB2 LYS 57 HB2 LYS 57 58.697 54.520 39.647 464 HB3 LYS 57 HB3 LYS 57 60.039 53.700 38.889 465 HG2 LYS 57 HG2 LYS 57 61.059 54.006 40.888 466 HG3 LYS 57 HG3 LYS 57 61.405 55.628 40.338 467 HD2 LYS 57 HD2 LYS 57 59.494 56.587 41.506 468 HD3 LYS 57 HD3 LYS 57 58.777 55.035 41.797 469 HE2 LYS 57 HE2 LYS 57 61.516 55.844 42.859 470 HE3 LYS 57 HE3 LYS 57 60.011 56.109 43.753 471 HZ1 LYS 57 HZ1 LYS 57 61.009 53.448 42.859 472 HZ2 LYS 57 HZ2 LYS 57 61.111 54.030 44.362 473 HZ3 LYS 57 HZ3 LYS 57 59.655 53.738 43.748 474 H GLN 58 H GLN 58 58.611 57.285 36.671 475 HA GLN 58 HA GLN 58 56.965 57.216 35.180 476 HB2 GLN 58 HB2 GLN 58 58.619 54.824 34.265 477 HB3 GLN 58 HB3 GLN 58 57.175 55.323 33.465 478 HG2 GLN 58 HG2 GLN 58 58.518 57.754 33.545 479 HG3 GLN 58 HG3 GLN 58 59.896 56.672 33.770 480 HE21 GLN 58 HE22 GLN 58 57.365 57.770 31.761 481 HE22 GLN 58 HE21 GLN 58 57.533 56.719 30.369 482 H PHE 59 H PHE 59 56.074 56.179 37.689 483 HA PHE 59 HA PHE 59 53.579 54.944 36.781 484 HB2 PHE 59 HB2 PHE 59 53.571 53.016 37.835 485 HB3 PHE 59 HB3 PHE 59 55.240 53.104 37.374 486 HD1 PHE 59 HD2 PHE 59 56.984 53.419 39.163 487 HD2 PHE 59 HD1 PHE 59 52.806 53.119 40.127 488 HE1 PHE 59 HE2 PHE 59 57.549 53.155 41.595 489 HE2 PHE 59 HE1 PHE 59 53.388 52.557 42.473 490 HZ PHE 59 HZ PHE 59 55.752 52.571 43.202 491 H ALA 60 H ALA 60 51.940 54.945 38.690 492 HA ALA 60 HA ALA 60 52.283 56.575 41.064 493 HB1 ALA 60 HB1 ALA 60 50.718 57.661 38.673 494 HB2 ALA 60 HB2 ALA 60 50.750 58.423 40.268 495 HB3 ALA 60 HB3 ALA 60 52.243 58.303 39.347 496 H PHE 61 H PHE 61 49.964 56.882 42.129 497 HA PHE 61 HA PHE 61 48.180 54.617 41.404 498 HB2 PHE 61 HB2 PHE 61 49.426 55.145 44.122 499 HB3 PHE 61 HB3 PHE 61 47.787 54.594 44.026 500 HD1 PHE 61 HD1 PHE 61 47.242 52.432 42.822 501 HD2 PHE 61 HD2 PHE 61 51.273 53.479 43.924 502 HE1 PHE 61 HE1 PHE 61 47.813 50.025 43.032 503 HE2 PHE 61 HE2 PHE 61 51.856 51.069 44.024 504 HZ PHE 61 HZ PHE 61 50.104 49.344 43.656 505 H VAL 62 H VAL 62 46.030 54.859 41.755 506 HA VAL 62 HA VAL 62 45.022 57.582 42.488 507 HB VAL 62 HB VAL 62 43.999 55.953 40.128 508 HG11 VAL 62 HG11 VAL 62 43.484 58.812 40.978 509 HG12 VAL 62 HG12 VAL 62 42.849 57.974 39.540 510 HG13 VAL 62 HG13 VAL 62 42.350 57.437 41.152 511 HG21 VAL 62 HG21 VAL 62 46.138 56.740 39.375 512 HG22 VAL 62 HG22 VAL 62 45.009 58.012 38.864 513 HG23 VAL 62 HG23 VAL 62 46.009 58.239 40.310 514 H ASN 63 H ASN 63 43.147 57.581 43.716 515 HA ASN 63 