NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
1416 | 1ak7 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR -8 2H THR -8 -0.347 0.538 -0.820 2 2H THR -8 3H THR -8 0.329 -0.936 -0.312 3 3H THR -8 1H THR -8 -0.769 -0.118 0.689 4 HA THR -8 HA THR -8 1.333 0.316 1.607 5 HB THR -8 HB THR -8 2.821 1.589 -0.378 6 HG1 THR -8 HG1 THR -8 1.856 -0.852 -1.414 7 1HG2 THR -8 1HG2 THR -8 2.910 -1.262 0.645 8 2HG2 THR -8 2HG2 THR -8 4.216 -0.489 -0.254 9 3HG2 THR -8 3HG2 THR -8 3.748 0.131 1.329 10 H MET -7 H MET -7 -0.784 1.783 1.971 11 HA MET -7 HA MET -7 -0.157 4.545 1.014 12 1HB MET -7 1HB MET -7 -2.657 3.078 1.489 13 2HB MET -7 2HB MET -7 -2.639 4.683 2.220 14 1HG MET -7 1HG MET -7 -1.856 4.156 -0.659 15 2HG MET -7 2HG MET -7 -3.483 4.626 -0.166 16 1HE MET -7 3HE MET -7 -3.470 6.367 -1.711 17 2HE MET -7 1HE MET -7 -2.691 7.948 -1.564 18 3HE MET -7 2HE MET -7 -1.816 6.593 -2.271 19 H ILE -6 H ILE -6 0.637 5.946 2.497 20 HA ILE -6 HA ILE -6 0.482 5.175 5.376 21 HB ILE -6 HB ILE -6 2.349 6.899 5.592 22 1HG1 ILE -6 1HG1 ILE -6 2.820 6.599 2.661 23 2HG1 ILE -6 2HG1 ILE -6 1.566 7.737 3.152 24 1HG2 ILE -6 1HG2 ILE -6 2.421 4.256 4.285 25 2HG2 ILE -6 2HG2 ILE -6 3.850 5.245 3.985 26 3HG2 ILE -6 3HG2 ILE -6 3.371 4.866 5.639 27 1HD1 ILE -6 2HD1 ILE -6 4.196 7.829 4.576 28 2HD1 ILE -6 3HD1 ILE -6 4.098 8.509 2.952 29 3HD1 ILE -6 1HD1 ILE -6 3.061 9.135 4.234 30 H THR -5 H THR -5 0.380 7.205 6.872 31 HA THR -5 HA THR -5 -0.987 9.529 5.741 32 HB THR -5 HB THR -5 -2.575 8.131 7.847 33 HG1 THR -5 HG1 THR -5 -2.209 6.487 6.364 34 1HG2 THR -5 2HG2 THR -5 -2.832 10.393 6.224 35 2HG2 THR -5 3HG2 THR -5 -3.947 9.216 5.532 36 3HG2 THR -5 1HG2 THR -5 -4.089 9.674 7.229 37 HA PRO -4 HA PRO -4 1.342 10.236 9.668 38 1HB PRO -4 1HB PRO -4 3.131 12.013 8.569 39 2HB PRO -4 2HB PRO -4 3.405 10.263 8.636 40 1HG PRO -4 1HG PRO -4 2.672 11.959 6.297 41 2HG PRO -4 2HG PRO -4 3.524 10.406 6.334 42 1HD PRO -4 1HD PRO -4 0.796 10.797 5.665 43 2HD PRO -4 2HD PRO -4 1.583 9.239 5.998 44 H SER -3 H SER -3 2.045 12.747 10.329 45 HA SER -3 HA SER -3 -0.466 14.195 10.385 46 1HB SER -3 1HB SER -3 2.078 15.573 11.096 47 2HB SER -3 2HB SER -3 0.548 15.526 11.966 48 HG SER -3 HG SER -3 1.139 13.719 12.921 49 H SER -2 H SER -2 0.503 16.878 10.110 50 HA SER -2 HA SER -2 1.470 17.070 7.320 51 1HB SER -2 1HB SER -2 -0.504 18.818 7.035 52 2HB SER -2 2HB SER -2 -0.767 17.106 6.718 53 HG SER -2 HG SER -2 -2.218 17.229 8.223 54 H GLY -1 H GLY -1 3.277 17.914 8.654 55 1HA GLY -1 1HA GLY -1 3.246 20.810 8.731 56 2HA GLY -1 2HA GLY -1 3.268 20.117 10.357 57 H ASN 0 H ASN 0 5.045 18.651 10.894 58 HA ASN 0 HA ASN 0 7.556 19.494 9.609 59 1HB ASN 0 1HB ASN 0 8.637 18.689 11.492 60 2HB ASN 0 2HB ASN 0 7.045 19.002 12.185 61 1HD2 ASN 0 2HD2 ASN 0 8.375 15.310 12.482 62 2HD2 ASN 0 1HD2 ASN 0 9.331 16.708 12.367 63 H SER 1 H SER 1 5.243 17.106 9.081 64 HA SER 1 HA SER 1 6.959 14.885 8.400 65 1HB SER 1 1HB SER 1 5.001 14.001 7.218 66 2HB SER 1 2HB SER 1 4.507 14.650 8.778 67 HG SER 1 HG SER 1 3.110 15.559 7.402 68 H ALA 2 H ALA 2 5.574 17.595 6.576 69 HA ALA 2 HA ALA 2 7.246 16.826 4.231 70 1HB ALA 2 3HB ALA 2 4.642 18.064 4.549 71 2HB ALA 2 1HB ALA 2 5.708 19.102 3.602 72 3HB ALA 2 2HB ALA 2 5.401 17.444 3.083 73 H SER 3 H SER 3 8.047 18.124 6.854 74 HA SER 3 HA SER 3 9.897 19.537 7.304 75 1HB SER 3 1HB SER 3 11.003 20.600 5.617 76 2HB SER 3 2HB SER 3 9.992 19.581 4.598 77 HG SER 3 HG SER 3 9.567 22.272 5.380 78 H GLY 4 H GLY 4 8.983 20.584 9.009 79 1HA GLY 4 1HA GLY 4 7.673 23.176 8.438 80 2HA GLY 4 2HA GLY 4 6.774 22.025 9.429 81 H VAL 5 H VAL 5 10.271 22.412 9.489 82 HA VAL 5 HA VAL 5 10.191 22.853 12.379 83 HB VAL 5 HB VAL 5 12.218 21.936 12.308 84 1HG1 VAL 5 1HG1 VAL 5 11.336 20.818 10.273 85 2HG1 VAL 5 2HG1 VAL 5 12.102 22.077 9.299 86 3HG1 VAL 5 3HG1 VAL 5 13.093 20.988 10.271 87 1HG2 VAL 5 3HG2 VAL 5 12.884 24.257 10.499 88 2HG2 VAL 5 1HG2 VAL 5 13.220 24.101 12.225 89 3HG2 VAL 5 2HG2 VAL 5 14.091 23.101 11.060 90 H GLN 6 H GLN 6 11.758 24.644 13.196 91 HA GLN 6 HA GLN 6 11.711 27.086 11.575 92 1HB GLN 6 1HB GLN 6 10.306 28.284 13.218 93 2HB GLN 6 2HB GLN 6 9.442 26.918 12.488 94 1HG GLN 6 1HG GLN 6 10.784 25.702 14.493 95 2HG GLN 6 2HG GLN 6 10.402 27.266 15.227 96 1HE2 GLN 6 2HE2 GLN 6 7.249 24.952 13.989 97 2HE2 GLN 6 1HE2 GLN 6 8.702 24.887 13.123 98 H VAL 7 H VAL 7 13.928 25.630 12.986 99 HA VAL 7 HA VAL 7 15.692 26.067 14.491 100 HB VAL 7 HB VAL 7 16.645 27.802 13.536 101 1HG1 VAL 7 1HG1 VAL 7 14.680 27.663 11.958 102 2HG1 VAL 7 2HG1 VAL 7 13.985 29.025 12.841 103 3HG1 VAL 7 3HG1 VAL 7 15.522 29.212 11.998 104 1HG2 VAL 7 3HG2 VAL 7 14.806 29.308 15.388 105 2HG2 VAL 7 1HG2 VAL 7 16.557 29.117 15.473 106 3HG2 VAL 7 2HG2 VAL 7 15.842 30.183 14.271 107 H ALA 8 H ALA 8 15.930 25.916 16.435 108 HA ALA 8 HA ALA 8 13.904 26.264 18.414 109 1HB ALA 8 2HB ALA 8 16.549 25.211 18.041 110 2HB ALA 8 3HB ALA 8 16.462 26.060 19.587 111 3HB ALA 8 1HB ALA 8 15.346 24.742 19.243 112 H ASP 9 H ASP 9 16.018 28.526 17.062 113 HA ASP 9 HA ASP 9 16.267 30.829 17.652 114 1HB ASP 9 1HB ASP 9 15.537 30.141 20.490 115 2HB ASP 9 2HB ASP 9 15.472 31.705 19.686 116 H GLU 10 H GLU 10 17.081 28.321 20.049 117 HA GLU 10 HA GLU 10 19.520 29.511 20.949 118 1HB GLU 10 1HB GLU 10 19.206 27.723 22.333 119 2HB GLU 10 2HB GLU 10 18.140 26.931 21.179 120 1HG GLU 10 1HG GLU 10 19.917 25.415 21.280 121 2HG GLU 10 2HG GLU 10 20.394 26.399 19.898 122 H VAL 11 H VAL 11 18.467 28.001 18.067 123 HA VAL 11 HA VAL 11 21.103 27.314 17.082 124 HB VAL 11 HB VAL 11 19.796 26.034 15.810 125 1HG1 VAL 11 2HG1 VAL 11 17.638 28.007 16.456 126 2HG1 VAL 11 3HG1 VAL 11 17.365 26.656 15.360 127 3HG1 VAL 11 1HG1 VAL 11 17.814 26.347 17.046 128 1HG2 VAL 11 3HG2 VAL 11 20.650 27.646 14.158 129 2HG2 VAL 11 1HG2 VAL 11 19.051 27.060 13.697 130 3HG2 VAL 11 2HG2 VAL 11 19.227 28.658 14.422 131 H CYS 12 H CYS 12 18.904 29.931 16.918 132 HA CYS 12 HA CYS 12 20.425 31.438 14.975 133 1HB CYS 12 1HB CYS 12 18.207 32.263 15.489 134 2HB CYS 12 2HB CYS 12 18.557 32.293 17.219 135 HG CYS 12 HG CYS 12 18.910 34.727 16.393 136 H ARG 13 H ARG 13 21.140 30.194 18.030 137 HA ARG 13 HA ARG 13 23.197 32.280 18.551 138 1HB ARG 13 1HB ARG 13 22.472 30.075 20.462 139 2HB ARG 13 2HB ARG 13 23.194 31.645 20.810 140 1HG ARG 13 1HG ARG 13 20.363 31.271 19.780 141 2HG ARG 13 2HG ARG 13 20.771 31.480 21.483 142 1HD ARG 13 1HD ARG 13 21.961 33.632 20.796 143 2HD ARG 13 2HD ARG 13 21.175 33.453 19.227 144 HE ARG 13 HE ARG 13 19.031 33.811 20.310 145 1HH1 ARG 13 1HH1 ARG 13 20.333 32.638 22.954 146 2HH1 ARG 13 2HH1 ARG 13 20.145 34.017 23.984 147 1HH2 ARG 13 1HH2 ARG 13 19.405 36.191 21.387 148 2HH2 ARG 13 2HH2 ARG 13 19.619 36.027 23.098 149 H ILE 14 H ILE 14 22.517 29.005 17.638 150 HA ILE 14 HA ILE 14 25.037 27.854 18.298 151 HB ILE 14 HB ILE 14 23.203 27.283 15.948 152 1HG1 ILE 14 1HG1 ILE 14 23.472 25.512 18.357 153 2HG1 ILE 14 2HG1 ILE 14 22.332 26.865 18.357 154 1HG2 ILE 14 2HG2 ILE 14 25.792 26.204 16.802 155 2HG2 ILE 14 3HG2 ILE 14 24.560 24.929 16.546 156 3HG2 ILE 14 1HG2 ILE 14 24.973 26.070 15.245 157 1HD1 ILE 14 1HD1 ILE 14 21.660 25.938 15.983 158 2HD1 ILE 14 2HD1 ILE 14 22.380 24.442 16.564 159 3HD1 ILE 14 3HD1 ILE 14 21.011 25.151 17.419 160 H PHE 15 H PHE 15 23.836 29.169 15.211 161 HA PHE 15 HA PHE 15 26.363 29.217 13.897 162 1HB PHE 15 1HB PHE 15 24.746 29.763 12.356 163 2HB PHE 15 2HB PHE 15 23.723 30.546 13.567 164 HD1 PHE 15 HD2 PHE 15 26.691 30.992 11.376 165 HD2 PHE 15 HD1 PHE 15 23.890 32.872 14.028 166 HE1 PHE 15 HE2 PHE 15 27.512 33.221 10.661 167 HE2 PHE 15 HE1 PHE 15 24.706 35.092 13.320 168 HZ PHE 15 HZ PHE 15 26.516 35.276 11.631 169 H TYR 16 H TYR 16 24.624 31.680 15.738 170 HA TYR 16 HA TYR 16 26.300 33.846 15.908 171 1HB TYR 16 1HB TYR 16 24.749 32.337 17.968 172 2HB TYR 16 2HB TYR 16 25.705 33.726 18.458 173 HD1 TYR 16 HD1 TYR 16 24.759 34.333 15.155 174 HD2 TYR 16 HD2 TYR 16 23.142 34.254 19.124 175 HE1 TYR 16 HE1 TYR 16 22.936 35.842 14.433 176 HE2 TYR 16 HE2 TYR 16 21.314 35.758 18.409 177 HH TYR 16 HH TYR 16 20.879 36.659 15.027 178 H ASP 17 H ASP 17 26.805 30.662 17.479 179 HA ASP 17 HA ASP 17 29.252 31.841 18.727 180 1HB ASP 17 1HB ASP 17 27.652 29.331 19.235 181 2HB ASP 17 2HB ASP 17 29.255 29.556 19.932 182 H MET 18 H MET 18 30.322 28.944 18.754 183 HA MET 18 HA MET 18 32.024 27.963 17.465 184 1HB MET 18 1HB MET 18 30.767 27.336 15.195 185 2HB MET 18 2HB MET 18 30.570 26.490 16.683 186 1HG MET 18 1HG MET 18 28.807 28.854 16.029 187 2HG MET 18 2HG MET 18 28.408 27.238 15.506 188 1HE MET 18 3HE MET 18 29.096 25.583 16.599 189 2HE MET 18 1HE MET 18 28.635 25.104 18.248 190 3HE MET 18 2HE MET 18 27.398 25.394 17.035 191 H LYS 19 H LYS 19 31.758 30.971 17.045 192 HA LYS 19 HA LYS 19 32.477 31.368 14.239 193 1HB LYS 19 1HB LYS 19 32.220 33.208 16.626 194 2HB LYS 19 2HB LYS 19 32.808 33.771 15.063 195 1HG LYS 19 1HG LYS 19 30.100 32.559 15.671 196 2HG LYS 19 2HG LYS 19 30.438 34.209 15.156 197 1HD LYS 19 1HD LYS 19 31.627 32.806 13.146 198 2HD LYS 19 2HD LYS 19 30.289 31.731 13.551 199 1HE LYS 19 1HE LYS 19 29.384 33.207 11.935 200 2HE LYS 19 2HE LYS 19 28.809 33.840 13.477 201 1HZ LYS 19 1HZ LYS 19 31.066 35.159 13.312 202 2HZ LYS 19 2HZ LYS 19 30.811 34.928 11.648 203 3HZ LYS 19 3HZ LYS 19 29.645 35.732 12.585 204 H VAL 20 H VAL 20 34.282 33.381 16.349 205 HA VAL 20 HA VAL 20 36.667 31.650 16.140 206 HB VAL 20 HB VAL 20 36.639 33.042 14.166 207 1HG1 VAL 20 1HG1 VAL 20 35.800 35.094 16.083 208 2HG1 VAL 20 2HG1 VAL 20 37.025 35.647 14.941 209 3HG1 VAL 20 3HG1 VAL 20 35.505 34.979 14.348 210 1HG2 VAL 20 1HG2 VAL 20 38.679 33.252 16.248 211 2HG2 VAL 20 2HG2 VAL 20 38.874 32.970 14.519 212 3HG2 VAL 20 3HG2 VAL 20 38.720 34.616 15.132 213 H ARG 21 H ARG 21 37.510 34.817 16.925 214 HA ARG 21 HA ARG 21 38.036 34.082 19.679 215 1HB ARG 21 1HB ARG 21 38.478 36.577 18.042 216 2HB ARG 21 2HB ARG 21 38.757 36.570 19.783 217 1HG ARG 21 1HG ARG 21 39.990 34.523 17.929 218 2HG ARG 21 2HG ARG 21 40.792 36.038 18.344 219 1HD ARG 21 1HD ARG 21 40.274 35.320 20.816 220 2HD ARG 21 2HD ARG 21 40.124 33.707 20.118 221 HE ARG 21 HE ARG 21 42.517 34.473 19.108 222 1HH1 ARG 21 1HH1 ARG 21 41.229 33.811 22.177 223 2HH1 ARG 21 2HH1 ARG 21 42.695 34.144 23.037 224 1HH2 ARG 21 1HH2 ARG 21 44.378 35.319 20.242 225 2HH2 ARG 21 2HH2 ARG 21 44.480 34.995 21.941 226 H LYS 22 H LYS 22 35.228 34.991 18.233 227 HA LYS 22 HA LYS 22 34.123 37.079 19.721 228 1HB LYS 22 1HB LYS 22 33.133 35.014 18.066 229 2HB LYS 22 2HB LYS 22 32.217 34.911 19.570 230 1HG LYS 22 1HG LYS 22 31.601 37.254 19.424 231 2HG LYS 22 2HG LYS 22 32.644 37.482 18.020 232 1HD LYS 22 1HD LYS 22 31.065 35.374 17.221 233 2HD LYS 22 2HD LYS 22 29.938 36.336 18.177 234 1HE LYS 22 1HE LYS 22 31.616 37.982 16.433 235 2HE LYS 22 2HE LYS 22 30.636 36.822 15.535 236 1HZ LYS 22 1HZ LYS 22 28.738 37.621 16.998 237 2HZ LYS 22 2HZ LYS 22 29.740 38.933 17.398 238 3HZ LYS 22 3HZ LYS 22 29.275 38.677 15.784 239 H CYS 23 H CYS 23 35.100 33.939 20.822 240 HA CYS 23 HA CYS 23 33.543 33.512 23.098 241 1HB CYS 23 1HB CYS 23 36.491 33.219 23.423 242 2HB CYS 23 2HB CYS 23 35.182 32.156 23.965 243 HG CYS 23 HG CYS 23 36.391 32.208 21.090 244 H SER 24 H SER 24 32.903 35.048 24.491 245 HA SER 24 HA SER 24 33.792 37.519 25.226 246 1HB SER 24 1HB SER 24 32.364 35.391 26.472 247 2HB SER 24 2HB SER 24 33.565 35.941 27.650 248 HG SER 24 HG SER 24 32.724 38.010 27.498 249 H THR 25 H THR 25 34.730 34.703 26.781 250 HA THR 25 HA THR 25 37.596 35.141 26.626 251 HB THR 25 HB THR 25 36.517 36.066 28.899 252 HG1 THR 25 HG1 THR 25 38.782 34.444 28.518 253 1HG2 THR 25 2HG2 THR 25 36.722 33.089 29.305 254 2HG2 THR 25 3HG2 THR 25 36.397 34.277 30.574 255 3HG2 THR 25 1HG2 THR 25 35.222 34.035 29.273 256 HA PRO 26 HA PRO 26 36.245 31.176 25.285 257 1HB PRO 26 1HB PRO 26 38.755 30.186 24.670 258 2HB PRO 26 2HB PRO 26 37.827 31.294 23.642 259 1HG PRO 26 1HG PRO 26 40.145 31.889 25.446 260 2HG PRO 26 2HG PRO 26 39.681 32.664 23.920 261 1HD PRO 26 1HD PRO 26 39.168 33.746 26.452 262 2HD PRO 26 2HD PRO 26 38.271 34.164 24.976 263 H GLU 27 H GLU 27 38.108 31.738 28.063 264 HA GLU 27 HA GLU 27 38.762 28.993 28.774 265 1HB GLU 27 1HB GLU 27 39.072 31.663 29.893 266 2HB GLU 27 2HB GLU 27 38.646 30.471 31.123 267 1HG GLU 27 1HG GLU 27 40.476 29.044 29.747 268 2HG GLU 27 2HG GLU 27 41.099 30.669 29.452 269 H GLU 28 H GLU 28 35.909 30.721 28.662 270 HA GLU 28 HA GLU 28 34.584 28.776 30.488 271 1HB GLU 28 1HB GLU 28 32.958 30.535 31.121 272 2HB GLU 28 2HB GLU 28 34.597 31.019 31.560 273 1HG GLU 28 1HG GLU 28 34.735 32.266 29.383 274 2HG GLU 28 2HG GLU 28 33.020 31.925 29.141 275 H ILE 29 H ILE 29 34.652 30.723 27.688 276 HA ILE 29 HA ILE 29 32.317 30.193 26.375 277 HB ILE 29 HB ILE 29 34.887 31.163 25.978 278 1HG1 ILE 29 1HG1 ILE 29 33.313 32.067 23.964 279 2HG1 ILE 29 2HG1 ILE 29 32.122 31.569 25.155 280 1HG2 ILE 29 2HG2 ILE 29 33.713 29.258 24.004 281 2HG2 ILE 29 3HG2 ILE 29 34.949 30.433 23.567 282 3HG2 ILE 29 1HG2 ILE 29 35.299 29.212 24.788 283 1HD1 ILE 29 1HD1 ILE 29 33.588 32.714 26.877 284 2HD1 ILE 29 2HD1 ILE 29 34.366 33.498 25.504 285 3HD1 ILE 29 3HD1 ILE 29 32.646 33.749 25.798 286 H LYS 30 H LYS 30 35.224 28.489 26.826 287 HA LYS 30 HA LYS 30 35.047 26.355 25.024 288 1HB LYS 30 1HB LYS 30 36.844 25.564 26.227 289 2HB LYS 30 2HB LYS 30 36.731 27.120 27.033 290 1HG LYS 30 1HG LYS 30 35.245 26.145 28.741 291 2HG LYS 30 2HG LYS 30 35.388 24.569 27.972 292 1HD LYS 30 1HD LYS 30 38.019 25.230 28.239 293 2HD LYS 30 2HD LYS 30 37.336 26.035 29.650 294 1HE LYS 30 1HE LYS 30 36.441 23.992 30.508 295 2HE LYS 30 2HE LYS 30 36.726 23.147 28.987 296 1HZ LYS 30 1HZ LYS 30 39.159 23.670 29.380 297 2HZ LYS 30 2HZ LYS 30 38.718 24.072 30.971 298 3HZ LYS 30 3HZ LYS 30 38.463 22.497 30.389 299 H LYS 31 H LYS 31 33.612 26.930 28.067 300 HA LYS 31 HA LYS 31 31.985 24.423 27.869 301 1HB LYS 31 1HB LYS 31 33.517 25.228 29.972 302 2HB LYS 31 2HB LYS 31 31.973 25.966 30.404 303 1HG LYS 31 1HG LYS 31 30.854 23.886 30.432 304 2HG LYS 31 2HG LYS 31 32.139 23.087 29.525 305 1HD LYS 31 1HD LYS 31 33.122 24.287 31.997 306 2HD LYS 31 2HD LYS 31 31.862 23.089 32.293 307 1HE LYS 31 1HE LYS 31 34.234 22.577 30.483 308 2HE LYS 31 2HE LYS 31 34.219 22.154 32.196 309 1HZ LYS 31 2HZ LYS 31 31.880 21.147 31.321 310 2HZ LYS 31 3HZ LYS 31 32.888 20.889 29.978 311 3HZ LYS 31 1HZ LYS 31 33.316 20.254 31.491 312 H ARG 32 H ARG 32 31.390 26.777 26.367 313 HA ARG 32 HA ARG 32 28.919 27.753 27.721 314 1HB ARG 32 1HB ARG 32 31.035 29.054 26.135 315 2HB ARG 32 2HB ARG 32 29.380 29.552 25.755 316 1HG ARG 32 1HG ARG 32 28.958 30.365 27.905 317 2HG ARG 32 2HG ARG 32 30.194 29.343 28.637 318 1HD ARG 32 1HD ARG 32 31.917 30.757 28.055 319 2HD ARG 32 2HD ARG 32 31.051 31.402 26.661 320 HE ARG 32 HE ARG 32 30.875 33.140 28.386 321 1HH1 ARG 32 1HH2 ARG 32 28.073 32.749 28.236 322 2HH1 ARG 32 2HH2 ARG 32 27.592 32.240 29.820 323 1HH2 ARG 32 1HH1 ARG 32 30.799 31.366 30.806 324 2HH2 ARG 32 2HH1 ARG 32 29.134 31.461 31.274 325 H LYS 33 H LYS 33 29.752 25.570 25.566 326 HA LYS 33 HA LYS 33 28.512 24.473 23.871 327 1HB LYS 33 1HB LYS 33 26.570 26.202 25.139 328 2HB LYS 33 2HB LYS 33 26.323 26.211 23.393 329 1HG LYS 33 1HG LYS 33 26.077 23.836 23.318 330 2HG LYS 33 2HG LYS 33 26.688 23.652 24.961 331 1HD LYS 33 1HD LYS 33 24.620 23.915 25.812 332 2HD LYS 33 2HD LYS 33 24.426 25.448 24.961 333 1HE LYS 33 1HE LYS 33 23.339 24.478 23.175 334 2HE LYS 33 2HE LYS 33 24.197 22.948 23.349 335 1HZ LYS 33 1HZ LYS 33 22.663 23.393 25.655 336 2HZ LYS 33 2HZ LYS 33 21.660 23.612 24.302 337 3HZ LYS 33 3HZ LYS 33 22.508 22.153 24.509 338 H LYS 34 H LYS 34 30.067 24.953 22.283 339 HA LYS 34 HA LYS 34 29.399 27.297 20.570 340 1HB LYS 34 1HB LYS 34 32.245 26.733 20.529 341 2HB LYS 34 2HB LYS 34 31.414 28.261 20.782 342 1HG LYS 34 1HG LYS 34 31.651 26.160 22.950 343 2HG