HA ASN 63 42.197 54.940 44.733 516 HB2 ASN 63 HB2 ASN 63 43.455 56.599 46.310 517 HB3 ASN 63 HB3 ASN 63 42.054 57.629 46.095 518 HD21 ASN 63 HD22 ASN 63 42.974 54.287 47.318 519 HD22 ASN 63 HD21 ASN 63 41.539 54.150 48.284 520 H PHE 64 H PHE 64 39.956 54.544 44.604 521 HA PHE 64 HA PHE 64 38.162 56.637 43.432 522 HB2 PHE 64 HB2 PHE 64 38.539 53.693 42.893 523 HB3 PHE 64 HB3 PHE 64 37.047 54.480 42.472 524 HD1 PHE 64 HD2 PHE 64 37.061 56.379 40.758 525 HD2 PHE 64 HD1 PHE 64 40.633 54.176 41.701 526 HE1 PHE 64 HE2 PHE 64 38.145 57.260 38.707 527 HE2 PHE 64 HE1 PHE 64 41.779 55.232 39.731 528 HZ PHE 64 HZ PHE 64 40.531 56.753 38.248 529 H LYS 65 H LYS 65 36.182 57.000 44.393 530 HA LYS 65 HA LYS 65 35.426 56.040 46.935 531 HB2 LYS 65 HB2 LYS 65 34.482 58.006 45.496 532 HB3 LYS 65 HB3 LYS 65 33.420 56.790 44.778 533 HG2 LYS 65 HG2 LYS 65 32.503 56.363 47.134 534 HG3 LYS 65 HG3 LYS 65 33.425 57.784 47.651 535 HD2 LYS 65 HD2 LYS 65 32.072 58.990 45.708 536 HD3 LYS 65 HD3 LYS 65 31.058 57.532 45.812 537 HE2 LYS 65 HE2 LYS 65 31.101 57.995 48.387 538 HE3 LYS 65 HE3 LYS 65 31.597 59.623 47.947 539 HZ1 LYS 65 HZ1 LYS 65 29.538 59.795 46.621 540 HZ2 LYS 65 HZ2 LYS 65 29.128 58.278 47.037 541 HZ3 LYS 65 HZ3 LYS 65 29.167 59.366 48.183 542 H HIS 66 H HIS 66 34.040 54.447 47.705 543 HA HIS 66 HA HIS 66 34.192 51.857 46.630 544 HB2 HIS 66 HB2 HIS 66 33.937 52.758 48.998 545 HB3 HIS 66 HB3 HIS 66 32.214 52.913 48.669 546 HD2 HIS 66 HD2 HIS 66 31.600 51.242 50.518 547 HE1 HIS 66 HE1 HIS 66 33.533 47.775 48.996 548 HE2 HIS 66 HE2 HIS 66 31.748 48.611 50.598 549 H GLU 67 H GLU 67 31.668 54.292 46.034 550 HA GLU 67 HA GLU 67 29.600 52.381 45.194 551 HB2 GLU 67 HB2 GLU 67 29.780 55.345 44.570 552 HB3 GLU 67 HB3 GLU 67 28.360 54.300 44.452 553 HG2 GLU 67 HG2 GLU 67 28.476 53.915 46.908 554 HG3 GLU 67 HG3 GLU 67 29.739 55.171 46.982 555 H VAL 68 H VAL 68 32.230 53.885 43.662 556 HA VAL 68 HA VAL 68 31.413 53.021 40.929 557 HB VAL 68 HB VAL 68 32.619 54.745 39.949 558 HG11 VAL 68 HG11 VAL 68 30.995 55.938 42.231 559 HG12 VAL 68 HG12 VAL 68 31.368 56.741 40.692 560 HG13 VAL 68 HG13 VAL 68 30.357 55.294 40.705 561 HG21 VAL 68 HG21 VAL 68 34.520 54.916 41.754 562 HG22 VAL 68 HG22 VAL 68 34.059 56.329 40.844 563 HG23 VAL 68 HG23 VAL 68 33.481 56.135 42.510 564 H SER 69 H SER 69 32.798 51.346 42.976 565 HA SER 69 HA SER 69 35.530 51.302 42.072 566 HB2 SER 69 HB2 SER 69 34.710 50.696 44.350 567 HB3 SER 69 HB3 SER 69 