LYS 34 2HG LYS 34 32.820 27.466 22.750 344 1HD LYS 34 1HD LYS 34 29.950 28.243 22.789 345 2HD LYS 34 2HD LYS 34 30.643 27.717 24.321 346 1HE LYS 34 1HE LYS 34 31.954 29.574 24.492 347 2HE LYS 34 2HE LYS 34 32.309 29.596 22.765 348 1HZ LYS 34 1HZ LYS 34 29.566 30.128 23.219 349 2HZ LYS 34 2HZ LYS 34 30.522 31.203 24.123 350 3HZ LYS 34 3HZ LYS 34 30.725 31.091 22.440 351 H ALA 35 H ALA 35 29.604 24.068 20.717 352 HA ALA 35 HA ALA 35 29.854 23.787 17.806 353 1HB ALA 35 3HB ALA 35 31.431 22.430 19.911 354 2HB ALA 35 1HB ALA 35 30.761 21.365 18.674 355 3HB ALA 35 2HB ALA 35 31.845 22.695 18.225 356 H VAL 36 H VAL 36 28.235 22.088 17.189 357 HA VAL 36 HA VAL 36 26.723 20.772 19.276 358 HB VAL 36 HB VAL 36 24.699 22.273 18.490 359 1HG1 VAL 36 3HG1 VAL 36 26.065 21.978 20.819 360 2HG1 VAL 36 1HG1 VAL 36 26.393 23.674 20.477 361 3HG1 VAL 36 2HG1 VAL 36 24.725 23.107 20.624 362 1HG2 VAL 36 2HG2 VAL 36 26.262 23.536 16.957 363 2HG2 VAL 36 3HG2 VAL 36 25.340 24.537 18.094 364 3HG2 VAL 36 1HG2 VAL 36 27.027 24.169 18.424 365 H ILE 37 H ILE 37 24.916 19.612 18.572 366 HA ILE 37 HA ILE 37 24.520 19.412 15.648 367 HB ILE 37 HB ILE 37 24.320 17.361 17.862 368 1HG1 ILE 37 1HG1 ILE 37 25.328 16.484 15.268 369 2HG1 ILE 37 2HG1 ILE 37 26.265 17.840 15.894 370 1HG2 ILE 37 3HG2 ILE 37 22.973 17.498 15.170 371 2HG2 ILE 37 1HG2 ILE 37 23.171 15.979 16.051 372 3HG2 ILE 37 2HG2 ILE 37 22.232 17.297 16.765 373 1HD1 ILE 37 2HD1 ILE 37 26.552 16.627 18.052 374 2HD1 ILE 37 3HD1 ILE 37 25.675 15.246 17.390 375 3HD1 ILE 37 1HD1 ILE 37 27.229 15.718 16.704 376 H PHE 38 H PHE 38 22.096 19.031 15.241 377 HA PHE 38 HA PHE 38 20.446 19.628 17.564 378 1HB PHE 38 1HB PHE 38 20.746 21.506 15.245 379 2HB PHE 38 2HB PHE 38 19.152 21.316 16.009 380 HD1 PHE 38 HD2 PHE 38 22.826 21.985 17.037 381 HD2 PHE 38 HD1 PHE 38 18.636 22.627 17.787 382 HE1 PHE 38 HE2 PHE 38 23.372 23.523 18.885 383 HE2 PHE 38 HE1 PHE 38 19.189 24.219 19.578 384 HZ PHE 38 HZ PHE 38 21.566 24.647 20.156 385 H CYS 39 H CYS 39 17.883 19.706 16.514 386 HA CYS 39 HA CYS 39 17.843 17.887 14.242 387 1HB CYS 39 1HB CYS 39 16.313 16.893 16.599 388 2HB CYS 39 2HB CYS 39 17.000 15.995 15.252 389 HG CYS 39 HG CYS 39 18.460 15.586 17.427 390 H LEU 40 H LEU 40 15.418 18.529 16.800 391 HA LEU 40 HA LEU 40 13.841 20.195 15.000 392 1HB LEU 40 1HB LEU 40 13.103 17.325 15.444 393 2HB LEU 40 2HB LEU 40 11.885 18.520 14.999 394 HG LEU 40 HG LEU 40 14.345 17.725 13.435 395 1HD1 LEU 40 2HD1 LEU 40 11.393 17.667 12.793 396 2HD1 LEU 40 3HD1 LEU 40 12.690 17.233 11.678 397 3HD1 LEU 40 1HD1 LEU 40 12.420 16.270 13.126 398 1HD2 LEU 40 2HD2 LEU 40 13.993 20.218 13.489 399 2HD2 LEU 40 3HD2 LEU 40 13.803 19.516 11.875 400 3HD2 LEU 40 1HD2 LEU 40 12.377 19.951 12.823 401 H SER 41 H SER 41 12.354 18.059 17.405 402 HA SER 41 HA SER 41 12.257 20.047 19.480 403 1HB SER 41 1HB SER 41 10.082 20.148 17.412 404 2HB SER 41 2HB SER 41 9.711 20.530 19.087 405 HG SER 41 HG SER 41 10.357 22.350 17.782 406 H ALA 42 H ALA 42 9.957 19.627 20.774 407 HA ALA 42 HA ALA 42 10.031 16.863 21.585 408 1HB ALA 42 3HB ALA 42 8.343 19.251 22.193 409 2HB ALA 42 1HB ALA 42 7.612 17.674 22.495 410 3HB ALA 42 2HB ALA 42 9.117 18.118 23.300 411 H ASP 43 H ASP 43 7.665 18.798 19.736 412 HA ASP 43 HA ASP 43 6.422 16.322 18.703 413 1HB ASP 43 1HB ASP 43 5.098 18.426 19.330 414 2HB ASP 43 2HB ASP 43 5.790 19.169 17.887 415 H LYS 44 H LYS 44 9.110 18.094 18.094 416 HA LYS 44 HA LYS 44 10.664 17.949 16.379 417 1HB LYS 44 1HB LYS 44 8.757 15.921 15.684 418 2HB LYS 44 2HB LYS 44 9.252 16.774 14.224 419 1HG LYS 44 1HG LYS 44 10.737 14.836 14.790 420 2HG LYS 44 2HG LYS 44 11.591 16.377 14.726 421 1HD LYS 44 1HD LYS 44 12.348 15.908 16.799 422 2HD LYS 44 2HD LYS 44 10.706 16.223 17.361 423 1HE LYS 44 1HE LYS 44 10.415 13.676 16.485 424 2HE LYS 44 2HE LYS 44 12.109 13.636 16.973 425 1HZ LYS 44 2HZ LYS 44 10.175 14.883 18.784 426 2HZ LYS 44 3HZ LYS 44 10.190 13.188 18.681 427 3HZ LYS 44 1HZ LYS 44 11.594 14.020 19.142 428 H LYS 45 H LYS 45 10.975 19.924 15.810 429 HA LYS 45 HA LYS 45 9.809 21.038 13.439 430 1HB LYS 45 1HB LYS 45 8.967 21.803 16.208 431 2HB LYS 45 2HB LYS 45 9.011 23.059 14.957 432 1HG LYS 45 1HG LYS 45 7.743 21.047 13.635 433 2HG LYS 45 2HG LYS 45 7.175 20.775 15.281 434 1HD LYS 45 1HD LYS 45 6.742 23.346 15.303 435 2HD LYS 45 2HD LYS 45 6.831 23.211 13.548 436 1HE LYS 45 1HE LYS 45 5.172 21.139 14.090 437 2HE LYS 45 2HE LYS 45 4.750 22.226 15.414 438 1HZ LYS 45 1HZ LYS 45 4.868 23.048 12.566 439 2HZ LYS 45 2HZ LYS 45 3.440 22.584 13.361 440 3HZ LYS 45 3HZ LYS 45 4.289 23.964 13.870 441 H CYS 46 H CYS 46 10.541 23.569 15.422 442 HA CYS 46 HA CYS 46 12.652 24.846 14.618 443 1HB CYS 46 1HB CYS 46 12.376 23.736 17.406 444 2HB CYS 46 2HB CYS 46 13.720 24.809 16.962 445 HG CYS 46 HG CYS 46 11.805 26.594 16.254 446 H ILE 47 H ILE 47 14.857 24.579 14.146 447 HA ILE 47 HA ILE 47 16.071 21.990 14.080 448 HB ILE 47 HB ILE 47 16.813 24.599 13.379 449 1HG1 ILE 47 1HG1 ILE 47 19.101 23.417 12.913 450 2HG1 ILE 47 2HG1 ILE 47 18.281 21.960 13.513 451 1HG2 ILE 47 1HG2 ILE 47 17.390 24.860 15.788 452 2HG2 ILE 47 2HG2 ILE 47 18.624 23.607 15.579 453 3HG2 ILE 47 3HG2 ILE 47 18.751 25.125 14.676 454 1HD1 ILE 47 2HD1 ILE 47 16.364 22.745 11.892 455 2HD1 ILE 47 3HD1 ILE 47 17.676 23.635 11.103 456 3HD1 ILE 47 1HD1 ILE 47 17.775 21.864 11.258 457 H ILE 48 H ILE 48 16.843 20.885 15.978 458 HA ILE 48 HA ILE 48 16.648 22.452 18.538 459 HB ILE 48 HB ILE 48 14.897 20.608 17.451 460 1HG1 ILE 48 1HG1 ILE 48 13.870 20.819 19.808 461 2HG1 ILE 48 2HG1 ILE 48 15.272 21.826 20.186 462 1HG2 ILE 48 2HG2 ILE 48 16.547 18.850 18.321 463 2HG2 ILE 48 3HG2 ILE 48 16.098 19.380 19.943 464 3HG2 ILE 48 1HG2 ILE 48 14.882 18.696 18.872 465 1HD1 ILE 48 1HD1 ILE 48 14.458 22.704 17.701 466 2HD1 ILE 48 2HD1 ILE 48 12.946 22.448 18.579 467 3HD1 ILE 48 3HD1 ILE 48 14.163 23.528 19.234 468 H VAL 49 H VAL 49 17.146 20.953 20.443 469 HA VAL 49 HA VAL 49 19.596 19.416 19.754 470 HB VAL 49 HB VAL 49 18.807 20.655 22.427 471 1HG1 VAL 49 3HG1 VAL 49 20.080 18.276 22.197 472 2HG1 VAL 49 1HG1 VAL 49 21.462 19.352 21.982 473 3HG1 VAL 49 2HG1 VAL 49 20.496 19.445 23.453 474 1HG2 VAL 49 1HG2 VAL 49 20.186 21.699 20.198 475 2HG2 VAL 49 2HG2 VAL 49 20.129 22.399 21.819 476 3HG2 VAL 49 3HG2 VAL 49 21.438 21.296 21.373 477 H GLU 50 H GLU 50 18.295 17.586 19.166 478 HA GLU 50 HA GLU 50 16.110 16.693 20.837 479 1HB GLU 50 1HB GLU 50 16.557 16.264 18.308 480 2HB GLU 50 2HB GLU 50 17.454 14.869 18.908 481 1HG GLU 50 1HG GLU 50 15.185 14.657 20.386 482 2HG GLU 50 2HG GLU 50 14.535 15.402 18.925 483 H GLU 51 H GLU 51 19.127 16.700 21.764 484 HA GLU 51 HA GLU 51 18.672 14.635 23.664 485 1HB GLU 51 1HB GLU 51 19.985 12.916 22.695 486 2HB GLU 51 2HB GLU 51 18.985 13.571 21.385 487 1HG GLU 51 1HG GLU 51 20.772 14.190 20.212 488 2HG GLU 51 2HG GLU 51 21.447 15.061 21.584 489 H GLY 52 H GLY 52 21.694 14.101 23.453 490 1HA GLY 52 1HA GLY 52 22.560 16.680 24.661 491 2HA GLY 52 2HA GLY 52 23.043 15.118 25.319 492 H LYS 53 H LYS 53 23.016 16.347 21.930 493 HA LYS 53 HA LYS 53 25.617 15.167 21.419 494 1HB LYS 53 1HB LYS 53 24.494 17.407 19.748 495 2HB LYS 53 2HB LYS 53 25.298 15.933 19.224 496 1HG LYS 53 1HG LYS 53 22.941 15.096 20.484 497 2HG LYS 53 2HG LYS 53 22.474 16.480 19.495 498 1HD LYS 53 1HD LYS 53 22.331 14.561 18.037 499 2HD LYS 53 2HD LYS 53 23.836 15.374 17.603 500 1HE LYS 53 1HE LYS 53 24.911 13.502 18.071 501 2HE LYS 53 2HE LYS 53 24.496 13.733 19.761 502 1HZ LYS 53 2HZ LYS 53 22.296 12.669 19.162 503 2HZ LYS 53 3HZ LYS 53 23.034 12.163 17.722 504 3HZ LYS 53 1HZ LYS 53 23.641 11.636 19.216 505 H GLU 54 H GLU 54 26.206 17.783 19.953 506 HA GLU 54 HA GLU 54 27.184 19.838 20.287 507 1HB GLU 54 1HB GLU 54 25.487 20.567 21.706 508 2HB GLU 54 2HB GLU 54 25.959 19.469 22.983 509 1HG GLU 54 1HG GLU 54 28.206 21.195 22.369 510 2HG GLU 54 2HG GLU 54 26.763 22.161 22.684 511 H ILE 55 H ILE 55 29.183 20.199 20.173 512 HA ILE 55 HA ILE 55 31.072 19.165 22.228 513 HB ILE 55 HB ILE 55 31.248 19.674 19.341 514 1HG1 ILE 55 1HG1 ILE 55 33.062 18.316 21.306 515 2HG1 ILE 55 2HG1 ILE 55 31.750 17.517 20.414 516 1HG2 ILE 55 2HG2 ILE 55 32.586 21.632 20.465 517 2HG2 ILE 55 3HG2 ILE 55 33.662 20.361 21.013 518 3HG2 ILE 55 1HG2 ILE 55 33.398 20.616 19.300 519 1HD1 ILE 55 2HD1 ILE 55 33.043 19.060 18.545 520 2HD1 ILE 55 3HD1 ILE 55 34.356 18.361 19.490 521 3HD1 ILE 55 1HD1 ILE 55 33.185 17.318 18.695 522 H LEU 56 H LEU 56 32.639 21.172 22.741 523 HA LEU 56 HA LEU 56 31.309 23.673 22.033 524 1HB LEU 56 1HB LEU 56 31.893 24.075 24.732 525 2HB LEU 56 2HB LEU 56 30.300 23.979 23.978 526 HG LEU 56 HG LEU 56 30.401 21.503 24.180 527 1HD1 LEU 56 1HD1 LEU 56 33.043 21.856 24.410 528 2HD1 LEU 56 2HD1 LEU 56 32.633 21.776 26.128 529 3HD1 LEU 56 3HD1 LEU 56 32.228 20.432 25.059 530 1HD2 LEU 56 2HD2 LEU 56 29.371 23.078 25.861 531 2HD2 LEU 56 3HD2 LEU 56 29.847 21.507 26.521 532 3HD2 LEU 56 1HD2 LEU 56 30.854 22.930 26.807 533 H VAL 57 H VAL 57 33.945 22.387 21.432 534 HA VAL 57 HA VAL 57 36.076 23.231 21.131 535 HB VAL 57 HB VAL 57 36.247 25.428 20.899 536 1HG1 VAL 57 2HG1 VAL 57 33.818 24.610 20.307 537 2HG1 VAL 57 3HG1 VAL 57 33.363 25.744 21.575 538 3HG1 VAL 57 1HG1 VAL 57 34.249 26.314 20.161 539 1HG2 VAL 57 1HG2 VAL 57 36.036 25.643 23.627 540 2HG2 VAL 57 2HG2 VAL 57 36.175 27.012 22.543 541 3HG2 VAL 57 3HG2 VAL 57 34.591 26.495 23.099 542 H GLY 58 H GLY 58 34.783 23.916 24.395 543 1HA GLY 58 1HA GLY 58 37.372 23.908 25.637 544 2HA GLY 58 2HA GLY 58 35.828 23.739 26.473 545 H ASP 59 H ASP 59 34.740 21.472 25.408 546 HA ASP 59 HA ASP 59 35.980 19.348 26.736 547 1HB ASP 59 1HB ASP 59 34.191 19.462 24.320 548 2HB ASP 59 2HB ASP 59 34.923 17.920 24.783 549 H VAL 60 H VAL 60 36.323 20.277 23.311 550 HA VAL 60 HA VAL 60 38.121 18.560 22.248 551 HB VAL 60 HB VAL 60 37.862 21.513 22.158 552 1HG1 VAL 60 2HG1 VAL 60 40.370 20.049 21.417 553 2HG1 VAL 60 3HG1 VAL 60 39.866 21.464 20.491 554 3HG1 VAL 60 1HG1 VAL 60 40.188 21.610 22.216 555 1HG2 VAL 60 1HG2 VAL 60 36.906 19.452 20.675 556 2HG2 VAL 60 2HG2 VAL 60 37.080 21.096 20.064 557 3HG2 VAL 60 3HG2 VAL 60 38.329 19.893 19.731 558 H GLY 61 H GLY 61 39.426 17.484 23.701 559 1HA GLY 61 1HA GLY 61 41.908 17.604 24.252 560 2HA GLY 61 2HA GLY 61 41.508 19.082 25.130 561 H VAL 62 H VAL 62 38.974 16.967 25.380 562 HA VAL 62 HA VAL 62 39.930 15.801 27.957 563 HB VAL 62 HB VAL 62 37.183 16.808 27.129 564 1HG1 VAL 62 1HG1 VAL 62 38.086 14.989 29.309 565 2HG1 VAL 62 2HG1 VAL 62 36.861 16.192 29.713 566 3HG1 VAL 62 3HG1 VAL 62 36.560 15.022 28.426 567 1HG2 VAL 62 2HG2 VAL 62 39.384 18.064 28.375 568 2HG2 VAL 62 3HG2 VAL 62 37.754 18.699 28.172 569 3HG2 VAL 62 1HG2 VAL 62 38.175 17.805 29.633 570 H THR 63 H THR 63 36.833 15.157 26.476 571 HA THR 63 HA THR 63 37.560 12.371 26.006 572 HB THR 63 HB THR 63 35.072 14.015 25.449 573 HG1 THR 63 HG1 THR 63 34.266 12.525 27.077 574 1HG2 THR 63 1HG2 THR 63 35.325 12.249 23.764 575 2HG2 THR 63 2HG2 THR 63 35.539 11.054 25.042 576 3HG2 THR 63 3HG2 THR 63 33.993 11.884 24.858 577 H ILE 64 H ILE 64 37.981 15.358 24.527 578 HA ILE 64 HA ILE 64 38.279 14.082 21.842 579 HB ILE 64 HB ILE 64 37.851 16.726 21.276 580 1HG1 ILE 64 1HG1 ILE 64 36.259 16.008 23.746 581 2HG1 ILE 64 2HG1 ILE 64 37.212 17.462 23.448 582 1HG2 ILE 64 1HG2 ILE 64 36.726 14.367 20.632 583 2HG2 ILE 64 2HG2 ILE 64 35.423 15.056 21.610 584 3HG2 ILE 64 3HG2 ILE 64 36.011 15.917 20.183 585 1HD1 ILE 64 3HD1 ILE 64 35.438 17.499 21.345 586 2HD1 ILE 64 1HD1 ILE 64 34.450 16.818 22.640 587 3HD1 ILE 64 2HD1 ILE 64 35.223 18.392 22.852 588 H THR 65 H THR 65 39.516 16.327 20.622 589 HA THR 65 HA THR 65 41.658 17.332 22.292 590 HB THR 65 HB THR 65 42.869 15.652 20.210 591 HG1 THR 65 HG1 THR 65 42.383 13.751 21.107 592 1HG2 THR 65 3HG2 THR 65 43.364 16.625 22.961 593 2HG2 THR 65 1HG2 THR 65 44.051 15.047 22.581 594 3HG2 THR 65 2HG2 THR 65 44.483 16.453 21.609 595 H ASP 66 H ASP 66 39.730 18.340 20.306 596 HA ASP 66 HA ASP 66 40.051 20.343 19.070 597 1HB ASP 66 1HB ASP 66 42.563 19.971 19.697 598 2HB ASP 66 2HB ASP 66 42.682 19.480 18.002 599 HA PRO 67 HA PRO 67 40.141 17.926 14.973 600 1HB PRO 67 1HB PRO 67 39.283 15.319 15.178 601 2HB PRO 67 2HB PRO 67 40.985 15.778 15.223 602 1HG PRO 67 1HG PRO 67 39.206 14.967 17.482 603 2HG PRO 67 2HG PRO 67 40.954 14.744 17.288 604 1HD PRO 67 1HD PRO 67 39.736 16.743 18.852 605 2HD PRO 67 2HD PRO 67 41.424 16.738 18.301 606 H PHE 68 H PHE 68 37.700 15.705 15.276 607 HA PHE 68 HA PHE 68 35.580 17.309 16.348 608 1HB PHE 68 1HB PHE 68 34.826 18.481 14.550 609 2HB PHE 68 2HB PHE 68 36.440 18.198 13.880 610 HD1 PHE 68 HD1 PHE 68 36.825 15.839 12.902 611 HD2 PHE 68 HD2 PHE 68 32.997 17.697 13.336 612 HE1 PHE 68 HE1 PHE 68 35.888 14.228 11.339 613 HE2 PHE 68 HE2 PHE 68 32.035 16.097 11.722 614 HZ PHE 68 HZ PHE 68 33.481 14.330 10.734 615 H LYS 69 H LYS 69 36.676 14.601 14.396 616 HA LYS 69 HA LYS 69 34.284 13.243 13.813 617 1HB LYS 69 1HB LYS 69 35.666 11.120 14.186 618 2HB LYS 69 2HB LYS 69 36.314 12.272 13.028 619 1HG LYS 69 1HG LYS 69 38.219 11.849 14.277 620 2HG LYS 69 2HG LYS 69 37.574 13.235 15.145 621 1HD LYS 69 1HD LYS 69 38.307 11.249 16.573 622 2HD LYS 69 2HD LYS 69 36.689 11.863 16.881 623 1HE LYS 69 1HE LYS 69 35.666 10.072 15.705 624 2HE LYS 69 2HE LYS 69 37.192 9.598 14.954 625 1HZ LYS 69 1HZ LYS 69 37.047 9.616 17.874 626 2HZ LYS 69 2HZ LYS 69 36.250 8.360 17.054 627 3HZ LYS 69 3HZ LYS 69 37.920 8.593 16.840 628 H HIS 70 H HIS 70 35.791 13.754 16.966 629 HA HIS 70 HA HIS 70 34.360 11.719 18.377 630 1HB HIS 70 1HB HIS 70 35.538 12.726 20.014 631 2HB HIS 70 2HB HIS 70 35.697 14.212 19.066 632 HD1 HIS 70 HD1 HIS 70 33.228 12.439 21.332 633 HD2 HIS 70 HD2 HIS 70 33.865 16.195 19.703 634 HE1 HIS 70 HE1 HIS 70 31.561 14.003 22.399 635 H PHE 71 H PHE 71 33.620 15.070 17.587 636 HA PHE 71 HA PHE 71 31.014 15.203 18.598 637 1HB PHE 71 1HB PHE 71 31.664 17.323 17.902 638 2HB PHE 71 2HB PHE 71 32.616 16.692 16.564 639 HD1 PHE 71 HD1 PHE 71 31.173 15.629 14.580 640 HD2 PHE 71 HD2 PHE 71 29.707 18.447 17.480 641 HE1 PHE 71 HE1 PHE 71 29.311 16.215 13.063 642 HE2 PHE 71 HE2 PHE 71 27.838 19.017 15.965 643 HZ PHE 71 HZ PHE 71 27.641 17.900 13.755 644 H VAL 72 H VAL 72 32.221 13.875 15.512 645 HA VAL 72 HA VAL 72 29.637 13.505 14.351 646 HB VAL 72 HB VAL 72 30.692 12.116 12.794 647 1HG1 VAL 72 1HG1 VAL 72 32.615 14.134 13.817 648 2HG1 VAL 72 2HG1 VAL 72 32.956 13.176 12.381 649 3HG1 VAL 72 3HG1 VAL 72 31.550 14.238 12.419 650 1HG2 VAL 72 2HG2 VAL 72 32.032 10.947 14.939 651 2HG2 VAL 72 3HG2 VAL 72 32.085 10.450 13.256 652 3HG2 VAL 72 1HG2 VAL 72 33.278 11.588 13.878 653 H GLY 73 H GLY 73 31.578 11.830 16.602 654 1HA GLY 73 1HA GLY 73 30.046 9.420 16.844 655 2HA GLY 73 2HA GLY 73 31.145 10.055 18.075 656 H MET 74 H MET 74 29.806 12.677 18.224 657 HA MET 74 HA MET 74 27.888 12.146 20.251 658 1HB MET 74 1HB MET 74 28.325 14.548 18.488 659 2HB MET 74 2HB MET 74 27.069 14.508 19.721 660 1HG MET 74 1HG MET 74 28.856 13.893 21.395 661 2HG MET 74 2HG MET 74 30.052 14.219 20.140 662 1HE MET 74 3HE MET 74 29.249 16.165 18.481 663 2HE MET 74 1HE MET 74 29.268 17.826 19.108 664 3HE MET 74 2HE MET 74 30.687 16.790 19.297 665 H LEU 75 H LEU 75 27.549 12.947 16.879 666 HA LEU 75 HA LEU 75 24.710 12.189 16.912 667 1HB LEU 75 1HB LEU 75 24.732 13.002 14.582 668 2HB LEU 75 2HB LEU 75 25.326 14.212 15.716 669 HG LEU 75 HG LEU 75 27.647 12.967 15.140 670 1HD1 LEU 75 2HD1 LEU 75 25.939 11.703 13.475 671 2HD1 LEU 75 3HD1 LEU 75 26.495 13.018 12.427 672 3HD1 LEU 75 1HD1 LEU 75 27.663 11.903 13.138 673 1HD2 LEU 75 1HD2 LEU 75 26.174 15.249 13.859 674 2HD2 LEU 75 2HD2 LEU 75 27.601 15.289 14.899 675 3HD2 LEU 75 3HD2 LEU 75 27.747 14.773 13.216 676 HA PRO 76 HA PRO 76 26.083 8.140 15.603 677 1HB PRO 76 1HB PRO 76 23.669 6.939 16.119 678 2HB PRO 76 2HB PRO 76 24.846 7.316 17.387 