34.270 49.111 43.640 568 HG SER 69 HG SER 69 36.387 49.151 44.276 569 H VAL 70 H VAL 70 35.123 51.221 39.925 570 HA VAL 70 HA VAL 70 35.932 48.541 39.050 571 HB VAL 70 HB VAL 70 34.846 49.085 36.772 572 HG11 VAL 70 HG11 VAL 70 32.685 48.134 37.277 573 HG12 VAL 70 HG12 VAL 70 33.882 47.288 38.256 574 HG13 VAL 70 HG13 VAL 70 32.861 48.533 39.003 575 HG21 VAL 70 HG21 VAL 70 34.255 51.521 37.545 576 HG22 VAL 70 HG22 VAL 70 32.969 50.622 36.692 577 HG23 VAL 70 HG23 VAL 70 32.932 50.791 38.444 578 HA PRO 71 HA PRO 71 39.252 50.918 37.458 579 HB2 PRO 71 HB2 PRO 71 40.536 49.206 35.823 580 HB3 PRO 71 HB3 PRO 71 40.283 48.851 37.556 581 HG2 PRO 71 HG2 PRO 71 38.505 47.910 35.268 582 HG3 PRO 71 HG3 PRO 71 39.336 46.893 36.497 583 HD2 PRO 71 HD2 PRO 71 36.781 47.700 36.866 584 HD3 PRO 71 HD3 PRO 71 37.933 47.630 38.206 585 H TYR 72 H TYR 72 37.052 52.047 36.368 586 HA TYR 72 HA TYR 72 36.540 52.007 33.681 587 HB2 TYR 72 HB2 TYR 72 35.371 53.369 35.519 588 HB3 TYR 72 HB3 TYR 72 36.559 54.640 35.274 589 HD1 TYR 72 HD2 TYR 72 35.095 52.616 32.463 590 HD2 TYR 72 HD1 TYR 72 35.161 56.378 34.627 591 HE1 TYR 72 HE2 TYR 72 33.750 53.676 30.700 592 HE2 TYR 72 HE1 TYR 72 33.739 57.394 32.871 593 HH TYR 72 HH TYR 72 32.580 56.882 30.783 594 H ALA 73 H ALA 73 39.124 54.053 35.130 595 HA ALA 73 HA ALA 73 39.751 55.428 32.790 596 HB1 ALA 73 HB1 ALA 73 41.698 54.737 35.024 597 HB2 ALA 73 HB2 ALA 73 41.809 56.015 33.779 598 HB3 ALA 73 HB3 ALA 73 40.538 56.074 35.021 599 H MET 74 H MET 74 40.489 52.089 33.465 600 HA MET 74 HA MET 74 42.736 51.769 31.634 601 HB2 MET 74 HB2 MET 74 42.137 50.314 33.660 602 HB3 MET 74 HB3 MET 74 40.879 49.580 32.670 603 HG2 MET 74 HG2 MET 74 42.446 48.668 31.138 604 HG3 MET 74 HG3 MET 74 43.755 49.662 31.748 605 HE1 MET 74 HE1 MET 74 41.241 46.641 33.033 606 HE2 MET 74 HE2 MET 74 42.046 46.379 34.592 607 HE3 MET 74 HE3 MET 74 41.189 47.899 34.280 608 H ASN 75 H ASN 75 39.248 51.782 31.369 609 HA ASN 75 HA ASN 75 39.257 50.843 28.571 610 HB2 ASN 75 HB2 ASN 75 37.300 50.237 29.951 611 HB3 ASN 75 HB3 ASN 75 37.140 51.890 30.506 612 HD21 ASN 75 HD22 ASN 75 35.208 52.330 29.916 613 HD22 ASN 75 HD21 ASN 75 34.687 52.494 28.231 614 H LEU 76 H LEU 76 39.059 53.873 30.429 615 HA LEU 76 HA LEU 76 37.983 55.319 28.184 616 HB2 LEU 76 HB2 LEU 76 37.309 55.618 30.530 617 HB3 LEU 76 HB3 LEU 76 38.954 56.103 30.948 618 HG LEU 76 HG LEU 76 38.695 58.170 29.539 619 HD11 LEU 76 HD11 LEU 76 35.893 57.061 