679 1HG PRO 76 1HG PRO 76 22.274 8.683 16.765 680 2HG PRO 76 2HG PRO 76 23.170 8.613 18.294 681 1HD PRO 76 1HD PRO 76 23.150 10.790 16.432 682 2HD PRO 76 2HD PRO 76 24.199 10.614 17.852 683 H GLU 77 H GLU 77 22.691 7.912 14.923 684 HA GLU 77 HA GLU 77 22.818 8.869 12.184 685 1HB GLU 77 1HB GLU 77 22.304 5.927 12.498 686 2HB GLU 77 2HB GLU 77 22.710 6.813 11.032 687 1HG GLU 77 1HG GLU 77 24.994 7.175 11.891 688 2HG GLU 77 2HG GLU 77 24.575 6.304 13.368 689 H LYS 78 H LYS 78 21.117 7.203 14.775 690 HA LYS 78 HA LYS 78 18.582 7.306 13.339 691 1HB LYS 78 1HB LYS 78 17.752 5.940 15.000 692 2HB LYS 78 2HB LYS 78 19.466 5.532 15.064 693 1HG LYS 78 1HG LYS 78 18.130 7.615 16.810 694 2HG LYS 78 2HG LYS 78 18.495 5.974 17.320 695 1HD LYS 78 1HD LYS 78 20.565 7.952 16.333 696 2HD LYS 78 2HD LYS 78 20.222 7.638 18.032 697 1HE LYS 78 1HE LYS 78 21.089 5.524 16.041 698 2HE LYS 78 2HE LYS 78 22.160 6.311 17.202 699 1HZ LYS 78 3HZ LYS 78 20.332 5.551 18.874 700 2HZ LYS 78 1HZ LYS 78 19.983 4.403 17.676 701 3HZ LYS 78 2HZ LYS 78 21.535 4.464 18.365 702 H ASP 79 H ASP 79 20.071 9.967 14.568 703 HA ASP 79 HA ASP 79 17.527 11.253 15.021 704 1HB ASP 79 1HB ASP 79 18.639 9.794 17.262 705 2HB ASP 79 2HB ASP 79 18.371 11.494 17.654 706 H CYS 80 H CYS 80 18.544 12.958 13.850 707 HA CYS 80 HA CYS 80 19.060 15.310 14.755 708 1HB CYS 80 1HB CYS 80 21.404 15.651 15.484 709 2HB CYS 80 2HB CYS 80 20.499 14.634 16.593 710 HG CYS 80 HG CYS 80 22.913 13.599 15.971 711 H ARG 81 H ARG 81 20.130 16.794 13.294 712 HA ARG 81 HA ARG 81 21.658 15.561 11.119 713 1HB ARG 81 1HB ARG 81 19.141 15.415 10.634 714 2HB ARG 81 2HB ARG 81 19.240 17.153 10.345 715 1HG ARG 81 1HG ARG 81 21.435 16.003 8.984 716 2HG ARG 81 2HG ARG 81 20.042 14.987 8.618 717 1HD ARG 81 1HD ARG 81 19.192 17.705 8.497 718 2HD ARG 81 2HD ARG 81 20.680 17.559 7.566 719 HE ARG 81 HE ARG 81 18.405 15.689 7.081 720 1HH1 ARG 81 1HH1 ARG 81 19.466 18.624 5.951 721 2HH1 ARG 81 2HH1 ARG 81 19.756 18.111 4.324 722 1HH2 ARG 81 1HH2 ARG 81 19.351 14.738 5.032 723 2HH2 ARG 81 2HH2 ARG 81 19.688 15.911 3.802 724 H TYR 82 H TYR 82 20.485 18.730 12.467 725 HA TYR 82 HA TYR 82 22.572 19.958 10.710 726 1HB TYR 82 1HB TYR 82 20.184 21.074 12.147 727 2HB TYR 82 2HB TYR 82 21.476 22.134 11.579 728 HD1 TYR 82 HD2 TYR 82 21.621 19.433 9.430 729 HD2 TYR 82 HD1 TYR 82 19.101 22.781 10.291 730 HE1 TYR 82 HE2 TYR 82 20.714 19.329 7.142 731 HE2 TYR 82 HE1 TYR 82 18.156 22.664 8.012 732 HH TYR 82 HH TYR 82 17.982 21.356 6.169 733 H ALA 83 H ALA 83 24.521 20.536 11.550 734 HA ALA 83 HA ALA 83 24.643 21.061 14.443 735 1HB ALA 83 3HB ALA 83 25.208 18.615 13.710 736 2HB ALA 83 1HB ALA 83 26.729 19.339 13.196 737 3HB ALA 83 2HB ALA 83 26.242 19.432 14.885 738 H LEU 84 H LEU 84 25.910 22.679 14.949 739 HA LEU 84 HA LEU 84 27.954 23.618 13.013 740 1HB LEU 84 1HB LEU 84 26.492 25.157 15.127 741 2HB LEU 84 2HB LEU 84 27.831 25.806 14.203 742 HG LEU 84 HG LEU 84 25.084 25.050 13.227 743 1HD1 LEU 84 2HD1 LEU 84 26.922 27.450 13.091 744 2HD1 LEU 84 3HD1 LEU 84 25.538 27.284 12.008 745 3HD1 LEU 84 1HD1 LEU 84 25.289 27.365 13.752 746 1HD2 LEU 84 3HD2 LEU 84 27.662 25.271 11.663 747 2HD2 LEU 84 1HD2 LEU 84 26.606 23.866 11.786 748 3HD2 LEU 84 2HD2 LEU 84 26.056 25.305 10.937 749 H TYR 85 H TYR 85 29.879 22.884 13.636 750 HA TYR 85 HA TYR 85 30.386 22.769 16.585 751 1HB TYR 85 1HB TYR 85 30.786 20.602 15.950 752 2HB TYR 85 2HB TYR 85 31.187 21.052 14.289 753 HD1 TYR 85 HD2 TYR 85 32.412 21.040 17.786 754 HD2 TYR 85 HD1 TYR 85 33.431 21.565 13.622 755 HE1 TYR 85 HE2 TYR 85 34.843 21.008 18.370 756 HE2 TYR 85 HE1 TYR 85 35.844 21.501 14.220 757 HH TYR 85 HH TYR 85 37.042 20.369 17.024 758 H ASP 86 H ASP 86 31.769 24.317 17.306 759 HA ASP 86 HA ASP 86 33.088 26.236 15.777 760 1HB ASP 86 1HB ASP 86 33.545 26.882 17.896 761 2HB ASP 86 2HB ASP 86 33.272 25.252 18.508 762 H ALA 87 H ALA 87 34.292 25.686 13.986 763 HA ALA 87 HA ALA 87 36.034 23.308 14.097 764 1HB ALA 87 3HB ALA 87 34.889 24.918 12.003 765 2HB ALA 87 1HB ALA 87 36.630 24.763 11.766 766 3HB ALA 87 2HB ALA 87 35.618 23.320 11.892 767 H SER 88 H SER 88 37.897 23.602 15.283 768 HA SER 88 HA SER 88 39.379 26.162 14.927 769 1HB SER 88 1HB SER 88 39.900 23.806 16.769 770 2HB SER 88 2HB SER 88 40.873 25.272 16.700 771 HG SER 88 HG SER 88 39.094 26.442 17.381 772 H PHE 89 H PHE 89 40.253 25.945 12.879 773 HA PHE 89 HA PHE 89 42.302 23.795 12.581 774 1HB PHE 89 1HB PHE 89 41.529 23.237 10.378 775 2HB PHE 89 2HB PHE 89 40.124 23.160 11.450 776 HD1 PHE 89 HD1 PHE 89 38.438 24.913 11.454 777 HD2 PHE 89 HD2 PHE 89 41.790 25.079 8.771 778 HE1 PHE 89 HE1 PHE 89 37.294 26.677 10.133 779 HE2 PHE 89 HE2 PHE 89 40.649 26.842 7.453 780 HZ PHE 89 HZ PHE 89 38.402 27.643 8.134 781 H GLU 90 H GLU 90 44.138 24.487 11.485 782 HA GLU 90 HA GLU 90 44.254 27.336 10.788 783 1HB GLU 90 1HB GLU 90 46.353 25.177 10.463 784 2HB GLU 90 2HB GLU 90 46.601 26.909 10.193 785 1HG GLU 90 1HG GLU 90 46.959 27.223 12.371 786 2HG GLU 90 2HG GLU 90 45.363 26.566 12.737 787 H THR 91 H THR 91 45.137 27.919 8.648 788 HA THR 91 HA THR 91 44.452 25.997 6.525 789 HB THR 91 HB THR 91 42.364 27.040 6.553 790 HG1 THR 91 HG1 THR 91 42.325 28.324 4.832 791 1HG2 THR 91 3HG2 THR 91 43.084 28.475 8.488 792 2HG2 THR 91 1HG2 THR 91 43.705 29.653 7.316 793 3HG2 THR 91 2HG2 THR 91 41.982 29.268 7.368 794 H LYS 92 H LYS 92 44.928 27.600 4.242 795 HA LYS 92 HA LYS 92 47.671 28.337 4.416 796 1HB LYS 92 1HB LYS 92 45.441 29.257 2.568 797 2HB LYS 92 2HB LYS 92 47.121 29.757 2.364 798 1HG LYS 92 1HG LYS 92 47.485 27.093 2.575 799 2HG LYS 92 2HG LYS 92 45.862 27.101 1.881 800 1HD LYS 92 1HD LYS 92 47.058 27.213 -0.079 801 2HD LYS 92 2HD LYS 92 47.015 28.940 0.284 802 1HE LYS 92 1HE LYS 92 49.219 28.954 1.096 803 2HE LYS 92 2HE LYS 92 49.224 27.214 1.383 804 1HZ LYS 92 1HZ LYS 92 48.876 27.115 -1.170 805 2HZ LYS 92 2HZ LYS 92 49.532 28.682 -1.145 806 3HZ LYS 92 3HZ LYS 92 50.431 27.371 -0.543 807 H GLU 93 H GLU 93 44.688 29.745 5.412 808 HA GLU 93 HA GLU 93 45.708 32.425 5.843 809 1HB GLU 93 1HB GLU 93 43.278 31.434 7.248 810 2HB GLU 93 2HB GLU 93 43.554 32.978 6.444 811 1HG GLU 93 1HG GLU 93 43.754 31.227 4.345 812 2HG GLU 93 2HG GLU 93 42.524 30.447 5.340 813 H SER 94 H SER 94 45.303 29.463 7.643 814 HA SER 94 HA SER 94 46.821 28.883 9.445 815 1HB SER 94 1HB SER 94 46.389 31.728 10.272 816 2HB SER 94 2HB SER 94 47.423 30.547 11.074 817 HG SER 94 HG SER 94 48.738 30.508 9.261 818 H ARG 95 H ARG 95 46.350 28.915 11.891 819 HA ARG 95 HA ARG 95 43.780 27.943 12.452 820 1HB ARG 95 1HB ARG 95 45.928 27.879 13.927 821 2HB ARG 95 2HB ARG 95 45.358 29.431 14.516 822 1HG ARG 95 1HG ARG 95 44.497 27.745 16.006 823 2HG ARG 95 2HG ARG 95 43.152 28.350 15.041 824 1HD ARG 95 1HD ARG 95 42.887 26.003 14.978 825 2HD ARG 95 2HD ARG 95 43.666 26.378 13.444 826 HE ARG 95 HE ARG 95 45.190 24.751 14.268 827 1HH1 ARG 95 1HH2 ARG 95 46.945 26.855 15.272 828 2HH1 ARG 95 2HH2 ARG 95 47.079 26.501 16.963 829 1HH2 ARG 95 1HH1 ARG 95 44.292 24.438 17.024 830 2HH2 ARG 95 2HH1 ARG 95 45.577 25.132 17.954 831 H LYS 96 H LYS 96 42.075 29.070 12.045 832 HA LYS 96 HA LYS 96 41.757 31.733 13.314 833 1HB LYS 96 1HB LYS 96 41.199 31.210 10.388 834 2HB LYS 96 2HB LYS 96 40.792 32.698 11.246 835 1HG LYS 96 1HG LYS 96 43.425 32.415 11.919 836 2HG LYS 96 2HG LYS 96 43.421 31.736 10.292 837 1HD LYS 96 1HD LYS 96 41.985 34.319 10.773 838 2HD LYS 96 2HD LYS 96 43.747 34.333 10.658 839 1HE LYS 96 1HE LYS 96 43.366 34.479 8.421 840 2HE LYS 96 2HE LYS 96 43.105 32.739 8.543 841 1HZ LYS 96 2HZ LYS 96 40.718 33.307 9.046 842 2HZ LYS 96 3HZ LYS 96 41.071 34.891 8.543 843 3HZ LYS 96 1HZ LYS 96 41.228 33.601 7.453 844 H GLU 97 H GLU 97 40.664 28.858 13.302 845 HA GLU 97 HA GLU 97 38.637 27.769 13.521 846 1HB GLU 97 1HB GLU 97 39.122 29.450 15.516 847 2HB GLU 97 2HB GLU 97 37.577 30.108 14.965 848 1HG GLU 97 1HG GLU 97 36.563 27.896 15.093 849 2HG GLU 97 2HG GLU 97 38.118 27.211 15.566 850 H GLU 98 H GLU 98 37.110 27.391 12.109 851 HA GLU 98 HA GLU 98 35.127 29.455 11.465 852 1HB GLU 98 1HB GLU 98 36.048 29.864 9.462 853 2HB GLU 98 2HB GLU 98 37.124 28.476 9.569 854 1HG GLU 98 1HG GLU 98 35.537 27.018 8.643 855 2HG GLU 98 2HG GLU 98 34.191 28.090 9.029 856 H LEU 99 H LEU 99 33.627 28.285 12.557 857 HA LEU 99 HA LEU 99 33.276 25.486 12.641 858 1HB LEU 99 1HB LEU 99 30.978 25.887 13.313 859 2HB LEU 99 2HB LEU 99 32.055 27.037 14.093 860 HG LEU 99 HG LEU 99 31.426 28.734 12.335 861 1HD1 LEU 99 2HD1 LEU 99 29.768 26.399 11.445 862 2HD1 LEU 99 3HD1 LEU 99 29.112 28.021 11.238 863 3HD1 LEU 99 1HD1 LEU 99 30.635 27.578 10.462 864 1HD2 LEU 99 2HD2 LEU 99 29.337 27.449 14.112 865 2HD2 LEU 99 3HD2 LEU 99 30.266 28.928 14.442 866 3HD2 LEU 99 1HD2 LEU 99 28.979 28.932 13.217 867 H MET 100 H MET 100 31.115 24.490 11.759 868 HA MET 100 HA MET 100 30.730 25.170 8.913 869 1HB MET 100 1HB MET 100 31.711 22.506 9.847 870 2HB MET 100 2HB MET 100 31.446 23.019 8.173 871 1HG MET 100 1HG MET 100 33.102 24.862 8.542 872 2HG MET 100 2HG MET 100 33.465 24.170 10.125 873 1HE MET 100 2HE MET 100 32.902 21.277 9.546 874 2HE MET 100 3HE MET 100 32.328 21.550 7.898 875 3HE MET 100 1HE MET 100 33.711 20.486 8.186 876 H PHE 101 H PHE 101 28.793 24.553 8.145 877 HA PHE 101 HA PHE 101 26.749 23.725 9.941 878 1HB PHE 101 1HB PHE 101 26.628 25.033 7.651 879 2HB PHE 101 2HB PHE 101 26.483 23.405 7.013 880 HD1 PHE 101 HD1 PHE 101 25.191 23.320 10.250 881 HD2 PHE 101 HD2 PHE 101 24.244 24.667 6.284 882 HE1 PHE 101 HE1 PHE 101 22.782 23.206 10.794 883 HE2 PHE 101 HE2 PHE 101 21.820 24.576 6.844 884 HZ PHE 101 HZ PHE 101 21.096 23.837 9.092 885 H PHE 102 H PHE 102 25.850 21.615 10.254 886 HA PHE 102 HA PHE 102 27.139 19.511 8.562 887 1HB PHE 102 1HB PHE 102 26.992 19.783 11.487 888 2HB PHE 102 2HB PHE 102 26.574 18.181 10.870 889 HD1 PHE 102 HD2 PHE 102 28.127 17.219 9.020 890 HD2 PHE 102 HD1 PHE 102 29.239 20.373 11.728 891 HE1 PHE 102 HE2 PHE 102 30.527 16.797 8.551 892 HE2 PHE 102 HE1 PHE 102 31.631 19.948 11.267 893 HZ PHE 102 HZ PHE 102 32.284 18.149 9.674 894 H LEU 103 H LEU 103 25.467 18.839 7.246 895 HA LEU 103 HA LEU 103 22.735 18.683 8.300 896 1HB LEU 103 1HB LEU 103 23.807 17.835 5.600 897 2HB LEU 103 2HB LEU 103 22.117 17.967 6.055 898 HG LEU 103 HG LEU 103 22.131 20.103 5.400 899 1HD1 LEU 103 1HD1 LEU 103 22.874 20.407 7.874 900 2HD1 LEU 103 2HD1 LEU 103 24.468 20.745 7.202 901 3HD1 LEU 103 3HD1 LEU 103 23.103 21.773 6.782 902 1HD2 LEU 103 2HD2 LEU 103 24.889 19.286 4.763 903 2HD2 LEU 103 3HD2 LEU 103 23.687 20.080 3.747 904 3HD2 LEU 103 1HD2 LEU 103 24.649 21.028 4.883 905 H TRP 104 H TRP 104 24.383 17.127 9.724 906 HA TRP 104 HA TRP 104 25.072 14.592 9.101 907 1HB TRP 104 1HB TRP 104 25.181 15.420 11.426 908 2HB TRP 104 2HB TRP 104 23.417 15.331 11.557 909 HD1 TRP 104 HD1 TRP 104 23.191 13.320 13.241 910 HE1 TRP 104 HE1 TRP 104 23.776 10.792 13.049 911 HE3 TRP 104 HE3 TRP 104 26.105 13.418 9.063 912 HZ2 TRP 104 HZ2 TRP 104 25.406 9.090 11.280 913 HZ3 TRP 104 HZ3 TRP 104 27.086 11.438 8.160 914 HH2 TRP 104 HH2 TRP 104 26.765 9.240 9.245 915 H ALA 105 H ALA 105 23.769 13.755 7.347 916 HA ALA 105 HA ALA 105 20.972 13.020 8.148 917 1HB ALA 105 3HB ALA 105 22.150 13.823 5.488 918 2HB ALA 105 1HB ALA 105 20.669 12.870 5.569 919 3HB ALA 105 2HB ALA 105 20.727 14.472 6.304 920 HA PRO 106 HA PRO 106 23.264 9.119 7.786 921 1HB PRO 106 1HB PRO 106 21.715 7.865 9.695 922 2HB PRO 106 2HB PRO 106 23.170 8.808 10.063 923 1HG PRO 106 1HG PRO 106 20.297 9.569 10.418 924 2HG PRO 106 2HG PRO 106 21.716 10.092 11.335 925 1HD PRO 106 1HD PRO 106 20.434 11.602 9.366 926 2HD PRO 106 2HD PRO 106 22.088 11.887 9.953 927 H GLU 107 H GLU 107 22.639 7.344 6.569 928 HA GLU 107 HA GLU 107 20.244 7.566 5.024 929 1HB GLU 107 1HB GLU 107 22.519 5.711 5.224 930 2HB GLU 107 2HB GLU 107 21.014 4.948 4.713 931 1HG GLU 107 1HG GLU 107 20.808 6.980 3.092 932 2HG GLU 107 2HG GLU 107 22.536 7.181 3.387 933 H LEU 108 H LEU 108 20.537 6.666 8.229 934 HA LEU 108 HA LEU 108 18.264 4.748 8.040 935 1HB LEU 108 1HB LEU 108 19.343 3.454 9.513 936 2HB LEU 108 2HB LEU 108 20.754 4.476 9.241 937 HG LEU 108 HG LEU 108 19.722 6.041 11.015 938 1HD1 LEU 108 1HD1 LEU 108 17.673 4.179 10.771 939 2HD1 LEU 108 2HD1 LEU 108 18.450 3.750 12.301 940 3HD1 LEU 108 3HD1 LEU 108 17.830 5.385 12.051 941 1HD2 LEU 108 2HD2 LEU 108 21.716 4.568 11.299 942 2HD2 LEU 108 3HD2 LEU 108 20.795 4.776 12.789 943 3HD2 LEU 108 1HD2 LEU 108 20.646 3.282 11.862 944 H ALA 109 H ALA 109 19.347 7.797 9.404 945 HA ALA 109 HA ALA 109 17.764 8.218 11.604 946 1HB ALA 109 1HB ALA 109 18.752 9.949 9.483 947 2HB ALA 109 2HB ALA 109 17.183 10.509 10.095 948 3HB ALA 109 3HB ALA 109 18.549 10.296 11.210 949 HA PRO 110 HA PRO 110 13.560 7.874 10.642 950 1HB PRO 110 1HB PRO 110 12.542 10.081 11.958 951 2HB PRO 110 2HB PRO 110 13.066 8.596 12.769 952 1HG PRO 110 1HG PRO 110 14.467 11.235 12.588 953 2HG PRO 110 2HG PRO 110 14.535 10.017 13.871 954 1HD PRO 110 1HD PRO 110 16.520 10.399 11.930 955 2HD PRO 110 2HD PRO 110 16.305 8.916 12.885 956 H LEU 111 H LEU 111 11.925 8.721 9.211 957 HA LEU 111 HA LEU 111 12.848 10.217 7.004 958 1HB LEU 111 1HB LEU 111 10.155 9.438 8.042 959 2HB LEU 111 2HB LEU 111 10.225 10.667 6.779 960 HG LEU 111 HG LEU 111 11.690 8.030 6.556 961 1HD1 LEU 111 2HD1 LEU 111 8.839 8.739 5.989 962 2HD1 LEU 111 3HD1 LEU 111 9.671 7.667 4.863 963 3HD1 LEU 111 1HD1 LEU 111 9.521 7.217 6.561 964 1HD2 LEU 111 2HD2 LEU 111 12.095 10.264 5.151 965 2HD2 LEU 111 3HD2 LEU 111 12.147 8.678 4.381 966 3HD2 LEU 111 1HD2 LEU 111 10.693 9.669 4.262 967 H LYS 112 H LYS 112 10.855 11.304 9.742 968 HA LYS 112 HA LYS 112 10.449 13.964 9.075 969 1HB LYS 112 1HB LYS 112 10.934 14.334 11.660 970 2HB LYS 112 2HB LYS 112 9.490 13.489 11.117 971 1HG LYS 112 1HG LYS 112 10.143 11.711 12.346 972 2HG LYS 112 2HG LYS 112 11.560 11.548 11.313 973 1HD LYS 112 1HD LYS 112 11.399 13.411 13.687 974 2HD LYS 112 2HD LYS 112 12.161 11.818 13.710 975 1HE LYS 112 1HE LYS 112 13.576 12.605 11.742 976 2HE LYS 112 2HE LYS 112 12.972 14.229 12.071 977 1HZ LYS 112 1HZ LYS 112 14.011 12.735 14.345 978 2HZ LYS 112 2HZ LYS 112 15.153 13.259 13.202 979 3HZ LYS 112 3HZ LYS 112 14.145 14.385 13.978 980 H SER 113 H SER 113 13.533 12.525 9.783 981 HA SER 113 HA SER 113 14.712 15.263 9.963 982 1HB SER 113 1HB SER 113 15.730 14.288 11.766 983 2HB SER 113 2HB SER 113 15.326 12.662 11.230 984 HG SER 113 HG SER 113 17.641 13.382 11.257 985 H LYS 114 H LYS 114 13.791 14.284 7.554 986 HA LYS 114 HA LYS 114 16.247 14.280 5.926 987 1HB LYS 114 1HB LYS 114 14.225 12.237 5.125 988 2HB LYS 114 2HB LYS 114 15.977 12.206 4.944 989 1HG LYS 114 1HG LYS 114 14.723 11.968 7.688 990 2HG LYS 114 2HG LYS 114 14.877 10.560 6.638 991 1HD LYS 114 1HD LYS 114 17.323 12.196 6.812 992 2HD LYS 114 2HD LYS 114 16.845 11.437 8.331 993 1HE LYS 114 1HE LYS 114 18.363 10.022 6.884 994 2HE LYS 114 2HE LYS 114 16.845 9.247 7.328 995 1HZ LYS 114 3HZ LYS 114 15.988 10.182 5.133 996 2HZ LYS 114 1HZ LYS 114 17.617 10.432 4.734 997 3HZ LYS 114 2HZ LYS 114 17.053 8.863 5.060 998 H MET 115 H MET 115 12.751 13.770 5.855 999 HA MET 115 HA MET 115 12.259 15.225 3.387 1000 1HB MET 115 1HB MET 115 10.358 14.777 5.700 1001 2HB MET 115 2HB MET 115 9.948 14.978 3.991 1002 1HG MET 115 1HG MET 115 11.582 12.639 5.025 1003 2HG MET 115 2HG MET 115 9.834 12.576 4.812 1004 1HE MET 115 3HE MET 115 8.801 11.845 3.273 1005 2HE MET 115 1HE MET 115 9.090 11.789 1.529 1006 3HE MET 115 2HE MET 115 9.822 10.585 2.586 1007 H ILE 116 H ILE 116 12.715 15.951 6.711 1008 HA ILE 116 HA ILE 116 11.236 18.396 6.725 1009 HB ILE 116 HB ILE 116 12.867 16.645 8.423 1010 1HG1 ILE 116 1HG1 ILE 116 10.132 17.475 8.109 1011 2HG1 ILE 116 2HG1 ILE 116 10.755 16.153 9.081 1012 1HG2 ILE 116 3HG2 ILE 116 12.581 19.569 8.827 1013 2HG2 ILE 116 1HG2 ILE 116 12.709 18.488 10.221 1014 3HG2 ILE 116 2HG2 ILE 116 13.981 18.512 9.007 1015 1HD1 ILE 116 2HD1 ILE 116 11.362 18.091 10.777 1016 2HD1 ILE 116 3HD1 ILE 116 10.120 18.974 9.893 1017 3HD1 ILE 116 1HD1 ILE 116 9.723 17.461 10.703 1018 H TYR 117 H TYR 117 14.527 17.386 7.132 1019 HA TYR 117 HA TYR 117 15.729 19.925 7.416 1020 1HB TYR 117 1HB TYR 117 16.672 17.227 6.542 1021 2HB TYR 117 2HB TYR 117 17.787 18.605 6.708 1022 HD1 TYR 117 HD1 TYR 117 16.664 20.027 9.006 1023 HD2 TYR 117 HD2 TYR 117 17.108 15.809 8.367 1024 HE1 TYR 117 HE1 TYR 117 16.644 19.655 11.452 1025 HE2 TYR 117 HE2 TYR 117 17.110 15.450 10.817 1026 HH TYR 117 HH TYR 117 16.094 16.754 12.845 1027 H ALA 118 H ALA 118 14.598 18.128 4.758 1028 HA ALA 118 HA ALA 118 15.927 19.161 2.534 1029 1HB ALA 118 1HB ALA 118 13.495 17.845 3.208 1030 2HB ALA 118 2HB ALA 118 13.095 19.173 2.111 1031 3HB ALA 118 3HB ALA 118 14.259 17.939 1.614 1032 H SER 119 H SER 119 13.257 20.505 4.456 1033 HA SER 119 HA SER 119 13.644 23.137 3.084 1034 1HB SER 119 1HB SER 119 11.349 22.071 3.062 1035 2HB SER 119 2HB SER 119 11.335 22.258 4.814 1036 HG SER 119 HG SER 119 10.921 24.102 2.859 1037 H SER 120 H SER 120 14.496 21.494 5.859 1038 HA SER 120 HA SER 120 14.092 23.676 7.775 1039 1HB SER 120 1HB SER 120 16.170 21.521 8.073 1040 2HB SER 120 2HB SER 120 15.316 22.393 9.338 1041 HG SER 120 HG SER 120 14.440 20.333 9.075 1042 H LYS 121 H LYS 121 16.489 22.710 5.485 1043 HA LYS 121 HA LYS 121 18.450 24.640 6.448 1044 1HB LYS 121 1HB LYS 121 18.444 22.443 4.614 1045 2HB LYS 121 2HB LYS 121 19.078 23.901 3.839 1046 1HG LYS 121 1HG LYS 121 20.769 24.179 5.409 1047 2HG LYS 121 2HG LYS 121 19.941 23.210 6.639 1048 1HD LYS 121 1HD LYS 121 21.474 21.644 5.936 1049 2HD LYS 121 2HD LYS 121 20.235 21.330 4.720 1050 1HE LYS 121 1HE LYS 121 21.870 23.532 3.855 1051 2HE LYS 121 2HE LYS 121 22.909 22.170 4.273 1052 1HZ LYS 121 3HZ LYS 121 20.913 20.968 2.939 1053 2HZ LYS 121 1HZ LYS 121 21.010 22.448 2.116 1054 3HZ LYS 121 2HZ LYS 121 22.382 21.453 2.237 1055 H ASP 122 H ASP 122 17.037 26.185 6.441 1056 HA ASP 122 HA ASP 122 17.044 28.175 4.436 1057 1HB ASP 122 1HB ASP 122 14.688 26.299 4.498 1058 2HB ASP 122 2HB ASP 122 14.378 28.017 4.255 1059 H ALA 123 H ALA 123 15.364 26.491 6.966 1060 HA ALA 123 HA ALA 123 14.453 28.898 8.379 1061 1HB ALA 123 2HB ALA 123 13.986 26.097 8.449 1062 2HB ALA 123 3HB ALA 123 14.671 26.528 10.019 1063 3HB ALA 123 1HB ALA 123 13.202 27.327 9.447 1064 H ILE 124 H ILE 124 16.756 26.273 9.036 1065 HA ILE 124 HA ILE 124 18.251 27.465 11.112 1066 HB ILE 124 HB ILE 124 18.494 25.120 10.431 1067 1HG1 ILE 124 1HG1 ILE 124 21.155 26.169 9.730 1068 2HG1 ILE 124 2HG1 ILE 124 20.463 26.832 11.208 1069 1HG2 ILE 124 3HG2 ILE 124 18.202 25.774 7.968 1070 2HG2 ILE 124 1HG2 ILE 124 19.925 26.158 7.992 1071 3HG2 ILE 124 2HG2 ILE 124 19.386 24.509 8.318 1072 1HD1 ILE 124 3HD1 ILE 124 20.471 23.873 10.676 1073 2HD1 ILE 124 1HD1 ILE 124 21.863 24.675 11.409 1074 3HD1 ILE 124 2HD1 ILE 124 20.294 24.712 12.232 1075 H LYS 125 H LYS 125 18.419 27.602 7.620 1076 HA LYS 125 HA LYS 125 20.801 29.072 7.263 1077 1HB LYS 125 1HB LYS 125 18.589 28.142 5.722 1078 2HB LYS 125 2HB LYS 125 18.834 29.848 5.339 1079 1HG LYS 125 1HG LYS 125 20.317 28.847 3.870 1080 2HG LYS 125 2HG LYS 125 21.353 29.156 5.256 1081 1HD LYS 125 1HD LYS 125 19.955 26.604 5.473 1082 2HD LYS 125 2HD LYS 125 20.974 26.687 4.036 1083 1HE LYS 125 1HE LYS 125 21.778 26.970 6.927 1084 2HE LYS 125 2HE LYS 125 22.441 25.895 5.697 1085 1HZ LYS 125 3HZ LYS 125 22.938 28.225 4.569 1086 2HZ LYS 125 1HZ LYS 125 22.986 28.712 6.193 1087 3HZ LYS 125 2HZ LYS 125 24.023 27.483 5.645 1088 H LYS 126 H LYS 126 17.454 30.139 7.792 1089 HA LYS 126 HA LYS 126 17.921 32.937 7.448 1090 1HB LYS 126 1HB LYS 126 15.864 31.362 9.000 1091 2HB LYS 126 2HB LYS 126 15.868 33.127 9.009 1092 1HG LYS 126 1HG LYS 126 16.153 32.523 6.322 1093 2HG LYS 126 2HG LYS 126 15.039 31.279 6.890 1094 1HD LYS 126 1HD LYS 126 13.396 32.817 6.772 1095 2HD LYS 126 2HD LYS 126 14.169 33.646 8.123 1096 1HE LYS 126 1HE LYS 126 15.650 34.315 5.793 1097 2HE LYS 126 2HE LYS 126 13.945 34.508 5.387 1098 1HZ LYS 126 1HZ LYS 126 14.514 35.510 7.986 1099 2HZ LYS 126 2HZ LYS 126 15.498 36.256 6.820 1100 3HZ LYS 126 3HZ LYS 126 13.807 36.299 6.661 1101 H LYS 127 H LYS 127 18.934 30.790 9.844 1102 HA LYS 127 HA LYS 127 19.600 33.022 11.699 1103 1HB LYS 127 1HB LYS 127 19.651 30.139 12.519 1104 2HB LYS 127 2HB LYS 127 19.349 31.573 13.500 1105 1HG LYS 127 1HG LYS 127 17.466 30.514 11.376 1106 2HG LYS 127 2HG LYS 127 17.274 30.257 13.111 1107 1HD LYS 127 1HD LYS 127 16.649 32.432 13.505 1108 2HD LYS 127 2HD LYS 127 17.671 33.066 12.214 1109 1HE LYS 127 1HE LYS 127 15.874 33.177 10.876 1110 2HE LYS 127 2HE LYS 127 15.709 31.425 10.983 1111 1HZ LYS 127 3HZ LYS 127 14.710 32.248 13.344 1112 2HZ LYS 127 1HZ LYS 127 14.211 33.498 12.313 1113 3HZ LYS 127 2HZ LYS 127 13.776 31.892 11.970 1114 H PHE 128 H PHE 128 20.729 30.630 9.554 1115 HA PHE 128 HA PHE 128 23.459 30.571 10.723 1116 1HB PHE 128 1HB PHE 128 22.003 28.985 8.653 1117 2HB PHE 128 2HB PHE 128 23.767 29.089 8.571 1118 HD1 PHE 128 HD2 PHE 128 22.196 29.645 11.751 1119 HD2 PHE 128 HD1 PHE 128 23.884 26.604 9.201 1120 HE1 PHE 128 HE2 PHE 128 22.378 28.138 13.685 1121 HE2 PHE 128 HE1 PHE 128 24.072 25.099 11.181 1122 HZ PHE 128 HZ PHE 128 23.307 25.860 13.413 1123 H GLN 129 H GLN 129 22.419 32.952 9.875 1124 HA GLN 129 HA GLN 129 22.729 34.171 7.520 1125 1HB GLN 129 1HB GLN 129 24.521 35.114 9.753 1126 2HB GLN 129 2HB GLN 129 23.635 36.089 8.582 1127 1HG GLN 129 1HG GLN 129 22.353 34.356 10.714 1128 2HG GLN 129 2HG GLN 129 22.578 36.097 10.838 1129 1HE2 GLN 129 2HE2 GLN 129 19.775 34.666 8.188 1130 2HE2 GLN 129 1HE2 GLN 129 21.038 33.646 8.683 1131 H GLY 130 H GLY 130 25.453 32.874 9.356 1132 1HA GLY 130 1HA GLY 130 27.037 32.718 6.838 1133 2HA GLY 130 2HA GLY 130 27.779 33.379 8.301 1134 H ILE 131 H ILE 131 26.695 30.457 6.728 1135 HA ILE 131 HA ILE 131 26.937 28.760 9.011 1136 HB ILE 131 HB ILE 131 26.193 28.530 6.243 1137 1HG1 ILE 131 1HG1 ILE 131 24.640 27.776 7.825 1138 2HG1 ILE 131 2HG1 ILE 131 25.323 26.298 7.136 1139 1HG2 ILE 131 2HG2 ILE 131 28.400 27.460 6.061 1140 2HG2 ILE 131 3HG2 ILE 131 27.904 26.341 7.349 1141 3HG2 ILE 131 1HG2 ILE 131 27.067 26.334 5.799 1142 1HD1 ILE 131 3HD1 ILE 131 27.139 26.653 9.006 1143 2HD1 ILE 131 1HD1 ILE 131 25.812 27.549 9.793 1144 3HD1 ILE 131 2HD1 ILE 131 25.592 25.843 9.365 1145 H LYS 132 H LYS 132 29.083 29.884 6.576 1146 HA LYS 132 HA LYS 132 31.457 29.802 6.582 1147 1HB LYS 132 1HB LYS 132 31.417 27.701 8.728 1148 2HB LYS 132 2HB LYS 132 32.660 28.900 8.379 1149 1HG LYS 132 1HG LYS 132 30.065 29.229 9.817 1150 2HG LYS 132 2HG LYS 132 31.664 29.810 10.272 1151 1HD LYS 132 1HD LYS 132 31.313 31.108 7.906 1152 2HD LYS 132 2HD LYS 132 29.652 31.035 8.484 1153 1HE LYS 132 1HE LYS 132 30.104 32.342 10.356 1154 2HE LYS 132 2HE LYS 132 31.809 31.889 10.384 1155 1HZ LYS 132 2HZ LYS 132 30.746 33.411 8.102 1156 2HZ LYS 132 3HZ LYS 132 31.115 34.224 9.548 1157 3HZ LYS 132 1HZ LYS 132 32.326 33.369 8.724 1158 H HIS 133 H HIS 133 29.699 26.759 7.284 1159 HA HIS 133 HA HIS 133 30.834 25.757 4.711 1160 1HB HIS 133 1HB HIS 133 31.684 24.807 7.368 1161 2HB HIS 133 2HB HIS 133 31.443 23.590 6.116 1162 HD1 HIS 133 HD1 HIS 133 32.368 25.313 3.677 1163 HD2 HIS 133 HD2 HIS 133 34.435 24.994 7.273 1164 HE1 HIS 133 HE1 HIS 133 34.780 25.887 3.158 1165 H GLU 134 H GLU 134 28.524 25.568 4.103 1166 HA GLU 134 HA GLU 134 26.786 23.799 5.524 1167 1HB GLU 134 1HB GLU 134 26.270 25.379 3.509 1168 2HB GLU 134 2HB GLU 134 26.704 23.948 2.573 1169 1HG GLU 134 1HG GLU 134 24.942 22.702 3.386 1170 2HG GLU 134 2HG GLU 134 24.838 23.647 4.868 1171 H CYS 135 H CYS 135 27.555 21.860 5.977 1172 HA CYS 135 HA CYS 135 28.775 20.199 3.801 1173 1HB CYS 135 1HB CYS 135 30.224 21.077 5.895 1174 2HB CYS 135 2HB CYS 135 29.532 19.627 6.625 1175 HG CYS 135 HG CYS 135 31.388 18.486 5.415 1176 H GLN 136 H GLN 136 27.317 18.582 3.349 1177 HA GLN 136 HA GLN 136 25.599 17.562 5.532 1178 1HB GLN 136 1HB GLN 136 24.587 18.042 3.307 1179 2HB GLN 136 2HB GLN 136 25.624 16.804 2.595 1180 1HG GLN 136 1HG GLN 136 24.528 15.056 3.718 1181 2HG GLN 136 2HG GLN 136 23.867 16.129 4.945 1182 1HE2 GLN 136 2HE2 GLN 136 21.051 17.063 2.994 1183 2HE2 GLN 136 1HE2 GLN 136 22.011 17.513 4.312 1184 H ALA 137 H ALA 137 25.426 15.217 5.887 1185 HA ALA 137 HA ALA 137 27.698 13.552 4.984 1186 1HB ALA 137 2HB ALA 137 27.334 14.563 7.774 1187 2HB ALA 137 3HB ALA 137 27.932 12.923 7.532 1188 3HB ALA 137 1HB ALA 137 28.822 14.288 6.865 1189 H ASN 138 H ASN 138 26.584 11.850 4.245 1190 HA ASN 138 HA ASN 138 24.355 10.816 5.935 1191 1HB ASN 138 1HB ASN 138 24.867 10.434 2.976 1192 2HB ASN 138 2HB ASN 138 23.604 9.582 3.879 1193 1HD2 ASN 138 2HD2 ASN 138 23.165 13.696 3.629 1194 2HD2 ASN 138 1HD2 ASN 138 24.723 13.046 3.800 1195 H GLY 139 H GLY 139 26.694 10.565 6.700 1196 1HA GLY 139 1HA GLY 139 27.185 7.929 7.410 1197 2HA GLY 139 2HA GLY 139 28.276 8.301 6.047 1198 HA PRO 140 HA PRO 140 29.144 10.844 10.008 1199 1HB PRO 140 1HB PRO 140 30.752 9.117 11.477 1200 2HB PRO 140 2HB PRO 140 29.022 9.373 11.765 1201 1HG PRO 140 1HG PRO 140 30.386 7.091 10.377 1202 2HG PRO 140 2HG PRO 140 28.908 7.085 11.358 1203 1HD PRO 140 1HD PRO 140 28.909 7.021 8.573 1204 2HD PRO 140 2HD PRO 140 27.554 7.636 9.542 1205 H GLU 141 H GLU 141 30.609 9.115 7.538 1206 HA GLU 141 HA GLU 141 33.383 9.968 7.968 1207 1HB GLU 141 1HB GLU 141 33.700 8.127 6.707 1208 2HB GLU 141 2HB GLU 141 31.962 8.013 6.382 1209 1HG GLU 141 1HG GLU 141 32.143 9.629 4.590 1210 2HG GLU 141 2HG GLU 141 33.849 9.894 4.951 1211 H ASP 142 H ASP 142 30.510 11.058 6.162 1212 HA ASP 142 HA ASP 142 31.994 12.690 4.300 1213 1HB ASP 142 1HB ASP 142 29.217 12.259 5.039 1214 2HB ASP 142 2HB ASP 142 29.548 13.981 4.851 1215 H LEU 143 H LEU 143 31.313 12.811 7.614 1216 HA LEU 143 HA LEU 143 31.754 15.656 8.024 1217 1HB LEU 143 1HB LEU 143 31.555 13.256 9.850 1218 2HB LEU 143 2HB LEU 143 31.757 14.906 10.427 1219 HG LEU 143 HG LEU 143 29.623 15.075 8.641 1220 1HD1 LEU 143 3HD1 LEU 143 29.523 12.589 8.670 1221 2HD1 LEU 143 1HD1 LEU 143 29.331 12.637 10.422 1222 3HD1 LEU 143 2HD1 LEU 143 28.084 13.320 9.380 1223 1HD2 LEU 143 1HD2 LEU 143 30.115 16.057 11.000 1224 2HD2 LEU 143 2HD2 LEU 143 28.434 15.766 10.550 1225 3HD2 LEU 143 3HD2 LEU 143 29.279 14.625 11.598 1226 H ASN 144 H ASN 144 33.460 12.730 7.829 1227 HA ASN 144 HA ASN 144 35.618 12.626 9.290 1228 1HB ASN 144 1HB ASN 144 35.223 11.233 7.309 1229 2HB ASN 144 2HB ASN 144 35.696 12.571 6.276 1230 1HD2 ASN 144 2HD2 ASN 144 38.675 11.322 8.727 1231 2HD2 ASN 144 1HD2 ASN 144 37.115 11.603 9.347 1232 H ARG 145 H ARG 145 37.045 14.022 10.014 1233 HA ARG 145 HA ARG 145 37.254 16.718 9.217 1234 1HB ARG 145 1HB ARG 145 39.683 16.412 10.267 1235 2HB ARG 145 2HB ARG 145 38.234 16.463 11.267 1236 1HG ARG 145 1HG ARG 145 38.414 14.275 11.850 1237 2HG ARG 145 2HG ARG 145 38.863 13.784 10.211 1238 1HD ARG 145 1HD ARG 145 41.115 14.070 10.597 1239 2HD ARG 145 2HD ARG 145 40.859 15.380 11.749 1240 HE ARG 145 HE ARG 145 39.848 13.016 12.935 1241 1HH1 ARG 145 1HH1 ARG 145 42.510 15.035 12.868 1242 2HH1 ARG 145 2HH1 ARG 145 43.628 13.886 13.524 1243 1HH2 ARG 145 1HH2 ARG 145 41.411 11.226 13.338 1244 2HH2 ARG 145 2HH2 ARG 145 43.005 11.730 13.791 1245 H ALA 146 H ALA 146 38.933 13.898 8.004 1246 HA ALA 146 HA ALA 146 40.964 15.221 6.474 1247 1HB ALA 146 1HB ALA 146 40.563 12.678 6.963 1248 2HB ALA 146 2HB ALA 146 39.477 12.762 5.563 1249 3HB ALA 146 3HB ALA 146 41.201 13.136 5.380 1250 H CYS 147 H CYS 147 37.644 14.333 6.013 1251 HA CYS 147 HA CYS 147 37.430 15.336 3.262 1252 1HB CYS 147 1HB CYS 147 35.897 13.827 5.106 1253 2HB CYS 147 2HB CYS 147 34.938 15.198 4.543 1254 HG CYS 147 HG CYS 147 35.764 14.282 2.034 1255 H ILE 148 H ILE 148 36.994 16.555 6.455 1256 HA ILE 148 HA ILE 148 35.566 18.906 5.582 1257 HB ILE 148 HB ILE 148 37.081 18.179 8.086 1258 1HG1 ILE 148 1HG1 ILE 148 35.405 16.658 8.248 1259 2HG1 ILE 148 2HG1 ILE 148 34.460 18.042 8.786 1260 1HG2 ILE 148 2HG2 ILE 148 35.283 20.390 7.249 1261 2HG2 ILE 148 3HG2 ILE 148 35.526 19.999 8.957 1262 3HG2 ILE 148 1HG2 ILE 148 36.898 20.453 7.944 1263 1HD1 ILE 148 2HD1 ILE 148 34.612 17.031 5.918 1264 2HD1 ILE 148 3HD1 ILE 148 33.296 16.666 7.047 1265 3HD1 ILE 148 1HD1 ILE 148 33.575 18.338 6.512 1266 H ALA 149 H ALA 149 38.547 17.475 5.734 1267 HA ALA 149 HA ALA 149 40.219 19.887 5.540 1268 1HB ALA 149 1HB ALA 149 40.732 16.922 5.696 1269 2HB ALA 149 2HB ALA 149 42.023 18.081 5.391 1270 3HB ALA 149 3HB ALA 149 41.114 18.136 6.901 1271 H GLU 150 H GLU 150 38.203 18.923 3.712 1272 HA GLU 150 HA GLU 150 39.679 18.993 1.154 1273 1HB GLU 150 1HB GLU 150 37.319 17.268 1.962 1274 2HB GLU 150 2HB GLU 150 37.828 17.520 0.287 1275 1HG GLU 150 1HG GLU 150 40.124 16.887 1.837 1276 2HG GLU 150 2HG GLU 150 38.883 15.686 2.184 1277 H LYS 151 H LYS 151 36.746 19.410 3.023 1278 HA LYS 151 HA LYS 151 35.420 21.177 1.147 1279 1HB LYS 151 1HB LYS 151 33.752 20.655 2.582 1280 2HB LYS 151 2HB LYS 151 34.901 19.959 3.726 1281 1HG LYS 151 1HG LYS 151 35.295 22.070 4.746 1282 2HG LYS 151 2HG LYS 151 34.429 22.926 3.469 1283 1HD LYS 151 1HD LYS 151 33.213 20.948 5.431 1284 2HD LYS 151 2HD LYS 151 32.989 22.701 5.462 1285 1HE LYS 151 1HE LYS 151 32.062 20.778 3.309 1286 2HE LYS 151 2HE LYS 151 31.053 21.743 4.382 1287 1HZ LYS 151 1HZ LYS 151 32.716 23.541 3.149 1288 2HZ LYS 151 2HZ LYS 151 32.268 22.467 1.914 1289 3HZ LYS 151 3HZ LYS 151 31.076 23.283 2.808 1290 H LEU 152 H LEU 152 37.825 21.294 3.598 1291 HA LEU 152 HA LEU 152 38.185 24.243 3.223 1292 1HB LEU 152 1HB LEU 152 39.155 22.540 5.544 1293 2HB LEU 152 2HB LEU 152 39.314 24.283 5.385 1294 HG LEU 152 HG LEU 152 36.540 23.559 5.129 1295 1HD1 LEU 152 1HD1 LEU 152 38.115 21.980 6.986 1296 2HD1 LEU 152 2HD1 LEU 152 36.925 22.961 7.853 1297 3HD1 LEU 152 3HD1 LEU 152 36.400 21.841 6.592 1298 1HD2 LEU 152 2HD2 LEU 152 38.205 25.075 7.166 1299 2HD2 LEU 152 3HD2 LEU 152 37.332 25.760 5.794 1300 3HD2 LEU 152 1HD2 LEU 152 36.440 25.071 7.152 1301 H GLY 153 H GLY 153 39.620 21.025 3.622 1302 1HA GLY 153 1HA GLY 153 42.295 21.968 2.818 1303 2HA GLY 153 2HA GLY 153 41.869 20.356 3.328 1304 H GLY 154 H GLY 154 39.682 21.555 1.184 1305 1HA GLY 154 1HA GLY 154 40.938 19.973 -1.024 1306 2HA GLY 154 2HA GLY 154 39.218 20.354 -0.932 1307 H SER 155 H SER 155 41.159 22.926 0.062 1308 HA SER 155 HA SER 155 41.319 24.117 -2.636 1309 1HB SER 155 1HB SER 155 39.141 24.653 -1.099 1310 2HB SER 155 2HB SER 155 40.243 25.910 -0.545 1311 HG SER 155 HG SER 155 38.849 26.255 -2.527 1312 H LEU 156 H LEU 156 41.626 25.437 0.717 1313 HA LEU 156 HA LEU 156 44.521 25.591 0.377 1314 1HB LEU 156 1HB LEU 156 43.652 28.267 0.864 1315 2HB LEU 156 2HB LEU 156 44.684 27.663 -0.425 1316 HG LEU 156 HG LEU 156 41.763 27.148 -0.671 1317 1HD1 LEU 156 3HD1 LEU 156 41.977 29.521 0.134 1318 2HD1 LEU 156 1HD1 LEU 156 42.955 29.854 -1.295 1319 3HD1 LEU 156 2HD1 LEU 156 41.272 29.360 -1.474 1320 1HD2 LEU 156 3HD2 LEU 156 44.129 27.151 -2.310 1321 2HD2 LEU 156 1HD2 LEU 156 42.511 26.575 -2.713 1322 3HD2 LEU 156 2HD2 LEU 156 42.943 28.264 -2.994 1323 H ILE 157 H ILE 157 43.970 24.331 2.581 1324 HA ILE 157 HA ILE 157 43.771 26.500 4.611 1325 HB ILE 157 HB ILE 157 43.252 24.637 6.229 1326 1HG1 ILE 157 1HG1 ILE 157 42.711 23.192 3.635 1327 2HG1 ILE 157 2HG1 ILE 157 43.986 22.757 4.800 1328 1HG2 ILE 157 1HG2 ILE 157 41.651 26.107 4.415 1329 2HG2 ILE 157 2HG2 ILE 157 40.969 24.484 4.506 1330 3HG2 ILE 157 3HG2 ILE 157 41.178 25.433 5.975 1331 1HD1 ILE 157 3HD1 ILE 157 41.889 23.003 6.450 1332 2HD1 ILE 157 1HD1 ILE 157 41.060 22.444 4.993 1333 3HD1 ILE 157 2HD1 ILE 157 42.348 21.468 5.692 1334 H VAL 158 H VAL 158 44.884 23.942 6.268 1335 HA VAL 158 HA VAL 158 47.638 