29.153 620 HD12 LEU 76 HD12 LEU 76 36.316 58.781 28.949 621 HD13 LEU 76 HD13 LEU 76 37.060 57.557 27.906 622 HD21 LEU 76 HD21 LEU 76 37.275 59.361 31.080 623 HD22 LEU 76 HD22 LEU 76 36.482 57.864 31.588 624 HD23 LEU 76 HD23 LEU 76 38.212 58.161 31.972 625 H LEU 77 H LEU 77 41.152 55.199 29.707 626 HA LEU 77 HA LEU 77 42.182 57.427 27.993 627 HB2 LEU 77 HB2 LEU 77 43.235 56.636 30.717 628 HB3 LEU 77 HB3 LEU 77 43.622 58.039 29.730 629 HG LEU 77 HG LEU 77 40.861 57.442 30.904 630 HD11 LEU 77 HD11 LEU 77 42.777 59.508 31.865 631 HD12 LEU 77 HD12 LEU 77 41.333 58.879 32.694 632 HD13 LEU 77 HD13 LEU 77 42.750 57.850 32.562 633 HD21 LEU 77 HD21 LEU 77 40.755 58.997 28.951 634 HD22 LEU 77 HD22 LEU 77 40.438 59.826 30.492 635 HD23 LEU 77 HD23 LEU 77 42.001 60.021 29.694 636 H ASN 78 H ASN 78 43.980 55.093 29.857 637 HA ASN 78 HA ASN 78 45.936 53.988 29.205 638 HB2 ASN 78 HB2 ASN 78 44.079 52.653 29.980 639 HB3 ASN 78 HB3 ASN 78 43.486 52.377 28.361 640 HD21 ASN 78 HD22 ASN 78 45.802 51.489 26.993 641 HD22 ASN 78 HD21 ASN 78 46.375 50.055 27.826 642 H GLY 79 H GLY 79 46.544 55.738 27.661 643 HA2 GLY 79 HA2 GLY 79 47.784 55.005 25.380 644 HA3 GLY 79 HA3 GLY 79 46.113 55.080 24.826 645 H ILE 80 H ILE 80 46.806 57.530 27.238 646 HA ILE 80 HA ILE 80 46.851 59.579 25.094 647 HB ILE 80 HB ILE 80 44.942 60.794 26.093 648 HG12 ILE 80 HG12 ILE 80 43.745 59.065 27.885 649 HG13 ILE 80 HG13 ILE 80 45.479 59.096 28.348 650 HG21 ILE 80 HG21 ILE 80 44.044 57.911 25.881 651 HG22 ILE 80 HG22 ILE 80 43.172 59.395 25.434 652 HG23 ILE 80 HG23 ILE 80 44.552 58.844 24.457 653 HD11 ILE 80 HD11 ILE 80 43.745 61.565 27.926 654 HD12 ILE 80 HD12 ILE 80 43.987 60.802 29.501 655 HD13 ILE 80 HD13 ILE 80 45.370 61.511 28.658 656 H LYS 81 H LYS 81 47.319 61.719 25.782 657 HA LYS 81 HA LYS 81 48.492 62.360 28.293 658 HB2 LYS 81 HB2 LYS 81 50.933 62.433 27.339 659 HB3 LYS 81 HB3 LYS 81 50.253 60.920 27.897 660 HG2 LYS 81 HG2 LYS 81 51.493 60.548 25.933 661 HG3 LYS 81 HG3 LYS 81 49.768 60.268 25.587 662 HD2 LYS 81 HD2 LYS 81 49.684 62.500 24.455 663 HD3 LYS 81 HD3 LYS 81 51.401 62.738 24.866 664 HE2 LYS 81 HE2 LYS 81 51.963 60.698 23.572 665 HE3 LYS 81 HE3 LYS 81 50.239 60.487 23.170 666 HZ1 LYS 81 HZ1 LYS 81 51.472 61.652 21.426 667 HZ2 LYS 81 HZ2 LYS 81 50.254 62.539 22.049 668 HZ3 LYS 81 HZ3 LYS 81 51.779 62.885 22.491 669 H LEU 82 H LEU 82 50.024 64.314 27.976 670 HA LEU 82 HA LEU 82 49.668 66.019 25.559 671 HB2 LEU 82 HB2 LEU 82 47.930 66.646 26.978 672 HB3 LEU 82 HB3 LEU 82 48.933 66.717 28.406 673 HG LEU 82 HG LEU 82 47.977 68.819 27.542 674 HD11 LEU 82 HD11 LEU 82 49.802 68.843 29.132 675 HD12 LEU 82 HD12 LEU 82 50.987 68.962 27.802 676 HD13 LEU 82 HD13 LEU 82 49.794 70.250 28.081 677 HD21 LEU 82 HD21 LEU 82 50.092 68.938 25.381 678 HD22 LEU 82 HD22 LEU 82 48.421 68.374 25.104 679 HD23 LEU 82 HD23 LEU 82 48.710 70.009 25.676 680 H TYR 83 H TYR 83 51.645 64.960 28.275 681 HA TYR 83 HA TYR 83 53.760 66.943 27.900 682 HB2 TYR 83 HB2 TYR 83 53.308 64.523 29.646 683 HB3 TYR 83 HB3 TYR 83 54.884 65.309 29.558 684 HD1 TYR 83 HD1 TYR 83 51.700 67.256 29.589 685 HD2 TYR 83 HD2 TYR 83 55.005 65.753 31.929 686 HE1 TYR 83 HE1 TYR 83 51.155 68.853 31.393 687 HE2 TYR 83 HE2 TYR 83 54.434 67.368 33.746 688 HH TYR 83 HH TYR 83 51.821 69.611 33.504 689 H GLY 84 H GLY 84 53.317 63.433 27.297 690 HA2 GLY 84 HA2 GLY 84 54.741 63.200 24.877 691 HA3 GLY 84 HA3 GLY 84 55.933 62.978 26.148 692 H ARG 85 H ARG 85 54.591 61.377 28.040 693 HA ARG 85 HA ARG 85 54.519 58.839 26.492 694 HB2 ARG 85 HB2 ARG 85 55.257 59.350 29.395 695 HB3 ARG 85 HB3 ARG 85 54.982 57.763 28.685 696 HG2 ARG 85 HG2 ARG 85 57.295 58.061 28.632 697 HG3 ARG 85 HG3 ARG 85 56.732 58.268 26.966 698 HD2 ARG 85 HD2 ARG 85 56.849 60.813 27.424 699 HD3 ARG 85 HD3 ARG 85 57.624 60.370 28.974 700 HE ARG 85 HE ARG 85 59.099 58.974 27.185 701 HH11 ARG 85 HH11 ARG 85 58.288 62.414 27.259 702 HH12 ARG 85 HH12 ARG 85 59.541 62.751 26.072 703 HH21 ARG 85 HH21 ARG 85 60.687 59.549 25.866 704 HH22 ARG 85 HH22 ARG 85 60.899 61.222 25.444 705 HA PRO 86 HA PRO 86 50.071 58.928 27.402 706 HB2 PRO 86 HB2 PRO 86 49.436 56.497 26.292 707 HB3 PRO 86 HB3 PRO 86 49.734 58.009 25.354 708 HG2 PRO 86 HG2 PRO 86 51.668 55.796 26.029 709 HG3 PRO 86 HG3 PRO 86 51.345 56.538 24.395 710 HD2 PRO 86 HD2 PRO 86 53.440 57.278 25.795 711 HD3 PRO 86 HD3 PRO 86 52.418 58.547 25.041 712 H ILE 87 H ILE 87 48.972 58.465 29.141 713 HA ILE 87 HA ILE 87 50.087 56.973 31.312 714 HB ILE 87 HB ILE 87 47.438 58.290 30.719 715 HG12 ILE 87 HG12 ILE 87 49.224 59.814 31.192 716 HG13 ILE 87 HG13 ILE 87 48.050 59.814 32.512 717 HG21 ILE 87 HG21 ILE 87 46.834 56.374 32.064 718 HG22 ILE 87 HG22 ILE 87 47.983 56.881 33.336 719 HG23 ILE 87 HG23 ILE 87 46.569 57.895 32.879 720 HD11 ILE 87 HD11 ILE 87 49.703 58.336 33.804 721 HD12 ILE 87 HD12 ILE 87 50.882 58.792 32.535 722 HD13 ILE 87 HD13 ILE 87 50.102 60.037 33.527 