23.766 5.508 1336 HB VAL 158 HB VAL 158 46.798 25.952 7.366 1337 1HG1 VAL 158 2HG1 VAL 158 49.256 24.219 7.706 1338 2HG1 VAL 158 3HG1 VAL 158 49.141 25.850 8.367 1339 3HG1 VAL 158 1HG1 VAL 158 48.026 24.596 8.911 1340 1HG2 VAL 158 3HG2 VAL 158 48.725 25.499 5.126 1341 2HG2 VAL 158 1HG2 VAL 158 47.645 26.861 5.424 1342 3HG2 VAL 158 2HG2 VAL 158 49.147 26.713 6.335 1343 H ALA 159 H ALA 159 45.089 23.452 7.818 1344 HA ALA 159 HA ALA 159 46.362 21.062 8.992 1345 1HB ALA 159 3HB ALA 159 45.015 23.339 10.440 1346 2HB ALA 159 1HB ALA 159 45.255 21.752 11.166 1347 3HB ALA 159 2HB ALA 159 46.648 22.728 10.701 1348 H PHE 160 H PHE 160 44.849 19.550 9.679 1349 HA PHE 160 HA PHE 160 42.684 18.503 9.725 1350 1HB PHE 160 1HB PHE 160 41.896 21.134 8.992 1351 2HB PHE 160 2HB PHE 160 41.326 20.076 7.699 1352 HD1 PHE 160 HD1 PHE 160 41.868 19.357 11.282 1353 HD2 PHE 160 HD2 PHE 160 39.023 19.849 8.129 1354 HE1 PHE 160 HE1 PHE 160 40.060 18.593 12.812 1355 HE2 PHE 160 HE2 PHE 160 37.204 19.084 9.651 1356 HZ PHE 160 HZ PHE 160 37.722 18.459 11.981 1357 H GLU 161 H GLU 161 43.953 20.174 6.983 1358 HA GLU 161 HA GLU 161 44.007 17.708 5.337 1359 1HB GLU 161 1HB GLU 161 42.906 20.070 4.643 1360 2HB GLU 161 2HB GLU 161 44.570 20.401 4.170 1361 1HG GLU 161 1HG GLU 161 43.211 17.834 3.362 1362 2HG GLU 161 2HG GLU 161 43.019 19.304 2.413 1363 H GLY 162 H GLY 162 45.808 19.985 7.195 1364 1HA GLY 162 1HA GLY 162 48.305 19.117 5.786 1365 2HA GLY 162 2HA GLY 162 48.118 20.695 6.520 1366 H CYS 163 H CYS 163 48.012 20.745 8.967 1367 HA CYS 163 HA CYS 163 50.070 19.148 10.070 1368 1HB CYS 163 1HB CYS 163 48.360 21.293 11.022 1369 2HB CYS 163 2HB CYS 163 48.807 20.146 12.286 1370 HG CYS 163 HG CYS 163 50.687 22.143 11.007 1371 HA PRO 164 HA PRO 164 47.095 16.697 12.771 1372 1HB PRO 164 1HB PRO 164 44.399 17.241 12.552 1373 2HB PRO 164 2HB PRO 164 45.475 17.982 13.752 1374 1HG PRO 164 1HG PRO 164 44.359 19.142 11.243 1375 2HG PRO 164 2HG PRO 164 44.825 19.958 12.740 1376 1HD PRO 164 1HD PRO 164 46.405 19.953 10.416 1377 2HD PRO 164 2HD PRO 164 46.998 20.270 12.048 1378 H VAL 165 H VAL 165 45.625 17.570 9.631 1379 HA VAL 165 HA VAL 165 45.873 14.729 8.849 1380 HB VAL 165 HB VAL 165 43.282 15.168 7.951 1381 1HG1 VAL 165 3HG1 VAL 165 44.328 13.101 8.914 1382 2HG1 VAL 165 1HG1 VAL 165 44.080 13.779 10.523 1383 3HG1 VAL 165 2HG1 VAL 165 42.693 13.409 9.499 1384 1HG2 VAL 165 3HG2 VAL 165 43.611 17.017 10.016 1385 2HG2 VAL 165 1HG2 VAL 165 42.074 16.394 9.425 1386 3HG2 VAL 165 2HG2 VAL 165 42.860 15.640 10.811 No H/Q in entry = 1386 Start of MODEL 2 1 1H THR -8 1H THR -8 -11.422 27.801 -5.253 2 2H THR -8 2H THR -8 -10.184 28.137 -6.366 3 3H THR -8 3H THR -8 -11.745 27.756 -6.918 4 HA THR -8 HA THR -8 -11.458 25.555 -6.695 5 HB THR -8 HB THR -8 -8.525 26.145 -6.365 6 HG1 THR -8 HG1 THR -8 -8.708 27.517 -7.929 7 1HG2 THR -8 1HG2 THR -8 -10.237 24.023 -7.447 8 2HG2 THR -8 2HG2 THR -8 -8.942 24.501 -8.545 9 3HG2 THR -8 3HG2 THR -8 -8.557 23.952 -6.915 10 H MET -7 H MET -7 -11.864 24.207 -5.001 11 HA MET -7 HA MET -7 -11.474 24.746 -2.303 12 1HB MET -7 1HB MET -7 -11.210 21.992 -3.549 13 2HB MET -7 2HB MET -7 -11.681 22.355 -1.890 14 1HG MET -7 1HG MET -7 -13.662 23.610 -2.795 15 2HG MET -7 2HG MET -7 -13.224 23.044 -4.407 16 1HE MET -7 1HE MET -7 -14.745 21.579 -5.301 17 2HE MET -7 2HE MET -7 -13.316 20.552 -5.210 18 3HE MET -7 3HE MET -7 -14.909 19.895 -4.807 19 H ILE -6 H ILE -6 -9.734 24.598 -0.878 20 HA ILE -6 HA ILE -6 -7.307 23.156 -1.561 21 HB ILE -6 HB ILE -6 -7.051 25.148 -3.019 22 1HG1 ILE -6 1HG1 ILE -6 -5.191 25.351 -0.635 23 2HG1 ILE -6 2HG1 ILE -6 -5.094 24.037 -1.807 24 1HG2 ILE -6 3HG2 ILE -6 -8.416 26.559 -1.273 25 2HG2 ILE -6 1HG2 ILE -6 -6.836 26.835 -0.539 26 3HG2 ILE -6 2HG2 ILE -6 -7.137 27.339 -2.202 27 1HD1 ILE -6 3HD1 ILE -6 -5.126 26.095 -3.524 28 2HD1 ILE -6 1HD1 ILE -6 -4.425 26.925 -2.135 29 3HD1 ILE -6 2HD1 ILE -6 -3.627 25.503 -2.807 30 H THR -5 H THR -5 -5.600 23.554 0.126 31 HA THR -5 HA THR -5 -6.665 24.715 2.648 32 HB THR -5 HB THR -5 -5.489 22.580 3.713 33 HG1 THR -5 HG1 THR -5 -4.869 21.408 2.048 34 1HG2 THR -5 2HG2 THR -5 -8.251 22.936 2.604 35 2HG2 THR -5 3HG2 THR -5 -7.817 21.397 3.346 36 3HG2 THR -5 1HG2 THR -5 -7.721 22.888 4.284 37 HA PRO -4 HA PRO -4 -2.404 26.079 1.919 38 1HB PRO -4 1HB PRO -4 -2.778 28.513 3.147 39 2HB PRO -4 2HB PRO -4 -3.174 28.194 1.449 40 1HG PRO -4 1HG PRO -4 -5.011 28.479 3.782 41 2HG PRO -4 2HG PRO -4 -5.316 28.797 2.067 42 1HD PRO -4 1HD PRO -4 -6.149 26.505 3.492 43 2HD PRO -4 2HD PRO -4 -6.129 26.682 1.724 44 H SER -3 H SER -3 -1.692 24.451 3.495 45 HA SER -3 HA SER -3 -1.501 25.518 6.286 46 1HB SER -3 1HB SER -3 -0.928 22.654 5.859 47 2HB SER -3 2HB SER -3 -1.885 23.433 7.114 48 HG SER -3 HG SER -3 -3.580 22.941 5.992 49 H SER -2 H SER -2 0.520 23.368 6.849 50 HA SER -2 HA SER -2 2.755 23.592 5.106 51 1HB SER -2 1HB SER -2 4.083 25.202 6.672 52 2HB SER -2 2HB SER -2 2.967 25.894 5.499 53 HG SER -2 HG SER -2 2.536 26.813 7.478 54 H GLY -1 H GLY -1 2.858 21.379 5.841 55 1HA GLY -1 1HA GLY -1 3.610 20.966 8.691 56 2HA GLY -1 2HA GLY -1 3.198 19.686 7.544 57 H ASN 0 H ASN 0 5.475 19.089 8.780 58 HA ASN 0 HA ASN 0 7.633 20.164 7.036 59 1HB ASN 0 1HB ASN 0 8.818 18.648 9.094 60 2HB ASN 0 2HB ASN 0 8.808 20.409 8.946 61 1HD2 ASN 0 2HD2 ASN 0 6.124 20.837 11.291 62 2HD2 ASN 0 1HD2 ASN 0 6.879 21.546 9.947 63 H SER 1 H SER 1 5.628 17.832 6.638 64 HA SER 1 HA SER 1 7.049 15.374 6.632 65 1HB SER 1 1HB SER 1 5.373 14.565 5.219 66 2HB SER 1 2HB SER 1 4.555 15.948 5.943 67 HG SER 1 HG SER 1 5.224 15.498 3.370 68 H ALA 2 H ALA 2 6.980 18.053 4.331 69 HA ALA 2 HA ALA 2 9.352 16.840 2.971 70 1HB ALA 2 3HB ALA 2 6.929 17.471 1.796 71 2HB ALA 2 1HB ALA 2 7.895 18.913 1.480 72 3HB ALA 2 2HB ALA 2 8.464 17.334 0.937 73 H SER 3 H SER 3 9.626 18.331 5.287 74 HA SER 3 HA SER 3 11.171 19.987 5.965 75 1HB SER 3 1HB SER 3 12.414 21.080 4.427 76 2HB SER 3 2HB SER 3 11.622 20.012 3.272 77 HG SER 3 HG SER 3 10.907 22.658 4.009 78 H GLY 4 H GLY 4 9.778 20.733 7.434 79 1HA GLY 4 1HA GLY 4 8.270 23.201 6.739 80 2HA GLY 4 2HA GLY 4 7.448 21.921 7.634 81 H VAL 5 H VAL 5 10.624 21.828 8.478 82 HA VAL 5 HA VAL 5 10.539 22.281 11.146 83 HB VAL 5 HB VAL 5 12.639 21.689 10.467 84 1HG1 VAL 5 2HG1 VAL 5 12.165 23.596 8.194 85 2HG1 VAL 5 3HG1 VAL 5 13.762 22.907 8.490 86 3HG1 VAL 5 1HG1 VAL 5 12.395 21.847 8.131 87 1HG2 VAL 5 3HG2 VAL 5 12.784 24.686 10.731 88 2HG2 VAL 5 1HG2 VAL 5 13.182 23.452 11.927 89 3HG2 VAL 5 2HG2 VAL 5 14.218 23.686 10.522 90 H GLN 6 H GLN 6 11.260 24.057 12.463 91 HA GLN 6 HA GLN 6 10.390 26.719 11.483 92 1HB GLN 6 1HB GLN 6 9.811 25.930 14.290 93 2HB GLN 6 2HB GLN 6 8.879 26.978 13.207 94 1HG GLN 6 1HG GLN 6 7.603 25.226 12.563 95 2HG GLN 6 2HG GLN 6 9.050 24.319 12.136 96 1HE2 GLN 6 2HE2 GLN 6 9.397 22.889 15.399 97 2HE2 GLN 6 1HE2 GLN 6 10.334 23.769 14.306 98 H VAL 7 H VAL 7 12.813 25.001 12.642 99 HA VAL 7 HA VAL 7 14.771 25.410 13.821 100 HB VAL 7 HB VAL 7 15.730 26.822 12.393 101 1HG1 VAL 7 1HG1 VAL 7 13.378 27.070 11.349 102 2HG1 VAL 7 2HG1 VAL 7 13.314 28.610 12.207 103 3HG1 VAL 7 3HG1 VAL 7 14.565 28.323 10.998 104 1HG2 VAL 7 1HG2 VAL 7 16.010 28.017 14.552 105 2HG2 VAL 7 2HG2 VAL 7 15.930 29.150 13.193 106 3HG2 VAL 7 3HG2 VAL 7 14.523 28.917 14.228 107 H ALA 8 H ALA 8 15.317 25.612 15.713 108 HA ALA 8 HA ALA 8 13.661 26.742 17.776 109 1HB ALA 8 2HB ALA 8 15.993 25.111 17.386 110 2HB ALA 8 3HB ALA 8 16.332 26.317 18.629 111 3HB ALA 8 1HB ALA 8 14.971 25.202 18.823 112 H ASP 9 H ASP 9 14.290 28.679 19.054 113 HA ASP 9 HA ASP 9 15.593 30.712 17.426 114 1HB ASP 9 1HB ASP 9 14.762 30.620 20.321 115 2HB ASP 9 2HB ASP 9 15.617 31.992 19.618 116 H GLU 10 H GLU 10 16.496 28.325 19.748 117 HA GLU 10 HA GLU 10 18.984 29.377 20.621 118 1HB GLU 10 1HB GLU 10 18.455 27.519 21.865 119 2HB GLU 10 2HB GLU 10 17.653 26.718 20.518 120 1HG GLU 10 1HG GLU 10 19.549 25.646 19.867 121 2HG GLU 10 2HG GLU 10 20.576 27.032 20.216 122 H VAL 11 H VAL 11 17.882 28.257 17.558 123 HA VAL 11 HA VAL 11 20.458 27.403 16.497 124 HB VAL 11 HB VAL 11 18.033 27.070 15.522 125 1HG1 VAL 11 2HG1 VAL 11 18.854 29.764 14.414 126 2HG1 VAL 11 3HG1 VAL 11 17.660 28.724 13.652 127 3HG1 VAL 11 1HG1 VAL 11 17.367 29.359 15.268 128 1HG2 VAL 11 3HG2 VAL 11 20.204 26.278 14.560 129 2HG2 VAL 11 1HG2 VAL 11 19.002 26.697 13.340 130 3HG2 VAL 11 2HG2 VAL 11 20.323 27.809 13.692 131 H CYS 12 H CYS 12 18.677 30.482 16.673 132 HA CYS 12 HA CYS 12 20.782 31.928 15.242 133 1HB CYS 12 1HB CYS 12 18.470 32.754 15.204 134 2HB CYS 12 2HB CYS 12 18.479 32.911 16.960 135 HG CYS 12 HG CYS 12 19.252 35.125 15.329 136 H ARG 13 H ARG 13 20.798 30.462 18.163 137 HA ARG 13 HA ARG 13 22.529 32.553 19.416 138 1HB ARG 13 1HB ARG 13 20.607 30.548 20.537 139 2HB ARG 13 2HB ARG 13 22.063 30.898 21.472 140 1HG ARG 13 1HG ARG 13 20.327 33.103 20.371 141 2HG ARG 13 2HG ARG 13 19.989 32.358 21.934 142 1HD ARG 13 1HD ARG 13 22.760 33.349 21.312 143 2HD ARG 13 2HD ARG 13 21.522 34.481 21.853 144 HE ARG 13 HE ARG 13 22.971 32.925 23.619 145 1HH1 ARG 13 1HH2 ARG 13 19.977 34.336 23.453 146 2HH1 ARG 13 2HH2 ARG 13 19.218 33.328 24.639 147 1HH2 ARG 13 1HH1 ARG 13 21.867 31.097 24.824 148 2HH2 ARG 13 2HH1 ARG 13 20.288 31.495 25.416 149 H ILE 14 H ILE 14 22.314 29.427 18.033 150 HA ILE 14 HA ILE 14 24.650 28.277 19.320 151 HB ILE 14 HB ILE 14 23.205 27.593 16.741 152 1HG1 ILE 14 1HG1 ILE 14 23.262 25.796 19.122 153 2HG1 ILE 14 2HG1 ILE 14 22.248 27.231 19.237 154 1HG2 ILE 14 1HG2 ILE 14 25.664 26.986 16.873 155 2HG2 ILE 14 2HG2 ILE 14 25.267 26.007 18.282 156 3HG2 ILE 14 3HG2 ILE 14 24.579 25.593 16.710 157 1HD1 ILE 14 1HD1 ILE 14 21.888 25.976 16.637 158 2HD1 ILE 14 2HD1 ILE 14 21.622 24.807 17.934 159 3HD1 ILE 14 3HD1 ILE 14 20.689 26.292 17.899 160 H PHE 15 H PHE 15 23.996 29.393 15.999 161 HA PHE 15 HA PHE 15 26.700 29.529 15.115 162 1HB PHE 15 1HB PHE 15 25.402 30.024 13.292 163 2HB PHE 15 2HB PHE 15 24.074 30.620 14.291 164 HD1 PHE 15 HD2 PHE 15 27.257 31.534 12.625 165 HD2 PHE 15 HD1 PHE 15 23.863 32.934 14.849 166 HE1 PHE 15 HE2 PHE 15 27.852 33.878 12.061 167 HE2 PHE 15 HE1 PHE 15 24.451 35.263 14.291 168 HZ PHE 15 HZ PHE 15 26.446 35.745 12.891 169 H TYR 16 H TYR 16 24.573 31.867 16.782 170 HA TYR 16 HA TYR 16 26.221 34.072 17.163 171 1HB TYR 16 1HB TYR 16 24.337 32.625 19.015 172 2HB TYR 16 2HB TYR 16 25.286 33.975 19.618 173 HD1 TYR 16 HD1 TYR 16 24.723 34.509 16.199 174 HD2 TYR 16 HD2 TYR 16 22.753 34.662 20.002 175 HE1 TYR 16 HE1 TYR 16 23.053 36.079 15.269 176 HE2 TYR 16 HE2 TYR 16 21.082 36.230 19.082 177 HH TYR 16 HH TYR 16 21.194 37.236 15.664 178 H ASP 17 H ASP 17 26.208 31.030 19.065 179 HA ASP 17 HA ASP 17 28.240 31.745 20.899 180 1HB ASP 17 1HB ASP 17 27.309 29.131 19.757 181 2HB ASP 17 2HB ASP 17 28.730 29.168 20.800 182 H MET 18 H MET 18 28.502 30.297 17.712 183 HA MET 18 HA MET 18 31.225 29.727 17.594 184 1HB MET 18 1HB MET 18 29.220 30.626 15.550 185 2HB MET 18 2HB MET 18 30.904 30.392 15.104 186 1HG MET 18 1HG MET 18 29.466 28.348 14.771 187 2HG MET 18 2HG MET 18 30.849 28.089 15.828 188 1HE MET 18 3HE MET 18 29.902 26.168 16.102 189 2HE MET 18 1HE MET 18 30.007 26.193 17.867 190 3HE MET 18 2HE MET 18 28.511 25.695 17.068 191 H LYS 19 H LYS 19 30.284 32.424 15.566 192 HA LYS 19 HA LYS 19 32.778 33.803 16.151 193 1HB LYS 19 1HB LYS 19 30.474 34.933 14.629 194 2HB LYS 19 2HB LYS 19 32.193 35.256 14.396 195 1HG LYS 19 1HG LYS 19 31.421 32.415 14.093 196 2HG LYS 19 2HG LYS 19 30.741 33.494 12.877 197 1HD LYS 19 1HD LYS 19 33.536 34.109 13.380 198 2HD LYS 19 2HD LYS 19 33.325 32.425 12.895 199 1HE LYS 19 1HE LYS 19 33.335 33.300 10.787 200 2HE LYS 19 2HE LYS 19 31.643 33.645 11.147 201 1HZ LYS 19 1HZ LYS 19 33.623 35.597 12.031 202 2HZ LYS 19 2HZ LYS 19 33.321 35.507 10.362 203 3HZ LYS 19 3HZ LYS 19 32.051 35.838 11.441 204 H VAL 20 H VAL 20 29.409 34.900 16.322 205 HA VAL 20 HA VAL 20 28.442 36.668 17.448 206 HB VAL 20 HB VAL 20 28.164 35.354 19.260 207 1HG1 VAL 20 2HG1 VAL 20 30.112 33.909 18.530 208 2HG1 VAL 20 3HG1 VAL 20 31.147 34.915 19.549 209 3HG1 VAL 20 1HG1 VAL 20 29.843 33.971 20.274 210 1HG2 VAL 20 3HG2 VAL 20 29.238 37.751 19.949 211 2HG2 VAL 20 1HG2 VAL 20 28.646 36.575 21.121 212 3HG2 VAL 20 2HG2 VAL 20 30.367 36.657 20.748 213 H ARG 21 H ARG 21 31.393 36.689 19.212 214 HA ARG 21 HA ARG 21 32.148 39.275 17.984 215 1HB ARG 21 1HB ARG 21 32.487 40.348 20.067 216 2HB ARG 21 2HB ARG 21 30.915 39.559 20.207 217 1HG ARG 21 1HG ARG 21 31.688 38.486 22.016 218 2HG ARG 21 2HG ARG 21 32.805 37.628 20.951 219 1HD ARG 21 1HD ARG 21 34.408 38.631 22.221 220 2HD ARG 21 2HD ARG 21 34.079 40.018 21.191 221 HE ARG 21 HE ARG 21 32.735 39.644 23.838 222 1HH1 ARG 21 1HH2 ARG 21 33.213 41.674 21.191 223 2HH1 ARG 21 2HH2 ARG 21 33.530 43.098 22.125 224 1HH2 ARG 21 1HH1 ARG 21 33.603 41.413 25.156 225 2HH2 ARG 21 2HH1 ARG 21 33.754 42.949 24.371 226 H LYS 22 H LYS 22 33.328 37.062 17.137 227 HA LYS 22 HA LYS 22 35.309 35.811 17.056 228 1HB LYS 22 1HB LYS 22 36.012 38.666 17.534 229 2HB LYS 22 2HB LYS 22 37.315 37.479 17.621 230 1HG LYS 22 1HG LYS 22 37.114 38.286 15.320 231 2HG LYS 22 2HG LYS 22 36.609 36.598 15.396 232 1HD LYS 22 1HD LYS 22 34.495 37.098 14.767 233 2HD LYS 22 2HD LYS 22 34.396 38.430 15.920 234 1HE LYS 22 1HE LYS 22 34.795 39.957 14.313 235 2HE LYS 22 2HE LYS 22 36.209 39.073 13.741 236 1HZ LYS 22 1HZ LYS 22 33.558 37.995 13.122 237 2HZ LYS 22 2HZ LYS 22 34.086 39.354 12.251 238 3HZ LYS 22 3HZ LYS 22 34.993 37.922 12.218 239 H CYS 23 H CYS 23 34.078 35.151 19.383 240 HA CYS 23 HA CYS 23 34.427 34.569 21.671 241 1HB CYS 23 1HB CYS 23 37.045 33.581 21.470 242 2HB CYS 23 2HB CYS 23 35.533 32.691 21.340 243 HG CYS 23 HG CYS 23 36.728 32.312 19.069 244 H SER 24 H SER 24 34.511 36.802 22.490 245 HA SER 24 HA SER 24 36.088 38.771 23.027 246 1HB SER 24 1HB SER 24 34.899 36.878 24.847 247 2HB SER 24 2HB SER 24 36.430 37.449 25.523 248 HG SER 24 HG SER 24 34.054 38.810 25.064 249 H THR 25 H THR 25 37.068 35.966 24.620 250 HA THR 25 HA THR 25 39.796 36.010 23.542 251 HB THR 25 HB THR 25 39.511 37.046 25.997 252 HG1 THR 25 HG1 THR 25 41.343 34.970 25.375 253 1HG2 THR 25 1HG2 THR 25 38.087 35.193 26.731 254 2HG2 THR 25 2HG2 THR 25 39.420 34.064 26.421 255 3HG2 THR 25 3HG2 THR 25 39.568 35.279 27.697 256 HA PRO 26 HA PRO 26 37.579 32.288 22.885 257 1HB PRO 26 1HB PRO 26 39.541 31.010 21.388 258 2HB PRO 26 2HB PRO 26 38.435 32.243 20.754 259 1HG PRO 26 1HG PRO 26 41.315 32.516 21.528 260 2HG PRO 26 2HG PRO 26 40.394 33.401 20.297 261 1HD PRO 26 1HD PRO 26 41.021 34.396 22.861 262 2HD PRO 26 2HD PRO 26 39.738 35.026 21.806 263 H GLU 27 H GLU 27 40.397 32.602 24.721 264 HA GLU 27 HA GLU 27 41.013 29.805 25.274 265 1HB GLU 27 1HB GLU 27 41.677 32.385 26.685 266 2HB GLU 27 2HB GLU 27 42.367 30.820 27.116 267 1HG GLU 27 1HG GLU 27 43.585 30.659 25.122 268 2HG GLU 27 2HG GLU 27 42.524 31.785 24.273 269 H GLU 28 H GLU 28 38.379 31.545 26.008 270 HA GLU 28 HA GLU 28 37.824 29.966 28.463 271 1HB GLU 28 1HB GLU 28 36.946 31.824 29.643 272 2HB GLU 28 2HB GLU 28 38.399 32.487 28.894 273 1HG GLU 28 1HG GLU 28 37.071 33.404 27.054 274 2HG GLU 28 2HG GLU 28 35.605 32.684 27.726 275 H ILE 29 H ILE 29 36.926 31.655 25.663 276 HA ILE 29 HA ILE 29 34.269 31.449 25.223 277 HB ILE 29 HB ILE 29 36.781 31.596 23.936 278 1HG1 ILE 29 1HG1 ILE 29 35.795 33.537 23.009 279 2HG1 ILE 29 2HG1 ILE 29 34.160 32.910 23.199 280 1HG2 ILE 29 2HG2 ILE 29 34.420 30.361 22.652 281 2HG2 ILE 29 3HG2 ILE 29 35.745 31.070 21.725 282 3HG2 ILE 29 1HG2 ILE 29 36.053 29.726 22.817 283 1HD1 ILE 29 1HD1 ILE 29 35.960 33.286 25.551 284 2HD1 ILE 29 2HD1 ILE 29 35.108 34.672 24.875 285 3HD1 ILE 29 3HD1 ILE 29 34.196 33.296 25.505 286 H LYS 30 H LYS 30 36.763 28.976 25.094 287 HA LYS 30 HA LYS 30 35.363 26.988 23.593 288 1HB LYS 30 1HB LYS 30 37.096 25.935 25.701 289 2HB LYS 