723 H LYS 88 H LYS 88 50.008 54.870 31.753 724 HA LYS 88 HA LYS 88 48.132 53.110 30.245 725 HB2 LYS 88 HB2 LYS 88 50.510 52.796 29.678 726 HB3 LYS 88 HB3 LYS 88 50.899 52.564 31.398 727 HG2 LYS 88 HG2 LYS 88 50.822 50.485 30.049 728 HG3 LYS 88 HG3 LYS 88 49.769 50.479 31.475 729 HD2 LYS 88 HD2 LYS 88 47.816 50.883 30.087 730 HD3 LYS 88 HD3 LYS 88 48.830 51.134 28.649 731 HE2 LYS 88 HE2 LYS 88 48.957 48.575 30.288 732 HE3 LYS 88 HE3 LYS 88 47.692 48.788 29.074 733 HZ1 LYS 88 HZ1 LYS 88 49.660 47.640 28.212 734 HZ2 LYS 88 HZ2 LYS 88 49.384 49.011 27.399 735 HZ3 LYS 88 HZ3 LYS 88 50.587 48.957 28.463 736 H ILE 89 H ILE 89 46.416 52.837 31.579 737 HA ILE 89 HA ILE 89 46.864 52.514 34.468 738 HB ILE 89 HB ILE 89 44.343 52.284 32.845 739 HG12 ILE 89 HG12 ILE 89 43.990 54.514 34.339 740 HG13 ILE 89 HG13 ILE 89 45.746 54.580 34.245 741 HG21 ILE 89 HG21 ILE 89 44.844 52.436 35.859 742 HG22 ILE 89 HG22 ILE 89 43.247 52.595 35.124 743 HG23 ILE 89 HG23 ILE 89 44.126 51.065 34.978 744 HD11 ILE 89 HD11 ILE 89 43.950 54.319 31.802 745 HD12 ILE 89 HD12 ILE 89 44.469 55.872 32.525 746 HD13 ILE 89 HD13 ILE 89 45.665 54.736 31.832 747 H GLN 90 H GLN 90 46.648 50.594 35.592 748 HA GLN 90 HA GLN 90 46.357 47.968 34.252 749 HB2 GLN 90 HB2 GLN 90 48.545 48.590 36.300 750 HB3 GLN 90 HB3 GLN 90 48.276 47.081 35.450 751 HG2 GLN 90 HG2 GLN 90 49.030 48.117 33.335 752 HG3 GLN 90 HG3 GLN 90 49.106 49.699 34.132 753 HE21 GLN 90 HE22 GLN 90 51.218 49.398 32.990 754 HE22 GLN 90 HE21 GLN 90 52.522 48.827 34.047 755 H PHE 91 H PHE 91 46.036 46.267 35.894 756 HA PHE 91 HA PHE 91 44.697 47.368 38.333 757 HB2 PHE 91 HB2 PHE 91 42.919 46.757 36.876 758 HB3 PHE 91 HB3 PHE 91 43.642 45.160 36.598 759 HD1 PHE 91 HD1 PHE 91 43.603 43.426 38.267 760 HD2 PHE 91 HD2 PHE 91 41.812 47.251 39.139 761 HE1 PHE 91 HE1 PHE 91 42.811 42.553 40.424 762 HE2 PHE 91 HE2 PHE 91 41.051 46.375 41.334 763 HZ PHE 91 HZ PHE 91 41.580 44.035 41.999 764 H ARG 92 H ARG 92 45.342 46.601 40.124 765 HA ARG 92 HA ARG 92 46.422 43.898 40.451 766 HB2 ARG 92 HB2 ARG 92 48.328 45.654 39.911 767 HB3 ARG 92 HB3 ARG 92 48.079 46.189 41.549 768 HG2 ARG 92 HG2 ARG 92 49.809 44.566 41.747 769 HG3 ARG 92 HG3 ARG 92 48.386 43.614 42.166 770 HD2 ARG 92 HD2 ARG 92 48.216 42.765 39.875 771 HD3 ARG 92 HD3 ARG 92 49.607 43.734 39.376 772 HE ARG 92 HE ARG 92 50.556 42.100 41.473 773 HH11 ARG 92 HH11 ARG 92 49.071 41.496 38.299 774 HH12 ARG 92 HH12 ARG 92 49.911 39.947 38.211 