30 2HB LYS 30 37.240 25.747 23.960 290 1HG LYS 30 1HG LYS 30 38.079 28.154 23.937 291 2HG LYS 30 2HG LYS 30 38.245 27.986 25.684 292 1HD LYS 30 1HD LYS 30 40.106 26.708 25.481 293 2HD LYS 30 2HD LYS 30 39.371 25.711 24.224 294 1HE LYS 30 1HE LYS 30 40.232 28.512 23.571 295 2HE LYS 30 2HE LYS 30 41.438 27.227 23.634 296 1HZ LYS 30 3HZ LYS 30 39.317 26.197 22.208 297 2HZ LYS 30 1HZ LYS 30 39.512 27.778 21.624 298 3HZ LYS 30 2HZ LYS 30 40.820 26.695 21.591 299 H LYS 31 H LYS 31 35.061 28.187 26.709 300 HA LYS 31 HA LYS 31 33.328 25.876 27.544 301 1HB LYS 31 1HB LYS 31 35.021 27.840 29.073 302 2HB LYS 31 2HB LYS 31 33.580 27.183 29.849 303 1HG LYS 31 1HG LYS 31 35.016 25.055 28.542 304 2HG LYS 31 2HG LYS 31 36.114 25.944 29.600 305 1HD LYS 31 1HD LYS 31 34.857 25.483 31.516 306 2HD LYS 31 2HD LYS 31 33.384 25.178 30.595 307 1HE LYS 31 1HE LYS 31 34.838 23.214 29.563 308 2HE LYS 31 2HE LYS 31 35.721 23.375 31.081 309 1HZ LYS 31 2HZ LYS 31 32.773 23.153 30.992 310 2HZ LYS 31 3HZ LYS 31 33.774 21.786 31.062 311 3HZ LYS 31 1HZ LYS 31 33.806 22.925 32.321 312 H ARG 32 H ARG 32 32.810 28.230 25.787 313 HA ARG 32 HA ARG 32 30.637 29.567 27.297 314 1HB ARG 32 1HB ARG 32 32.289 30.304 24.907 315 2HB ARG 32 2HB ARG 32 30.673 30.981 25.057 316 1HG ARG 32 1HG ARG 32 32.203 32.548 26.073 317 2HG ARG 32 2HG ARG 32 31.303 31.772 27.371 318 1HD ARG 32 1HD ARG 32 33.544 30.123 26.937 319 2HD ARG 32 2HD ARG 32 34.181 31.769 26.882 320 HE ARG 32 HE ARG 32 33.737 31.964 29.186 321 1HH1 ARG 32 1HH2 ARG 32 30.814 31.346 29.096 322 2HH1 ARG 32 2HH2 ARG 32 30.716 29.897 30.040 323 1HH2 ARG 32 1HH1 ARG 32 34.120 29.251 29.887 324 2HH2 ARG 32 2HH1 ARG 32 32.588 28.712 30.489 325 H LYS 33 H LYS 33 31.139 26.965 25.424 326 HA LYS 33 HA LYS 33 29.679 25.511 24.307 327 1HB LYS 33 1HB LYS 33 28.054 26.244 26.068 328 2HB LYS 33 2HB LYS 33 27.536 27.543 24.994 329 1HG LYS 33 1HG LYS 33 27.247 25.570 23.258 330 2HG LYS 33 2HG LYS 33 27.134 24.585 24.717 331 1HD LYS 33 1HD LYS 33 25.143 25.534 25.372 332 2HD LYS 33 2HD LYS 33 25.531 27.097 24.654 333 1HE LYS 33 1HE LYS 33 25.315 25.017 22.628 334 2HE LYS 33 2HE LYS 33 23.832 25.164 23.572 335 1HZ LYS 33 2HZ LYS 33 25.220 27.535 22.487 336 2HZ LYS 33 3HZ LYS 33 24.090 26.672 21.562 337 3HZ LYS 33 1HZ LYS 33 23.614 27.403 23.021 338 H LYS 34 H LYS 34 29.709 25.313 22.172 339 HA LYS 34 HA LYS 34 28.473 27.287 20.436 340 1HB LYS 34 1HB LYS 34 31.028 26.787 19.258 341 2HB LYS 34 2HB LYS 34 30.361 28.335 19.767 342 1HG LYS 34 1HG LYS 34 31.397 28.235 21.862 343 2HG LYS 34 2HG LYS 34 31.571 26.482 21.802 344 1HD LYS 34 1HD LYS 34 33.609 26.681 20.904 345 2HD LYS 34 2HD LYS 34 32.957 27.617 19.567 346 1HE LYS 34 1HE LYS 34 33.258 29.027 22.162 347 2HE LYS 34 2HE LYS 34 34.747 28.625 21.308 348 1HZ LYS 34 1HZ LYS 34 32.455 29.997 20.016 349 2HZ LYS 34 2HZ LYS 34 33.746 30.829 20.735 350 3HZ LYS 34 3HZ LYS 34 34.029 29.808 19.407 351 H ALA 35 H ALA 35 30.644 24.440 20.590 352 HA ALA 35 HA ALA 35 29.748 23.291 18.165 353 1HB ALA 35 3HB ALA 35 30.875 22.019 20.650 354 2HB ALA 35 1HB ALA 35 30.643 21.176 19.127 355 3HB ALA 35 2HB ALA 35 31.798 22.511 19.242 356 H VAL 36 H VAL 36 27.987 22.293 17.787 357 HA VAL 36 HA VAL 36 26.313 21.156 19.924 358 HB VAL 36 HB VAL 36 24.473 22.673 19.170 359 1HG1 VAL 36 3HG1 VAL 36 25.796 23.076 21.288 360 2HG1 VAL 36 1HG1 VAL 36 26.834 24.146 20.348 361 3HG1 VAL 36 2HG1 VAL 36 25.130 24.535 20.564 362 1HG2 VAL 36 2HG2 VAL 36 26.345 23.244 17.232 363 2HG2 VAL 36 3HG2 VAL 36 24.825 24.089 17.499 364 3HG2 VAL 36 1HG2 VAL 36 26.312 24.685 18.237 365 H ILE 37 H ILE 37 24.382 20.208 19.128 366 HA ILE 37 HA ILE 37 24.188 19.742 16.214 367 HB ILE 37 HB ILE 37 23.948 17.879 18.576 368 1HG1 ILE 37 1HG1 ILE 37 24.840 16.752 16.063 369 2HG1 ILE 37 2HG1 ILE 37 25.814 18.154 16.500 370 1HG2 ILE 37 3HG2 ILE 37 22.406 17.924 16.015 371 2HG2 ILE 37 1HG2 ILE 37 22.812 16.372 16.758 372 3HG2 ILE 37 2HG2 ILE 37 21.867 17.561 17.653 373 1HD1 ILE 37 2HD1 ILE 37 25.800 17.040 18.899 374 2HD1 ILE 37 3HD1 ILE 37 25.463 15.556 17.998 375 3HD1 ILE 37 1HD1 ILE 37 26.941 16.471 17.679 376 H PHE 38 H PHE 38 21.740 19.627 15.692 377 HA PHE 38 HA PHE 38 20.134 20.139 18.069 378 1HB PHE 38 1HB PHE 38 18.929 22.003 16.535 379 2HB PHE 38 2HB PHE 38 20.112 22.337 17.780 380 HD1 PHE 38 HD1 PHE 38 19.648 21.839 14.171 381 HD2 PHE 38 HD2 PHE 38 22.226 23.282 17.272 382 HE1 PHE 38 HE1 PHE 38 21.041 23.011 12.475 383 HE2 PHE 38 HE2 PHE 38 23.610 24.456 15.593 384 HZ PHE 38 HZ PHE 38 23.020 24.317 13.190 385 H CYS 39 H CYS 39 17.613 20.028 17.367 386 HA CYS 39 HA CYS 39 17.387 18.463 14.876 387 1HB CYS 39 1HB CYS 39 16.928 16.312 15.827 388 2HB CYS 39 2HB CYS 39 18.482 16.902 16.386 389 HG CYS 39 HG CYS 39 17.205 16.079 18.501 390 H LEU 40 H LEU 40 15.523 20.178 14.840 391 HA LEU 40 HA LEU 40 13.205 20.359 14.544 392 1HB LEU 40 1HB LEU 40 13.924 17.499 14.534 393 2HB LEU 40 2HB LEU 40 12.250 17.949 14.339 394 HG LEU 40 HG LEU 40 13.080 19.646 12.616 395 1HD1 LEU 40 1HD1 LEU 40 15.533 18.711 13.551 396 2HD1 LEU 40 2HD1 LEU 40 15.355 17.965 11.959 397 3HD1 LEU 40 3HD1 LEU 40 15.262 19.719 12.131 398 1HD2 LEU 40 1HD2 LEU 40 12.160 17.082 12.393 399 2HD2 LEU 40 2HD2 LEU 40 12.445 18.163 11.028 400 3HD2 LEU 40 3HD2 LEU 40 13.679 16.989 11.500 401 H SER 41 H SER 41 12.680 17.525 16.560 402 HA SER 41 HA SER 41 11.831 18.722 18.934 403 1HB SER 41 1HB SER 41 10.208 19.578 16.719 404 2HB SER 41 2HB SER 41 9.230 18.668 17.862 405 HG SER 41 HG SER 41 10.657 20.113 19.391 406 H ALA 42 H ALA 42 9.277 17.615 19.366 407 HA ALA 42 HA ALA 42 9.887 14.807 19.643 408 1HB ALA 42 3HB ALA 42 8.156 16.389 20.931 409 2HB ALA 42 1HB ALA 42 7.054 15.779 19.697 410 3HB ALA 42 2HB ALA 42 7.869 14.655 20.786 411 H ASP 43 H ASP 43 7.310 16.427 17.754 412 HA ASP 43 HA ASP 43 6.960 14.140 16.001 413 1HB ASP 43 1HB ASP 43 5.073 15.589 16.182 414 2HB ASP 43 2HB ASP 43 6.052 17.026 15.889 415 H LYS 44 H LYS 44 9.264 16.592 16.301 416 HA LYS 44 HA LYS 44 11.217 16.908 15.101 417 1HB LYS 44 1HB LYS 44 10.195 14.538 13.903 418 2HB LYS 44 2HB LYS 44 10.684 15.616 12.595 419 1HG LYS 44 1HG LYS 44 12.638 14.379 13.155 420 2HG LYS 44 2HG LYS 44 12.859 15.960 13.908 421 1HD LYS 44 1HD LYS 44 13.424 14.424 15.618 422 2HD LYS 44 2HD LYS 44 11.771 14.908 15.999 423 1HE LYS 44 1HE LYS 44 11.037 12.871 14.606 424 2HE LYS 44 2HE LYS 44 12.717 12.343 14.717 425 1HZ LYS 44 2HZ LYS 44 11.385 13.176 17.182 426 2HZ LYS 44 3HZ LYS 44 10.940 11.675 16.520 427 3HZ LYS 44 1HZ LYS 44 12.558 11.972 16.935 428 H LYS 45 H LYS 45 11.009 19.019 14.737 429 HA LYS 45 HA LYS 45 9.875 19.879 12.149 430 1HB LYS 45 1HB LYS 45 9.080 20.600 14.941 431 2HB LYS 45 2HB LYS 45 8.797 21.744 13.615 432 1HG LYS 45 1HG LYS 45 6.940 20.589 13.062 433 2HG LYS 45 2HG LYS 45 7.949 19.179 12.743 434 1HD LYS 45 1HD LYS 45 7.410 18.184 14.711 435 2HD LYS 45 2HD LYS 45 7.495 19.702 15.603 436 1HE LYS 45 1HE LYS 45 5.278 20.158 14.106 437 2HE LYS 45 2HE LYS 45 5.170 18.409 14.299 438 1HZ LYS 45 3HZ LYS 45 5.497 18.761 16.713 439 2HZ LYS 45 1HZ LYS 45 5.384 20.436 16.455 440 3HZ LYS 45 2HZ LYS 45 4.057 19.436 16.119 441 H CYS 46 H CYS 46 10.788 21.730 14.996 442 HA CYS 46 HA CYS 46 12.191 23.838 13.868 443 1HB CYS 46 1HB CYS 46 12.043 22.507 16.517 444 2HB CYS 46 2HB CYS 46 13.540 23.416 16.254 445 HG CYS 46 HG CYS 46 11.914 25.219 17.061 446 H ILE 47 H ILE 47 14.586 24.112 14.975 447 HA ILE 47 HA ILE 47 16.393 22.307 13.440 448 HB ILE 47 HB ILE 47 16.487 25.102 13.902 449 1HG1 ILE 47 1HG1 ILE 47 18.492 25.047 12.646 450 2HG1 ILE 47 2HG1 ILE 47 18.895 23.433 13.216 451 1HG2 ILE 47 2HG2 ILE 47 18.516 23.629 15.588 452 2HG2 ILE 47 3HG2 ILE 47 18.593 25.340 15.193 453 3HG2 ILE 47 1HG2 ILE 47 17.257 24.719 16.167 454 1HD1 ILE 47 2HD1 ILE 47 16.292 23.545 11.900 455 2HD1 ILE 47 3HD1 ILE 47 17.631 24.037 10.841 456 3HD1 ILE 47 1HD1 ILE 47 17.668 22.434 11.632 457 H ILE 48 H ILE 48 15.565 23.626 16.514 458 HA ILE 48 HA ILE 48 15.618 22.910 18.655 459 HB ILE 48 HB ILE 48 15.981 20.473 16.997 460 1HG1 ILE 48 1HG1 ILE 48 14.011 22.137 18.312 461 2HG1 ILE 48 2HG1 ILE 48 13.864 21.039 16.963 462 1HG2 ILE 48 3HG2 ILE 48 15.769 20.444 20.032 463 2HG2 ILE 48 1HG2 ILE 48 15.657 19.043 18.962 464 3HG2 ILE 48 2HG2 ILE 48 17.188 19.913 19.130 465 1HD1 ILE 48 3HD1 ILE 48 13.966 20.205 19.872 466 2HD1 ILE 48 1HD1 ILE 48 12.491 20.353 18.924 467 3HD1 ILE 48 2HD1 ILE 48 13.692 19.133 18.497 468 H VAL 49 H VAL 49 17.423 21.384 20.187 469 HA VAL 49 HA VAL 49 19.759 23.067 19.709 470 HB VAL 49 HB VAL 49 19.858 23.486 21.918 471 1HG1 VAL 49 3HG1 VAL 49 17.484 23.870 21.033 472 2HG1 VAL 49 1HG1 VAL 49 17.048 22.420 21.939 473 3HG1 VAL 49 2HG1 VAL 49 17.687 23.829 22.786 474 1HG2 VAL 49 3HG2 VAL 49 19.177 20.606 22.151 475 2HG2 VAL 49 1HG2 VAL 49 20.420 21.537 22.986 476 3HG2 VAL 49 2HG2 VAL 49 18.743 21.636 23.516 477 H GLU 50 H GLU 50 19.155 19.605 20.231 478 HA GLU 50 HA GLU 50 21.387 18.559 19.208 479 1HB GLU 50 1HB GLU 50 23.101 18.406 21.067 480 2HB GLU 50 2HB GLU 50 22.956 20.008 20.369 481 1HG GLU 50 1HG GLU 50 21.031 19.928 22.408 482 2HG GLU 50 2HG GLU 50 22.452 19.155 23.094 483 H GLU 51 H GLU 51 18.779 17.957 20.781 484 HA GLU 51 HA GLU 51 17.982 16.089 22.022 485 1HB GLU 51 1HB GLU 51 18.565 14.133 20.817 486 2HB GLU 51 2HB GLU 51 18.670 15.478 19.683 487 1HG GLU 51 1HG GLU 51 20.938 15.459 19.588 488 2HG GLU 51 2HG GLU 51 21.124 14.728 21.175 489 H GLY 52 H GLY 52 20.490 17.419 23.038 490 1HA GLY 52 1HA GLY 52 21.633 17.063 25.120 491 2HA GLY 52 2HA GLY 52 21.227 15.349 25.003 492 H LYS 53 H LYS 53 22.871 17.478 22.620 493 HA LYS 53 HA LYS 53 25.245 15.666 22.761 494 1HB LYS 53 1HB LYS 53 24.376 17.200 20.293 495 2HB LYS 53 2HB LYS 53 25.517 15.860 20.390 496 1HG LYS 53 1HG LYS 53 22.923 15.075 21.417 497 2HG LYS 53 2HG LYS 53 22.783 15.705 19.775 498 1HD LYS 53 1HD LYS 53 23.254 13.375 19.528 499 2HD LYS 53 2HD LYS 53 24.773 14.206 19.185 500 1HE LYS 53 1HE LYS 53 25.737 13.035 20.847 501 2HE LYS 53 2HE LYS 53 24.685 13.862 21.990 502 1HZ LYS 53 3HZ LYS 53 23.604 11.597 20.475 503 2HZ LYS 53 1HZ LYS 53 24.655 11.268 21.770 504 3HZ LYS 53 2HZ LYS 53 23.217 12.133 22.037 505 H GLU 54 H GLU 54 26.266 17.697 20.635 506 HA GLU 54 HA GLU 54 27.233 19.819 20.511 507 1HB GLU 54 1HB GLU 54 26.272 21.412 21.730 508 2HB GLU 54 2HB GLU 54 25.463 20.189 22.698 509 1HG GLU 54 1HG GLU 54 27.493 20.022 24.136 510 2HG GLU 54 2HG GLU 54 28.265 21.295 23.184 511 H ILE 55 H ILE 55 29.189 20.684 20.971 512 HA ILE 55 HA ILE 55 30.887 19.232 22.936 513 HB ILE 55 HB ILE 55 31.119 19.707 20.113 514 1HG1 ILE 55 1HG1 ILE 55 32.911 18.229 22.008 515 2HG1 ILE 55 2HG1 ILE 55 31.374 17.583 21.388 516 1HG2 ILE 55 2HG2 ILE 55 32.594 21.587 20.997 517 2HG2 ILE 55 3HG2 ILE 55 33.591 20.316 21.725 518 3HG2 ILE 55 1HG2 ILE 55 33.361 20.371 19.975 519 1HD1 ILE 55 2HD1 ILE 55 32.506 18.706 19.199 520 2HD1 ILE 55 3HD1 ILE 55 33.898 18.001 20.023 521 3HD1 ILE 55 1HD1 ILE 55 32.523 16.996 19.587 522 H LEU 56 H LEU 56 32.856 20.954 23.353 523 HA LEU 56 HA LEU 56 31.543 23.623 23.718 524 1HB LEU 56 1HB LEU 56 33.573 22.203 25.479 525 2HB LEU 56 2HB LEU 56 33.093 23.884 25.691 526 HG LEU 56 HG LEU 56 31.866 22.342 27.188 527 1HD1 LEU 56 3HD1 LEU 56 30.923 24.491 26.459 528 2HD1 LEU 56 1HD1 LEU 56 30.216 23.702 25.042 529 3HD1 LEU 56 2HD1 LEU 56 29.647 23.281 26.660 530 1HD2 LEU 56 3HD2 LEU 56 31.851 20.638 25.092 531 2HD2 LEU 56 1HD2 LEU 56 30.677 20.545 26.410 532 3HD2 LEU 56 2HD2 LEU 56 30.244 21.353 24.903 533 H VAL 57 H VAL 57 33.950 22.076 22.022 534 HA VAL 57 HA VAL 57 35.714 22.962 20.754 535 HB VAL 57 HB VAL 57 34.512 25.452 21.852 536 1HG1 VAL 57 1HG1 VAL 57 37.429 25.131 21.426 537 2HG1 VAL 57 2HG1 VAL 57 36.689 26.518 20.631 538 3HG1 VAL 57 3HG1 VAL 57 36.560 26.337 22.382 539 1HG2 VAL 57 3HG2 VAL 57 33.999 24.414 19.650 540 2HG2 VAL 57 1HG2 VAL 57 34.609 26.064 19.505 541 3HG2 VAL 57 2HG2 VAL 57 35.672 24.696 19.165 542 H GLY 58 H GLY 58 35.635 24.307 24.114 543 1HA GLY 58 1HA GLY 58 38.450 23.993 24.524 544 2HA GLY 58 2HA GLY 58 37.241 24.169 25.801 545 H ASP 59 H ASP 59 35.608 21.894 25.133 546 HA ASP 59 HA ASP 59 36.865 19.841 26.582 547 1HB ASP 59 1HB ASP 59 34.682 19.822 24.514 548 2HB ASP 59 2HB ASP 59 35.400 18.280 25.009 549 H VAL 60 H VAL 60 36.987 20.652 23.163 550 HA VAL 60 HA VAL 60 38.421 18.462 22.168 551 HB VAL 60 HB VAL 60 38.801 21.368 21.418 552 1HG1 VAL 60 2HG1 VAL 60 40.167 19.133 20.559 553 2HG1 VAL 60 3HG1 VAL 60 38.902 19.313 19.344 554 3HG1 VAL 60 1HG1 VAL 60 40.012 20.645 19.665 555 1HG2 VAL 60 1HG2 VAL 60 36.441 19.873 21.380 556 2HG2 VAL 60 2HG2 VAL 60 36.756 21.338 20.447 557 3HG2 VAL 60 3HG2 VAL 60 37.052 19.754 19.729 558 H GLY 61 H GLY 61 40.056 17.609 23.230 559 1HA GLY 61 1HA GLY 61 42.611 17.981 23.220 560 2HA GLY 61 2HA GLY 61 42.233 19.374 24.236 561 H VAL 62 H VAL 62 40.062 18.112 25.583 562 HA VAL 62 HA VAL 62 41.553 16.609 27.611 563 HB VAL 62 HB VAL 62 38.791 17.744 27.338 564 1HG1 VAL 62 1HG1 VAL 62 39.538 15.296 28.834 565 2HG1 VAL 62 2HG1 VAL 62 38.569 16.479 29.715 566 3HG1 VAL 62 3HG1 VAL 62 37.971 15.796 28.200 567 1HG2 VAL 62 2HG2 VAL 62 41.148 17.958 29.166 568 2HG2 VAL 62 3HG2 VAL 62 40.152 19.234 28.468 569 3HG2 VAL 62 1HG2 VAL 62 39.549 18.291 29.832 570 H THR 63 H THR 63 38.317 15.843 26.402 571 HA THR 63 HA THR 63 39.067 13.006 26.184 572 HB THR 63 HB THR 63 36.388 14.289 25.615 573 HG1 THR 63 HG1 THR 63 36.587 13.079 28.012 574 1HG2 THR 63 1HG2 THR 63 37.377 11.708 25.318 575 2HG2 THR 63 2HG2 THR 63 36.464 11.650 26.824 576 3HG2 THR 63 3HG2 THR 63 35.678 12.178 25.337 577 H ILE 64 H ILE 64 38.633 15.860 24.307 578 HA ILE 64 HA ILE 64 38.577 14.216 21.811 579 HB ILE 64 HB ILE 64 38.104 16.930 21.177 580 1HG1 ILE 64 1HG1 ILE 64 36.762 15.995 23.723 581 2HG1 ILE 64 2HG1 ILE 64 37.505 17.551 23.388 582 1HG2 ILE 64 1HG2 ILE 64 37.126 14.673 20.319 583 2HG2 ILE 64 2HG2 ILE 64 35.986 14.844 21.659 584 3HG2 ILE 64 3HG2 ILE 64 36.044 16.068 20.386 585 1HD1 ILE 64 3HD1 ILE 64 35.673 17.631 21.476 586 2HD1 ILE 64 1HD1 ILE 64 34.846 16.498 22.543 587 3HD1 ILE 64 2HD1 ILE 64 35.266 18.108 23.126 588 H THR 65 H THR 65 39.780 15.864 19.959 589 HA THR 65 HA THR 65 42.261 16.904 21.199 590 HB THR 65 HB THR 65 43.326 15.355 19.183 591 HG1 THR 65 HG1 THR 65 41.804 13.934 18.837 592 1HG2 THR 65 3HG2 THR 65 43.002 14.892 22.153 593 2HG2 THR 65 1HG2 THR 65 44.023 13.868 21.139 594 3HG2 THR 65 2HG2 THR 65 44.388 15.586 21.309 595 H ASP 66 H ASP 66 39.952 17.742 19.273 596 HA ASP 66 HA ASP 66 40.067 19.706 17.918 597 1HB ASP 66 1HB ASP 66 42.621 19.570 18.519 598 2HB ASP 66 2HB ASP 66 42.749 19.021 16.845 599 HA PRO 67 HA PRO 67 40.328 16.966 14.018 600 1HB PRO 67 1HB PRO 67 39.317 14.439 14.438 601 2HB PRO 67 2HB PRO 67 41.043 14.821 14.495 602 1HG PRO 67 1HG PRO 67 39.158 14.338 16.770 603 2HG PRO 67 2HG PRO 67 40.891 13.985 16.650 604 1HD PRO 67 1HD PRO 67 39.805 16.188 18.002 605 2HD PRO 67 2HD PRO 67 41.483 16.051 17.432 606 H PHE 68 H PHE 68 37.759 14.919 15.049 607 HA PHE 68 HA PHE 68 35.614 16.792 15.352 608 1HB PHE 68 1HB PHE 68 34.757 17.028 13.189 609 2HB PHE 68 2HB PHE 68 36.496 17.035 12.850 610 HD1 PHE 68 HD1 PHE 68 37.656 14.825 12.471 611 HD2 PHE 68 HD2 PHE 68 33.395 15.268 12.319 612 HE1 PHE 68 HE1 PHE 68 37.469 12.655 11.333 613 HE2 PHE 68 HE2 PHE 68 33.225 13.066 11.186 614 HZ PHE 68 HZ PHE 68 35.256 11.761 10.704 615 H LYS 69 H LYS 69 36.774 13.650 14.308 616 HA LYS 69 HA LYS 69 34.314 12.217 14.165 617 1HB LYS 69 1HB LYS 69 35.708 10.212 14.414 618 2HB LYS 69 2HB LYS 69 36.445 11.356 13.295 619 1HG LYS 69 1HG LYS 69 38.300 10.963 14.581 620 2HG LYS 69 2HG LYS 69 37.574 12.220 15.582 621 1HD LYS 69 1HD LYS 69 38.273 10.153 16.854 622 2HD LYS 69 2HD LYS 69 36.573 10.583 17.042 623 1HE LYS 69 1HE LYS 69 35.856 8.708 15.987 624 2HE LYS 69 2HE LYS 69 37.108 8.815 