775 HH21 ARG 92 HH21 ARG 92 51.239 40.010 41.268 776 HH22 ARG 92 HH22 ARG 92 51.028 39.147 39.768 777 H SER 93 H SER 93 46.448 43.285 42.697 778 HA SER 93 HA SER 93 44.663 44.860 44.497 779 HB2 SER 93 HB2 SER 93 43.773 42.860 43.381 780 HB3 SER 93 HB3 SER 93 44.954 41.874 44.276 781 HG SER 93 HG SER 93 43.261 41.985 45.542 782 H GLY 94 H GLY 94 44.929 44.429 46.849 783 HA2 GLY 94 HA2 GLY 94 46.492 42.714 48.148 784 HA3 GLY 94 HA3 GLY 94 47.676 43.985 47.875 785 H SER 95 H SER 95 45.855 42.833 50.180 786 HA SER 95 HA SER 95 45.407 45.335 51.643 787 HB2 SER 95 HB2 SER 95 43.170 43.277 51.210 788 HB3 SER 95 HB3 SER 95 43.061 44.757 52.175 789 HG SER 95 HG SER 95 43.161 45.897 50.264 790 H SER 96 H SER 96 45.587 44.949 53.910 791 HA SER 96 HA SER 96 45.297 42.397 55.137 792 HB2 SER 96 HB2 SER 96 48.171 43.419 54.775 793 HB3 SER 96 HB3 SER 96 47.728 42.347 56.097 794 HG SER 96 HG SER 96 47.196 41.662 53.464 795 H HIS 97 H HIS 97 45.088 42.538 57.277 796 HA HIS 97 HA HIS 97 46.402 44.391 58.982 797 HB2 HIS 97 HB2 HIS 97 44.650 45.945 58.397 798 HB3 HIS 97 HB3 HIS 97 43.379 44.766 58.738 799 HD2 HIS 97 HD2 HIS 97 46.472 45.997 60.782 800 HE1 HIS 97 HE1 HIS 97 43.068 46.363 63.289 801 HE2 HIS 97 HE2 HIS 97 45.531 46.737 63.124 802 H ALA 98 H ALA 98 46.995 43.046 60.571 803 HA ALA 98 HA ALA 98 45.244 40.904 61.690 804 HB1 ALA 98 HB1 ALA 98 48.198 41.583 61.874 805 HB2 ALA 98 HB2 ALA 98 47.402 40.320 62.839 806 HB3 ALA 98 HB3 ALA 98 47.453 40.190 61.064 807 HA PRO 99 HA PRO 99 44.864 43.737 65.245 808 HB2 PRO 99 HB2 PRO 99 44.551 42.044 67.359 809 HB3 PRO 99 HB3 PRO 99 43.238 42.308 66.175 810 HG2 PRO 99 HG2 PRO 99 45.215 40.009 66.275 811 HG3 PRO 99 HG3 PRO 99 43.454 39.934 65.990 812 HD2 PRO 99 HD2 PRO 99 45.280 39.866 63.964 813 HD3 PRO 99 HD3 PRO 99 43.658 40.570 63.782 814 H GLN 100 H GLN 100 46.430 44.493 66.938 815 HA GLN 100 HA GLN 100 49.054 43.112 66.743 816 HB2 GLN 100 HB2 GLN 100 50.021 45.061 66.637 817 HB3 GLN 100 HB3 GLN 100 48.431 45.561 66.044 818 HG2 GLN 100 HG2 GLN 100 49.494 45.956 68.825 819 HG3 GLN 100 HG3 GLN 100 49.478 47.144 67.499 820 HE21 GLN 100 HE22 GLN 100 48.149 47.050 70.241 821 HE22 GLN 100 HE21 GLN 100 46.488 47.506 69.847 822 H ASP 101 H ASP 101 46.796 44.221 69.184 823 HA ASP 101 HA ASP 101 48.377 42.796 71.301 824 HB2 ASP 101 HB2 ASP 101 46.842 45.361 71.551 825 HB3 ASP 101 HB3 ASP 101 47.060 44.315 72.933
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