14.750 625 1HZ LYS 69 1HZ LYS 69 37.708 7.993 17.529 626 2HZ LYS 69 2HZ LYS 69 37.243 6.872 16.339 627 3HZ LYS 69 3HZ LYS 69 38.662 7.780 16.140 628 H HIS 70 H HIS 70 35.378 13.782 16.888 629 HA HIS 70 HA HIS 70 34.472 11.655 18.742 630 1HB HIS 70 1HB HIS 70 35.897 12.786 20.093 631 2HB HIS 70 2HB HIS 70 35.896 14.201 19.024 632 HD1 HIS 70 HD1 HIS 70 33.709 12.539 21.651 633 HD2 HIS 70 HD2 HIS 70 34.131 16.193 19.727 634 HE1 HIS 70 HE1 HIS 70 32.082 14.133 22.736 635 H PHE 71 H PHE 71 33.725 14.938 17.656 636 HA PHE 71 HA PHE 71 31.258 15.289 18.945 637 1HB PHE 71 1HB PHE 71 32.046 17.286 17.976 638 2HB PHE 71 2HB PHE 71 32.678 16.454 16.573 639 HD1 PHE 71 HD1 PHE 71 31.147 15.797 14.723 640 HD2 PHE 71 HD2 PHE 71 29.845 18.209 18.032 641 HE1 PHE 71 HE1 PHE 71 29.176 16.535 13.413 642 HE2 PHE 71 HE2 PHE 71 27.875 18.938 16.723 643 HZ PHE 71 HZ PHE 71 27.542 18.102 14.409 644 H VAL 72 H VAL 72 32.195 13.581 16.005 645 HA VAL 72 HA VAL 72 29.575 13.103 14.957 646 HB VAL 72 HB VAL 72 30.631 11.405 13.670 647 1HG1 VAL 72 3HG1 VAL 72 31.407 13.681 13.153 648 2HG1 VAL 72 1HG1 VAL 72 32.758 13.437 14.257 649 3HG1 VAL 72 2HG1 VAL 72 32.622 12.455 12.804 650 1HG2 VAL 72 2HG2 VAL 72 32.453 11.249 15.972 651 2HG2 VAL 72 3HG2 VAL 72 31.692 9.945 15.078 652 3HG2 VAL 72 1HG2 VAL 72 33.084 10.792 14.399 653 H GLY 73 H GLY 73 31.584 11.609 17.370 654 1HA GLY 73 1HA GLY 73 30.096 9.274 17.940 655 2HA GLY 73 2HA GLY 73 31.031 10.171 19.149 656 H MET 74 H MET 74 29.695 12.674 18.901 657 HA MET 74 HA MET 74 27.405 12.278 20.600 658 1HB MET 74 1HB MET 74 28.183 14.674 18.920 659 2HB MET 74 2HB MET 74 27.008 14.679 20.239 660 1HG MET 74 1HG MET 74 28.865 13.784 21.736 661 2HG MET 74 2HG MET 74 29.984 14.148 20.423 662 1HE MET 74 3HE MET 74 29.390 16.239 19.030 663 2HE MET 74 1HE MET 74 29.525 17.834 19.782 664 3HE MET 74 2HE MET 74 30.875 16.684 19.885 665 H LEU 75 H LEU 75 27.963 12.733 17.227 666 HA LEU 75 HA LEU 75 25.183 12.754 16.396 667 1HB LEU 75 1HB LEU 75 27.661 12.005 14.810 668 2HB LEU 75 2HB LEU 75 26.161 12.639 14.176 669 HG LEU 75 HG LEU 75 28.058 14.112 15.994 670 1HD1 LEU 75 2HD1 LEU 75 27.892 13.748 13.132 671 2HD1 LEU 75 3HD1 LEU 75 27.628 15.443 13.542 672 3HD1 LEU 75 1HD1 LEU 75 29.101 14.626 14.067 673 1HD2 LEU 75 2HD2 LEU 75 25.678 14.705 16.356 674 2HD2 LEU 75 3HD2 LEU 75 26.572 16.029 15.608 675 3HD2 LEU 75 1HD2 LEU 75 25.506 15.020 14.629 676 HA PRO 76 HA PRO 76 25.264 8.234 16.893 677 1HB PRO 76 1HB PRO 76 22.541 7.921 17.088 678 2HB PRO 76 2HB PRO 76 23.563 8.380 18.459 679 1HG PRO 76 1HG PRO 76 21.667 10.051 16.903 680 2HG PRO 76 2HG PRO 76 22.276 10.285 18.549 681 1HD PRO 76 1HD PRO 76 23.149 11.618 16.186 682 2HD PRO 76 2HD PRO 76 23.867 11.736 17.800 683 H GLU 77 H GLU 77 22.989 6.864 15.651 684 HA GLU 77 HA GLU 77 23.339 7.778 12.831 685 1HB GLU 77 1HB GLU 77 22.825 4.922 13.463 686 2HB GLU 77 2HB GLU 77 23.790 5.626 12.160 687 1HG GLU 77 1HG GLU 77 25.575 6.190 13.710 688 2HG GLU 77 2HG GLU 77 24.608 5.633 15.078 689 H LYS 78 H LYS 78 21.245 7.272 15.329 690 HA LYS 78 HA LYS 78 18.887 6.689 13.610 691 1HB LYS 78 1HB LYS 78 17.943 5.652 15.433 692 2HB LYS 78 2HB LYS 78 19.645 5.397 15.818 693 1HG LYS 78 1HG LYS 78 17.908 7.658 16.849 694 2HG LYS 78 2HG LYS 78 18.451 6.274 17.777 695 1HD LYS 78 1HD LYS 78 20.857 7.101 17.067 696 2HD LYS 78 2HD LYS 78 20.046 8.650 16.814 697 1HE LYS 78 1HE LYS 78 19.509 7.154 19.355 698 2HE LYS 78 2HE LYS 78 21.050 7.993 19.190 699 1HZ LYS 78 1HZ LYS 78 18.448 9.300 18.642 700 2HZ LYS 78 2HZ LYS 78 19.178 9.315 20.176 701 3HZ LYS 78 3HZ LYS 78 19.964 10.037 18.859 702 H ASP 79 H ASP 79 20.406 9.382 14.632 703 HA ASP 79 HA ASP 79 18.147 10.656 15.947 704 1HB ASP 79 1HB ASP 79 19.622 12.682 15.916 705 2HB ASP 79 2HB ASP 79 20.287 11.282 16.736 706 H CYS 80 H CYS 80 19.437 13.040 14.105 707 HA CYS 80 HA CYS 80 18.539 13.440 11.646 708 1HB CYS 80 1HB CYS 80 16.128 14.174 11.952 709 2HB CYS 80 2HB CYS 80 16.364 12.438 12.039 710 HG CYS 80 HG CYS 80 16.504 13.030 14.794 711 H ARG 81 H ARG 81 20.241 14.655 13.178 712 HA ARG 81 HA ARG 81 19.022 17.238 14.080 713 1HB ARG 81 1HB ARG 81 21.535 16.215 15.314 714 2HB ARG 81 2HB ARG 81 20.196 17.054 16.082 715 1HG ARG 81 1HG ARG 81 18.924 14.803 15.344 716 2HG ARG 81 2HG ARG 81 20.555 14.167 15.528 717 1HD ARG 81 1HD ARG 81 20.654 14.938 17.816 718 2HD ARG 81 2HD ARG 81 19.122 15.786 17.649 719 HE ARG 81 HE ARG 81 19.436 12.828 17.753 720 1HH1 ARG 81 1HH1 ARG 81 17.206 14.547 16.191 721 2HH1 ARG 81 2HH1 ARG 81 15.872 14.237 17.250 722 1HH2 ARG 81 1HH2 ARG 81 17.838 12.827 19.733 723 2HH2 ARG 81 2HH2 ARG 81 16.231 13.262 19.260 724 H TYR 82 H TYR 82 20.014 19.138 13.341 725 HA TYR 82 HA TYR 82 22.249 18.915 11.445 726 1HB TYR 82 1HB TYR 82 20.528 21.069 12.596 727 2HB TYR 82 2HB TYR 82 22.086 21.544 11.934 728 HD1 TYR 82 HD2 TYR 82 20.970 18.643 10.242 729 HD2 TYR 82 HD1 TYR 82 20.350 22.858 10.508 730 HE1 TYR 82 HE2 TYR 82 20.015 18.639 7.951 731 HE2 TYR 82 HE1 TYR 82 19.380 22.877 8.227 732 HH TYR 82 HH TYR 82 18.898 21.665 6.430 733 H ALA 83 H ALA 83 23.858 21.184 12.347 734 HA ALA 83 HA ALA 83 24.479 21.128 15.085 735 1HB ALA 83 1HB ALA 83 26.054 19.074 13.547 736 2HB ALA 83 2HB ALA 83 26.488 19.658 15.158 737 3HB ALA 83 3HB ALA 83 24.983 18.770 14.914 738 H LEU 84 H LEU 84 25.822 22.769 15.535 739 HA LEU 84 HA LEU 84 27.749 23.528 13.391 740 1HB LEU 84 1HB LEU 84 26.064 25.192 15.133 741 2HB LEU 84 2HB LEU 84 27.754 25.712 14.999 742 HG LEU 84 HG LEU 84 27.610 25.558 12.561 743 1HD1 LEU 84 1HD1 LEU 84 24.859 24.597 13.207 744 2HD1 LEU 84 2HD1 LEU 84 25.389 25.092 11.602 745 3HD1 LEU 84 3HD1 LEU 84 26.182 23.728 12.409 746 1HD2 LEU 84 3HD2 LEU 84 26.510 27.513 14.145 747 2HD2 LEU 84 1HD2 LEU 84 26.665 27.632 12.393 748 3HD2 LEU 84 2HD2 LEU 84 25.154 27.094 13.110 749 H TYR 85 H TYR 85 29.576 22.624 13.916 750 HA TYR 85 HA TYR 85 30.396 22.724 16.786 751 1HB TYR 85 1HB TYR 85 30.558 20.487 16.248 752 2HB TYR 85 2HB TYR 85 31.056 20.820 14.584 753 HD1 TYR 85 HD2 TYR 85 32.171 21.110 18.159 754 HD2 TYR 85 HD1 TYR 85 33.324 21.007 13.996 755 HE1 TYR 85 HE2 TYR 85 34.568 20.944 18.814 756 HE2 TYR 85 HE1 TYR 85 35.704 20.811 14.670 757 HH TYR 85 HH TYR 85 37.111 20.461 16.390 758 H ASP 86 H ASP 86 31.583 24.533 17.120 759 HA ASP 86 HA ASP 86 33.106 25.982 15.268 760 1HB ASP 86 1HB ASP 86 32.956 25.814 18.136 761 2HB ASP 86 2HB ASP 86 34.648 25.897 17.646 762 H ALA 87 H ALA 87 34.637 25.163 13.901 763 HA ALA 87 HA ALA 87 36.093 22.717 14.695 764 1HB ALA 87 3HB ALA 87 35.267 23.856 12.202 765 2HB ALA 87 1HB ALA 87 37.029 23.720 12.191 766 3HB ALA 87 2HB ALA 87 36.030 22.292 12.487 767 H SER 88 H SER 88 38.312 22.619 14.970 768 HA SER 88 HA SER 88 39.670 25.271 15.177 769 1HB SER 88 1HB SER 88 41.266 23.733 16.632 770 2HB SER 88 2HB SER 88 39.814 24.453 17.324 771 HG SER 88 HG SER 88 39.428 22.412 17.776 772 H PHE 89 H PHE 89 40.481 25.365 13.099 773 HA PHE 89 HA PHE 89 42.675 23.482 12.459 774 1HB PHE 89 1HB PHE 89 41.764 22.908 10.302 775 2HB PHE 89 2HB PHE 89 40.503 22.583 11.500 776 HD1 PHE 89 HD1 PHE 89 38.814 24.454 12.008 777 HD2 PHE 89 HD2 PHE 89 41.377 24.473 8.567 778 HE1 PHE 89 HE1 PHE 89 37.324 26.100 10.906 779 HE2 PHE 89 HE2 PHE 89 39.892 26.117 7.465 780 HZ PHE 89 HZ PHE 89 37.866 26.937 8.636 781 H GLU 90 H GLU 90 44.167 24.418 10.951 782 HA GLU 90 HA GLU 90 43.874 27.333 10.658 783 1HB GLU 90 1HB GLU 90 46.164 26.233 9.242 784 2HB GLU 90 2HB GLU 90 46.145 27.385 10.579 785 1HG GLU 90 1HG GLU 90 45.769 25.426 12.128 786 2HG GLU 90 2HG GLU 90 46.003 24.360 10.744 787 H THR 91 H THR 91 45.407 27.197 8.058 788 HA THR 91 HA THR 91 44.077 25.812 6.071 789 HB THR 91 HB THR 91 41.937 26.645 6.416 790 HG1 THR 91 HG1 THR 91 41.570 28.139 4.874 791 1HG2 THR 91 1HG2 THR 91 43.399 28.943 7.630 792 2HG2 THR 91 2HG2 THR 91 41.768 29.217 7.032 793 3HG2 THR 91 3HG2 THR 91 42.057 27.983 8.269 794 H LYS 92 H LYS 92 44.249 27.465 3.833 795 HA LYS 92 HA LYS 92 46.908 28.480 3.850 796 1HB LYS 92 1HB LYS 92 44.521 29.314 2.151 797 2HB LYS 92 2HB LYS 92 46.186 29.801 1.828 798 1HG LYS 92 1HG LYS 92 46.696 27.248 1.875 799 2HG LYS 92 2HG LYS 92 44.959 27.057 1.646 800 1HD LYS 92 1HD LYS 92 44.995 28.165 -0.444 801 2HD LYS 92 2HD LYS 92 46.585 28.867 -0.141 802 1HE LYS 92 1HE LYS 92 47.278 27.127 -1.463 803 2HE LYS 92 2HE LYS 92 47.208 26.245 0.063 804 1HZ LYS 92 2HZ LYS 92 44.846 26.471 -1.696 805 2HZ LYS 92 3HZ LYS 92 46.006 25.252 -1.929 806 3HZ LYS 92 1HZ LYS 92 45.144 25.341 -0.468 807 H GLU 93 H GLU 93 43.808 29.631 4.806 808 HA GLU 93 HA GLU 93 44.186 32.338 5.258 809 1HB GLU 93 1HB GLU 93 42.179 30.650 5.672 810 2HB GLU 93 2HB GLU 93 42.845 30.679 7.307 811 1HG GLU 93 1HG GLU 93 42.636 32.993 7.476 812 2HG GLU 93 2HG GLU 93 42.279 33.162 5.759 813 H SER 94 H SER 94 44.758 29.618 7.320 814 HA SER 94 HA SER 94 47.031 29.637 8.559 815 1HB SER 94 1HB SER 94 45.664 32.182 9.329 816 2HB SER 94 2HB SER 94 46.810 31.398 10.413 817 HG SER 94 HG SER 94 48.403 31.978 9.145 818 H ARG 95 H ARG 95 46.749 29.826 11.248 819 HA ARG 95 HA ARG 95 44.959 27.765 11.976 820 1HB ARG 95 1HB ARG 95 46.567 27.960 13.584 821 2HB ARG 95 2HB ARG 95 46.644 29.716 13.455 822 1HG ARG 95 1HG ARG 95 44.110 28.508 14.468 823 2HG ARG 95 2HG ARG 95 45.501 28.515 15.553 824 1HD ARG 95 1HD ARG 95 45.285 31.072 14.242 825 2HD ARG 95 2HD ARG 95 43.748 30.662 15.003 826 HE ARG 95 HE ARG 95 46.308 31.107 16.406 827 1HH1 ARG 95 1HH1 ARG 95 43.027 31.493 16.582 828 2HH1 ARG 95 2HH1 ARG 95 42.848 30.965 18.223 829 1HH2 ARG 95 1HH2 ARG 95 46.106 29.780 18.463 830 2HH2 ARG 95 2HH2 ARG 95 44.599 29.991 19.293 831 H LYS 96 H LYS 96 42.884 27.922 12.023 832 HA LYS 96 HA LYS 96 41.508 30.338 13.034 833 1HB LYS 96 1HB LYS 96 40.825 29.131 10.335 834 2HB LYS 96 2HB LYS 96 40.073 30.537 11.084 835 1HG LYS 96 1HG LYS 96 43.030 30.495 10.521 836 2HG LYS 96 2HG LYS 96 41.878 30.930 9.268 837 1HD LYS 96 1HD LYS 96 40.959 32.426 11.355 838 2HD LYS 96 2HD LYS 96 42.697 32.437 11.663 839 1HE LYS 96 1HE LYS 96 43.159 33.284 9.458 840 2HE LYS 96 2HE LYS 96 41.482 33.063 8.966 841 1HZ LYS 96 3HZ LYS 96 42.394 34.884 11.125 842 2HZ LYS 96 1HZ LYS 96 41.982 35.372 9.551 843 3HZ LYS 96 2HZ LYS 96 40.798 34.706 10.566 844 H GLU 97 H GLU 97 40.217 29.365 14.609 845 HA GLU 97 HA GLU 97 39.177 26.705 14.098 846 1HB GLU 97 1HB GLU 97 39.545 26.813 16.346 847 2HB GLU 97 2HB GLU 97 39.311 28.560 16.411 848 1HG GLU 97 1HG GLU 97 36.883 28.204 16.099 849 2HG GLU 97 2HG GLU 97 37.156 26.464 16.150 850 H GLU 98 H GLU 98 37.622 26.719 12.637 851 HA GLU 98 HA GLU 98 35.466 28.766 12.849 852 1HB GLU 98 1HB GLU 98 36.156 29.465 10.834 853 2HB GLU 98 2HB GLU 98 37.194 28.056 10.616 854 1HG GLU 98 1HG GLU 98 35.413 26.750 9.739 855 2HG GLU 98 2HG GLU 98 34.195 27.898 10.293 856 H LEU 99 H LEU 99 33.710 27.793 13.515 857 HA LEU 99 HA LEU 99 32.982 25.081 13.561 858 1HB LEU 99 1HB LEU 99 30.709 25.804 13.802 859 2HB LEU 99 2HB LEU 99 31.713 27.031 14.584 860 HG LEU 99 HG LEU 99 31.381 27.596 11.744 861 1HD1 LEU 99 2HD1 LEU 99 29.070 26.591 13.160 862 2HD1 LEU 99 3HD1 LEU 99 28.823 28.285 12.721 863 3HD1 LEU 99 1HD1 LEU 99 29.208 27.085 11.459 864 1HD2 LEU 99 2HD2 LEU 99 31.660 28.908 14.234 865 2HD2 LEU 99 3HD2 LEU 99 31.652 29.647 12.638 866 3HD2 LEU 99 1HD2 LEU 99 30.144 29.477 13.532 867 H MET 100 H MET 100 31.039 24.237 12.320 868 HA MET 100 HA MET 100 30.857 25.005 9.513 869 1HB MET 100 1HB MET 100 31.960 22.368 10.407 870 2HB MET 100 2HB MET 100 31.508 22.773 8.746 871 1HG MET 100 1HG MET 100 33.116 24.677 8.812 872 2HG MET 100 2HG MET 100 33.632 24.153 10.411 873 1HE MET 100 2HE MET 100 32.987 21.139 9.944 874 2HE MET 100 3HE MET 100 32.395 21.395 8.302 875 3HE MET 100 1HE MET 100 33.777 20.330 8.591 876 H PHE 101 H PHE 101 28.812 24.819 9.043 877 HA PHE 101 HA PHE 101 26.816 23.883 10.677 878 1HB PHE 101 1HB PHE 101 26.785 25.106 8.347 879 2HB PHE 101 2HB PHE 101 26.589 23.463 7.753 880 HD1 PHE 101 HD1 PHE 101 25.226 23.280 10.860 881 HD2 PHE 101 HD2 PHE 101 24.440 25.070 7.058 882 HE1 PHE 101 HE1 PHE 101 22.797 23.264 11.362 883 HE2 PHE 101 HE2 PHE 101 22.013 25.120 7.590 884 HZ PHE 101 HZ PHE 101 21.198 24.206 9.722 885 H PHE 102 H PHE 102 25.830 21.744 10.990 886 HA PHE 102 HA PHE 102 27.001 19.591 9.317 887 1HB PHE 102 1HB PHE 102 27.241 19.879 12.245 888 2HB PHE 102 2HB PHE 102 26.745 18.288 11.680 889 HD1 PHE 102 HD2 PHE 102 28.088 17.171 9.824 890 HD2 PHE 102 HD1 PHE 102 29.450 20.607 12.026 891 HE1 PHE 102 HE2 PHE 102 30.433 16.733 9.093 892 HE2 PHE 102 HE1 PHE 102 31.770 20.176 11.317 893 HZ PHE 102 HZ PHE 102 32.272 18.233 9.838 894 H LEU 103 H LEU 103 25.259 18.812 8.286 895 HA LEU 103 HA LEU 103 22.688 18.713 9.677 896 1HB LEU 103 1HB LEU 103 23.349 17.736 6.895 897 2HB LEU 103 2HB LEU 103 21.751 18.015 7.569 898 HG LEU 103 HG LEU 103 21.957 19.987 6.467 899 1HD1 LEU 103 1HD1 LEU 103 22.717 20.303 9.210 900 2HD1 LEU 103 2HD1 LEU 103 23.698 21.400 8.262 901 3HD1 LEU 103 3HD1 LEU 103 21.945 21.478 8.161 902 1HD2 LEU 103 2HD2 LEU 103 24.875 19.450 6.625 903 2HD2 LEU 103 3HD2 LEU 103 23.887 19.877 5.233 904 3HD2 LEU 103 1HD2 LEU 103 24.371 21.116 6.387 905 H TRP 104 H TRP 104 24.076 17.313 11.154 906 HA TRP 104 HA TRP 104 24.866 14.737 10.431 907 1HB TRP 104 1HB TRP 104 25.274 15.601 12.711 908 2HB TRP 104 2HB TRP 104 23.543 15.506 13.064 909 HD1 TRP 104 HD1 TRP 104 23.435 13.463 14.717 910 HE1 TRP 104 HE1 TRP 104 24.049 10.969 14.456 911 HE3 TRP 104 HE3 TRP 104 25.994 13.601 10.277 912 HZ2 TRP 104 HZ2 TRP 104 25.537 9.276 12.547 913 HZ3 TRP 104 HZ3 TRP 104 26.903 11.627 9.286 914 HH2 TRP 104 HH2 TRP 104 26.689 9.438 10.410 915 H ALA 105 H ALA 105 23.456 13.737 8.981 916 HA ALA 105 HA ALA 105 20.796 12.934 10.087 917 1HB ALA 105 2HB ALA 105 20.508 14.769 8.412 918 2HB ALA 105 3HB ALA 105 21.338 13.776 7.215 919 3HB ALA 105 1HB ALA 105 19.785 13.253 7.873 920 HA PRO 106 HA PRO 106 23.189 9.266 8.969 921 1HB PRO 106 1HB PRO 106 21.746 7.589 10.609 922 2HB PRO 106 2HB PRO 106 23.126 8.566 11.143 923 1HG PRO 106 1HG PRO 106 20.200 9.036 11.581 924 2HG PRO 106 2HG PRO 106 21.576 9.476 12.608 925 1HD PRO 106 1HD PRO 106 20.215 11.263 10.945 926 2HD PRO 106 2HD PRO 106 21.862 11.513 11.563 927 H GLU 107 H GLU 107 22.757 7.537 7.612 928 HA GLU 107 HA GLU 107 20.499 7.701 5.877 929 1HB GLU 107 1HB GLU 107 22.144 5.203 6.353 930 2HB GLU 107 2HB GLU 107 21.324 5.690 4.869 931 1HG GLU 107 1HG GLU 107 22.843 7.682 4.750 932 2HG GLU 107 2HG GLU 107 23.723 7.042 6.138 933 H LEU 108 H LEU 108 20.861 6.419 9.015 934 HA LEU 108 HA LEU 108 18.582 4.542 8.732 935 1HB LEU 108 1HB LEU 108 19.890 5.212 11.342 936 2HB LEU 108 2HB LEU 108 19.179 3.690 10.807 937 HG LEU 108 HG LEU 108 21.393 4.485 9.102 938 1HD1 LEU 108 3HD1 LEU 108 22.142 5.567 11.186 939 2HD1 LEU 108 1HD1 LEU 108 21.957 4.036 12.043 940 3HD1 LEU 108 2HD1 LEU 108 23.163 4.187 10.762 941 1HD2 LEU 108 1HD2 LEU 108 20.183 2.248 9.446 942 2HD2 LEU 108 2HD2 LEU 108 21.946 2.201 9.334 943 3HD2 LEU 108 3HD2 LEU 108 21.160 2.085 10.912 944 H ALA 109 H ALA 109 19.543 7.637 10.045 945 HA ALA 109 HA ALA 109 17.549 8.319 11.831 946 1HB ALA 109 1HB ALA 109 19.190 9.819 9.937 947 2HB ALA 109 2HB ALA 109 17.594 10.565 10.130 948 3HB ALA 109 3HB ALA 109 18.633 10.302 11.547 949 HA PRO 110 HA PRO 110 13.695 8.254 9.839 950 1HB PRO 110 1HB PRO 110 12.581 10.637 10.668 951 2HB PRO 110 2HB PRO 110 12.766 9.220 11.717 952 1HG PRO 110 1HG PRO 110 14.382 11.740 11.656 953 2HG PRO 110 2HG PRO 110 14.033 10.666 13.021 954 1HD PRO 110 1HD PRO 110 16.453 10.717 11.605 955 2HD PRO 110 2HD PRO 110 15.899 9.374 12.623 956 H LEU 111 H LEU 111 12.501 9.131 8.021 957 HA LEU 111 HA LEU 111 14.109 10.509 6.072 958 1HB LEU 111 1HB LEU 111 11.185 9.780 6.246 959 2HB LEU 111 2HB LEU 111 11.798 10.759 4.912 960 HG LEU 111 HG LEU 111 11.733 8.115 4.727 961 1HD1 LEU 111 2HD1 LEU 111 13.842 10.062 3.827 962 2HD1 LEU 111 3HD1 LEU 111 13.987 8.359 3.399 963 3HD1 LEU 111 1HD1 LEU 111 12.579 9.283 2.877 964 1HD2 LEU 111 3HD2 LEU 111 13.044 7.812 6.830 965 2HD2 LEU 111 1HD2 LEU 111 13.849 7.100 5.434 966 3HD2 LEU 111 2HD2 LEU 111 14.401 8.647 6.073 967 H LYS 112 H LYS 112 12.528 11.646 8.799 968 HA LYS 112 HA LYS 112 11.660 14.212 7.707 969 1HB LYS 112 1HB LYS 112 12.130 13.595 10.620 970 2HB LYS 112 2HB LYS 112 10.939 14.687 9.907 971 1HG LYS 112 1HG LYS 112 10.957 11.671 9.621 972 2HG LYS 112 2HG LYS 112 9.868 12.593 10.660 973 1HD LYS 112 1HD LYS 112 8.515 12.424 8.800 974 2HD LYS 112 2HD LYS 112 9.398 13.887 8.365 975 1HE LYS 112 1HE LYS 112 10.661 12.818 6.755 976 2HE LYS 112 2HE LYS 112 10.628 11.274 7.608 977 1HZ LYS 112 3HZ LYS 112 8.088 12.308 6.605 978 2HZ LYS 112 1HZ LYS 112 9.191 11.718 5.455 979 3HZ LYS 112 2HZ LYS 112 8.645 10.706 6.701 980 H SER 113 H SER 113 14.633 12.892 8.348 981 HA SER 113 HA SER 113 15.763 15.597 8.939 982 1HB SER 113 1HB SER 113 17.100 14.631 10.485 983 2HB SER 113 2HB SER 113 16.237 13.115 10.237 984 HG SER 113 HG SER 113 18.712 13.925 9.363 985 H LYS 114 H LYS 114 15.028 13.850 6.428 986 HA LYS 114 HA LYS 114 17.551 14.493 4.972 987 1HB LYS 114 1HB LYS 114 17.328 12.507 3.636 988 2HB LYS 114 2HB LYS 114 17.179 12.006 5.318 989 1HG LYS 114 1HG LYS 114 15.315 10.938 4.552 990 2HG LYS 114 2HG LYS 114 14.574 12.522 4.756 991 1HD LYS 114 1HD LYS 114 14.109 11.559 2.510 992 2HD LYS 114 2HD LYS 114 15.025 13.063 2.403 993 1HE LYS 114 1HE LYS 114 16.846 12.026 1.533 994 2HE LYS 114 2HE LYS 114 16.708 10.663 2.644 995 1HZ LYS 114 3HZ LYS 114 14.537 10.439 1.000 996 2HZ LYS 114 1HZ LYS 114 15.788 10.903 -0.046 997 3HZ LYS 114 2HZ LYS 114 15.958 9.514 0.918 998 H MET 115 H MET 115 14.053 14.227 4.957 999 HA MET 115 HA MET 115 13.771 15.538 2.312 1000 1HB MET 115 1HB MET 115 11.609 15.084 4.370 1001 2HB MET 115 2HB MET 115 11.433 15.207 2.614 1002 1HG MET 115 1HG MET 115 13.166 12.999 3.581 1003 2HG MET 115 2HG MET 115 11.449 12.831 3.926 1004 1HE MET 115 2HE MET 115 9.614 13.057 2.319 1005 2HE MET 115 3HE MET 115 10.157 14.474 1.424 1006 3HE MET 115 1HE MET 115 9.714 13.009 0.552 1007 H ILE 116 H ILE 116 13.626 16.139 5.731 1008 HA ILE 116 HA ILE 116 12.245 18.634 5.499 1009 HB ILE 116 HB ILE 116 13.359 16.790 7.469 1010 1HG1 ILE 116 1HG1 ILE 116 10.844 18.459 7.229 1011 2HG1 ILE 116 2HG1 ILE 116 10.995 16.715 7.034 1012 1HG2 ILE 116 3HG2 ILE 116 13.327 19.736 7.835 1013 2HG2 ILE 116 1HG2 ILE 116 12.980 18.693 9.217 1014 3HG2 ILE 116 2HG2 ILE 116 14.506 18.526 8.353 1015 1HD1 ILE 116 2HD1 ILE 116 11.772 16.647 9.469 1016 2HD1 ILE 116 3HD1 ILE 116 11.231 18.322 9.587 1017 3HD1 ILE 116 1HD1 ILE 116 10.073 17.044 9.218 1018 H TYR 117 H TYR 117 15.333 17.561 6.682 1019 HA TYR 117 HA TYR 117 16.493 20.053 7.219 1020 1HB TYR 117 1HB TYR 117 17.481 17.324 6.612 1021 2HB TYR 117 2HB TYR 117 18.655 18.660 6.670 1022 HD1 TYR 117 HD1 TYR 117 16.897 20.208 8.842 1023 HD2 TYR 117 HD2 TYR 117 18.485 16.218 8.591 1024 HE1 TYR 117 HE1 TYR 117 16.885 20.050 11.299 1025 HE2 TYR 117 HE2 TYR 117 18.476 16.065 11.070 1026 HH TYR 117 HH TYR 117 17.803 18.853 13.067 1027 H ALA 118 H ALA 118 16.103 18.228 4.363 1028 HA ALA 118 HA ALA 118 17.773 19.338 2.466 1029 1HB ALA 118 1HB ALA 118 15.233 18.035 2.606 1030 2HB ALA 118 2HB ALA 118 15.115 19.356 1.439 1031 3HB ALA 118 3HB ALA 118 16.344 18.106 1.226 1032 H SER 119 H SER 119 14.689 20.644 3.674 1033 HA SER 119 HA SER 119 15.335 23.279 2.438 1034 1HB SER 119 1HB SER 119 13.016 21.842 2.382 1035 2HB SER 119 2HB SER 119 12.736 22.878 3.777 1036 HG SER 119 HG SER 119 12.722 23.491 1.149 1037 H SER 120 H SER 120 15.610 21.678 5.365 1038 HA SER 120 HA SER 120 14.835 23.850 7.155 1039 1HB SER 120 1HB SER 120 16.858 21.704 7.789 1040 2HB SER 120 2HB SER 120 15.853 22.602 8.918 1041 HG SER 120 HG SER 120 14.941 20.580 8.577 1042 H LYS 121 H LYS 121 17.651 22.916 5.383 1043 HA LYS 121 HA LYS 121 19.352 24.936 6.631 1044 1HB LYS 121 1HB LYS 121 19.710 22.718 4.843 1045 2HB LYS 121 2HB LYS 121 20.462 24.186 4.200 1046 1HG LYS 121 1HG LYS 121 21.930 24.376 5.941 1047 2HG LYS 121 2HG LYS 121 20.800 23.676 7.121 1048 1HD LYS 121 1HD LYS 121 22.828 22.231 6.468 1049 2HD LYS 121 2HD LYS 121 21.238 21.470 6.338 1050 1HE LYS 121 1HE LYS 121 21.899 22.863 3.887 1051 2HE LYS 121 2HE LYS 121 23.167 21.710 4.298 1052 1HZ LYS 121 3HZ LYS 121 20.377 20.852 4.539 1053 2HZ LYS 121 1HZ LYS 121 21.045 20.973 2.980 1054 3HZ LYS 121 2HZ LYS 121 21.756 19.949 4.130 1055 H ASP 122 H ASP 122 17.904 26.441 6.312 1056 HA ASP 122 HA ASP 122 18.248 28.363 4.267 1057 1HB ASP 122 1HB ASP 122 16.453 26.268 3.542 1058 2HB ASP 122 2HB ASP 122 15.447 27.644 3.989 1059 H ALA 123 H ALA 123 16.154 26.725 6.501 1060 HA ALA 123 HA ALA 123 14.936 29.148 7.631 1061 1HB ALA 123 2HB ALA 123 14.228 26.543 7.615 1062 2HB ALA 123 3HB ALA 123 15.107 26.579 9.147 1063 3HB ALA 123 1HB ALA 123 13.714 27.638 8.903 1064 H ILE 124 H ILE 124 17.191 26.659 8.754 1065 HA ILE 124 HA ILE 124 18.213 27.944 11.058 1066 HB ILE 124 HB ILE 124 18.581 25.587 10.444 1067 1HG1 ILE 124 1HG1 ILE 124 21.318 26.702 10.437 1068 2HG1 ILE 124 2HG1 ILE 124 20.264 27.275 11.728 1069 1HG2 ILE 124 3HG2 ILE 124 18.897 26.283 7.991 1070 2HG2 ILE 124 1HG2 ILE 124 20.569 26.633 8.441 1071 3HG2 ILE 124 2HG2 ILE 124 19.938 24.990 8.600 1072 1HD1 ILE 124 3HD1 ILE 124 19.991 24.428 11.321 1073 2HD1 ILE 124 1HD1 ILE 124 21.664 24.853 11.665 1074 3HD1 ILE 124 2HD1 ILE 124 20.384 25.297 12.823 1075 H LYS 125 H LYS 125 18.958 28.122 7.658 1076 HA LYS 125 HA LYS 125 21.408 29.506 7.711 1077 1HB LYS 125 1HB LYS 125 19.495 28.680 5.803 1078 2HB LYS 125 2HB LYS 125 19.737 30.411 5.550 1079 1HG LYS 125 1HG LYS 125 21.542 29.719 4.355 1080 2HG LYS 125 2HG LYS 125 22.282 29.609 5.950 1081 1HD LYS 125 1HD LYS 125 20.737 27.230 5.319 1082 2HD LYS 125 2HD LYS 125 22.019 27.517 4.140 1083 1HE LYS 125 1HE LYS 125 22.568 27.746 7.093 1084 2HE LYS 125 2HE LYS 125 22.610 26.178 6.282 1085 1HZ LYS 125 3HZ LYS 125 24.049 28.408 5.051 1086 2HZ LYS 125 1HZ LYS 125 24.732 27.672 6.418 1087 3HZ LYS 125 2HZ LYS 125 24.406 26.747 5.039 1088 H LYS 126 H LYS 126 18.078 30.689 7.920 1089 HA LYS 126 HA LYS 126 18.738 33.473 7.651 1090 1HB LYS 126 1HB LYS 126 16.377 31.912 8.318 1091 2HB LYS 126 2HB LYS 126 16.487 33.369 9.307 1092 1HG LYS 126 1HG LYS 126 16.875 34.700 7.227 1093 2HG LYS 126 2HG LYS 126 16.607 33.234 6.281 1094 1HD LYS 126 1HD LYS 126 14.572 34.190 8.290 1095 2HD LYS 126 2HD LYS 126 14.587 34.807 6.637 1096 1HE LYS 126 1HE LYS 126 14.801 31.869 6.865 1097 2HE LYS 126 2HE LYS 126 13.262 32.545 7.403 1098 1HZ LYS 126 1HZ LYS 126 13.287 33.835 5.254 1099 2HZ LYS 126 2HZ LYS 126 14.552 32.822 4.754 1100 3HZ LYS 126 3HZ LYS 126 13.028 32.161 5.116 1101 H LYS 127 H LYS 127 19.430 31.287 10.070 1102 HA LYS 127 HA LYS 127 19.920 33.463 12.038 1103 1HB LYS 127 1HB LYS 127 19.907 30.598 12.870 1104 2HB LYS 127 2HB LYS 127 19.396 32.027 13.768 1105 1HG LYS 127 1HG LYS 127 17.894 30.745 11.464 1106 2HG LYS 127 2HG LYS 127 17.433 30.676 13.164 1107 1HD LYS 127 1HD LYS 127 17.879 33.369 11.958 1108 2HD LYS 127 2HD LYS 127 16.400 32.505 11.529 1109 1HE LYS 127 1HE LYS 127 16.857 32.255 14.358 1110 2HE LYS 127 2HE LYS 127 16.911 33.959 13.906 1111 1HZ LYS 127 1HZ LYS 127 14.804 33.524 12.641 1112 2HZ LYS 127 2HZ LYS 127 14.728 32.016 13.418 1113 3HZ LYS 127 3HZ LYS 127 14.664 33.448 14.329 1114 H PHE 128 H PHE 128 21.193 30.975 10.014 1115 HA PHE 128 HA PHE 128 23.815 30.928 11.412 1116 1HB PHE 128 1HB PHE 128 22.637 29.418 9.101 1117 2HB PHE 128 2HB PHE 128 24.378 29.433 9.404 1118 HD1 PHE 128 HD2 PHE 128 22.498 30.083 12.325 1119 HD2 PHE 128 HD1 PHE 128 23.931 26.861 9.840 1120 HE1 PHE 128 HE2 PHE 128 22.212 28.527 14.189 1121 HE2 PHE 128 HE1 PHE 128 23.612 25.312 11.759 1122 HZ PHE 128 HZ PHE 128 22.756 26.129 13.921 1123 H GLN 129 H GLN 129 22.963 33.354 10.499 1124 HA GLN 129 HA GLN 129 23.518 34.552 8.175 1125 1HB GLN 129 1HB GLN 129 25.183 35.406 10.536 1126 2HB GLN 129 2HB GLN 129 24.437 36.421 9.304 1127 1HG GLN 129 1HG GLN 129 22.931 34.771 11.353 1128 2HG GLN 129 2HG GLN 129 23.193 36.511 11.444 1129 1HE2 GLN 129 2HE2 GLN 129 20.362 35.040 8.909 1130 2HE2 GLN 129 1HE2 GLN 129 21.375 33.989 9.775 1131 H GLY 130 H GLY 130 26.033 33.127 10.217 1132 1HA GLY 130 1HA GLY 130 27.797 32.924 7.816 1133 2HA GLY 130 2HA GLY 130 28.453 33.461 9.367 1134 H ILE 131 H ILE 131 26.991 30.699 7.689 1135 HA ILE 131 HA ILE 131 27.156 28.886 9.870 1136 HB ILE 131 HB ILE 131 26.316 28.848 7.136 1137 1HG1 ILE 131 1HG1 ILE 131 24.777 27.971 8.615 1138 2HG1 ILE 131 2HG1 ILE 131 25.489 26.527 7.891 1139 1HG2 ILE 131 2HG2 ILE 131 28.504 27.703 6.810 1140 2HG2 ILE 131 3HG2 ILE 131 27.928 26.470 7.959 1141 3HG2 ILE 131 1HG2 ILE 131 27.093 26.716 6.426 1142 1HD1 ILE 131 3HD1 ILE 131 27.246 26.738 9.790 1143 2HD1 ILE 131 1HD1 ILE 131 25.973 27.716 10.588 1144 3HD1 ILE 131 2HD1 ILE 131 25.650 26.032 10.137 1145 H LYS 132 H LYS 132 29.336 29.874 7.399 1146 HA LYS 132 HA LYS 132 31.702 29.585 7.336 1147 1HB LYS 132 1HB LYS 132 31.482 27.395 9.398 1148 2HB LYS 132 2HB LYS 132 32.879 28.392 8.997 1149 1HG LYS 132 1HG LYS 132 30.405 29.187 10.505 1150 2HG LYS 132 2HG LYS 132 32.072 29.197 11.059 1151 1HD LYS 132 1HD LYS 132 31.140 30.895 8.746 1152 2HD LYS 132 2HD LYS 132 31.128 31.475 10.412 1153 1HE LYS 132 1HE LYS 132 33.452 31.433 10.591 1154 2HE LYS 132 2HE LYS 132 33.630 30.231 9.315 1155 1HZ LYS 132 3HZ LYS 132 32.510 32.861 8.654 1156 2HZ LYS 132 1HZ LYS 132 34.187 32.715 8.870 1157 3HZ LYS 132 2HZ LYS 132 33.398 31.793 7.681 1158 H HIS 133 H HIS 133 29.713 26.683 8.074 1159 HA HIS 133 HA HIS 133 30.508 25.731 5.356 1160 1HB HIS 133 1HB HIS 133 31.616 24.585 7.844 1161 2HB HIS 133 2HB HIS 133 31.179 23.465 6.556 1162 HD1 HIS 133 HD1 HIS 133 31.895 25.220 4.109 1163 HD2 HIS 133 HD2 HIS 133 34.350 24.748 7.436 1164 HE1 HIS 133 HE1 HIS 133 34.241 25.786 3.343 1165 H GLU 134 H GLU 134 28.447 25.355 4.662 1166 HA GLU 134 HA GLU 134 26.544 23.862 6.260 1167 1HB GLU 134 1HB GLU 134 25.388 25.010 4.693 1168 2HB GLU 134 2HB GLU 134 26.648 24.850 3.474 1169 1HG GLU 134 1HG GLU 134 26.065 22.523 3.113 1170 2HG GLU 134 2HG GLU 134 24.915 22.572 4.450 1171 H CYS 135 H CYS 135 27.262 21.917 6.783 1172 HA CYS 135 HA CYS 135 28.313 20.120 4.618 1173 1HB CYS 135 1HB CYS 135 30.095 20.899 6.243 1174 2HB CYS 135 2HB CYS 135 29.217 20.039 7.514 1175 HG CYS 135 HG CYS 135 29.707 18.141 5.243 1176 H GLN 136 H GLN 136 26.596 18.708 4.296 1177 HA GLN 136 HA GLN 136 25.136 17.678 6.648 1178 1HB GLN 136 1HB GLN 136 23.784 18.118 4.671 1179 2HB GLN 136 2HB GLN 136 24.841 17.106 3.686 1180 1HG GLN 136 1HG GLN 136 24.081 15.130 4.661 1181 2HG GLN 136 2HG GLN 136 23.538 15.947 6.123 1182 1HE2 GLN 136 2HE2 GLN 136 20.430 16.982 4.677 1183 2HE2 GLN 136 1HE2 GLN 136 21.604 17.494 5.778 1184 H ALA 137 H ALA 137 25.068 15.427 7.146 1185 HA ALA 137 HA ALA 137 27.237 13.770 5.959 1186 1HB ALA 137 2HB ALA 137 26.866 14.389 8.883 1187 2HB ALA 137 3HB ALA 137 27.749 12.971 8.321 1188 3HB ALA 137 1HB ALA 137 28.319 14.587 7.907 1189 H ASN 138 H ASN 138 26.176 12.122 5.141 1190 HA ASN 138 HA ASN 138 23.852 11.032 6.637 1191 1HB ASN 138 1HB ASN 138 24.711 10.873 3.760 1192 2HB ASN 138 2HB ASN 138 23.511 9.761 4.425 1193 1HD2 ASN 138 2HD2 ASN 138 22.410 13.729 4.786 1194 2HD2 ASN 138 1HD2 ASN 138 23.958 13.240 5.264 1195 H GLY 139 H GLY 139 26.211 10.729 7.674 1196 1HA GLY 139 1HA GLY 139 26.591 8.136 8.441 1197 2HA GLY 139 2HA GLY 139 27.622 8.307 6.996 1198 HA PRO 140 HA PRO 140 29.082 10.869 10.710 1199 1HB PRO 140 1HB PRO 140 30.783 9.067 11.986 1200 2HB PRO 140 2HB PRO 140 29.120 9.417 12.493 1201 1HG PRO 140 1HG PRO 140 30.173 7.052 10.986 1202 2HG PRO 140 2HG PRO 140 28.815 7.146 12.121 1203 1HD PRO 140 1HD PRO 140 28.526 7.072 9.340 1204 2HD PRO 140 2HD PRO 140 27.302 7.727 10.448 1205 H GLU 141 H GLU 141 30.119 9.058 8.090 1206 HA GLU 141 HA GLU 141 32.980 9.721 8.135 1207 1HB GLU 141 1HB GLU 141 33.035 7.900 6.816 1208 2HB GLU 141 2HB GLU 141 31.265 7.840 6.802 1209 1HG GLU 141 1HG GLU 141 31.206 9.503 5.011 1210 2HG GLU 141 2HG GLU 141 32.967 9.601 5.028 1211 H ASP 142 H ASP 142 30.000 11.114 6.856 1212 HA ASP 142 HA ASP 142 31.351 12.636 4.771 1213 1HB ASP 142 1HB ASP 142 28.666 12.317 5.717 1214 2HB ASP 142 2HB ASP 142 29.059 14.037 5.761 1215 H LEU 143 H LEU 143 31.073 12.709 8.147 1216 HA LEU 143 HA LEU 143 31.807 15.506 8.570 1217 1HB LEU 143 1HB LEU 143 31.610 13.094 10.375 1218 2HB LEU 143 2HB LEU 143 31.971 14.728 10.940 1219 HG LEU 143 HG LEU 143 29.682 14.976 9.326 1220 1HD1 LEU 143 3HD1 LEU 143 29.558 12.463 9.573 1221 2HD1 LEU 143 1HD1 LEU 143 29.373 12.708 11.311 1222 3HD1 LEU 143 2HD1 LEU 143 28.150 13.325 10.200 1223 1HD2 LEU 143 1HD2 LEU 143 30.425 16.118 11.496 1224 2HD2 LEU 143 2HD2 LEU 143 28.701 15.766 11.356 1225 3HD2 LEU 143 3HD2 LEU 143 29.741 14.734 12.336 1226 H ASN 144 H ASN 144 33.251 12.579 7.795 1227 HA ASN 144 HA ASN 144 35.572 12.156 8.993 1228 1HB ASN 144 1HB ASN 144 34.885 11.065 6.905 1229 2HB ASN 144 2HB ASN 144 35.282 12.535 6.026 1230 1HD2 ASN 144 2HD2 ASN 144 38.474 10.885 7.892 1231 2HD2 ASN 144 1HD2 ASN 144 37.010 11.109 8.730 1232 H ARG 145 H ARG 145 37.297 13.324 9.489 1233 HA ARG 145 HA ARG 145 37.242 16.109 9.010 1234 1HB ARG 145 1HB ARG 145 39.806 15.843 9.746 1235 2HB ARG 145 2HB ARG 145 38.467 15.864 10.886 1236 1HG ARG 145 1HG ARG 145 38.851 13.739 11.504 1237 2HG ARG 145 2HG ARG 145 38.919 13.186 9.818 1238 1HD ARG 145 1HD ARG 145 41.156 13.040 9.954 1239 2HD ARG 145 2HD ARG 145 41.253 14.751 10.370 1240 HE ARG 145 HE ARG 145 40.628 12.803 12.529 1241 1HH1 ARG 145 1HH1 ARG 145 41.609 15.862 12.305 1242 2HH1 ARG 145 2HH1 ARG 145 43.142 15.685 13.092 1243 1HH2 ARG 145 1HH2 ARG 145 43.090 12.220 12.997 1244 2HH2 ARG 145 2HH2 ARG 145 43.980 13.624 13.485 1245 H ALA 146 H ALA 146 38.624 13.505 7.249 1246 HA ALA 146 HA ALA 146 40.488 15.042 5.656 1247 1HB ALA 146 1HB ALA 146 40.286 12.464 5.917 1248 2HB ALA 146 2HB ALA 146 38.968 12.600 4.737 1249 3HB ALA 146 3HB ALA 146 40.615 13.097 4.304 1250 H CYS 147 H CYS 147 37.146 14.097 5.568 1251 HA CYS 147 HA CYS 147 36.543 15.319 2.968 1252 1HB CYS 147 1HB CYS 147 35.372 13.474 4.530 1253 2HB CYS 147 2HB CYS 147 34.453 14.920 4.970 1254 HG CYS 147 HG CYS 147 34.355 13.492 2.234 1255 H ILE 148 H ILE 148 36.690 16.278 6.262 1256 HA ILE 148 HA ILE 148 35.171 18.694 5.775 1257 HB ILE 148 HB ILE 148 36.886 17.700 8.064 1258 1HG1 ILE 148 1HG1 ILE 148 35.068 16.416 8.440 1259 2HG1 ILE 148 2HG1 ILE 148 34.288 17.897 8.968 1260 1HG2 ILE 148 2HG2 ILE 148 35.249 20.135 7.571 1261 2HG2 ILE 148 3HG2 ILE 148 35.663 19.614 9.206 1262 3HG2 ILE 148 1HG2 ILE 148 36.937 20.007 8.042 1263 1HD1 ILE 148 2HD1 ILE 148 34.222 16.844 6.120 1264 2HD1 ILE 148 3HD1 ILE 148 32.952 16.550 7.313 1265 3HD1 ILE 148 1HD1 ILE 148 33.295 18.204 6.770 1266 H ALA 149 H ALA 149 38.129 17.206 5.508 1267 HA ALA 149 HA ALA 149 39.815 19.615 5.214 1268 1HB ALA 149 3HB ALA 149 40.622 17.529 6.379 1269 2HB ALA 149 1HB ALA 149 40.451 16.687 4.844 1270 3HB ALA 149 2HB ALA 149 41.614 17.997 5.001 1271 H GLU 150 H GLU 150 37.574 18.762 3.605 1272 HA GLU 150 HA GLU 150 38.736 18.849 0.887 1273 1HB GLU 150 1HB GLU 150 36.503 17.170 2.042 1274 2HB GLU 150 2HB GLU 150 36.594 17.530 0.312 1275 1HG GLU 150 1HG GLU 150 39.160 16.725 1.325 1276 2HG GLU 150 2HG GLU 150 37.947 15.502 1.693 1277 H LYS 151 H LYS 151 36.073 19.305 3.092 1278 HA LYS 151 HA LYS 151 34.609 21.201 1.461 1279 1HB LYS 151 1HB LYS 151 33.092 20.677 3.053 1280 2HB LYS 151 2HB LYS 151 34.331 19.856 4.006 1281 1HG LYS 151 1HG LYS 151 34.930 21.857 5.125 1282 2HG LYS 151 2HG LYS 151 34.016 22.854 3.991 1283 1HD LYS 151 1HD LYS 151 32.794 20.799 5.865 1284 2HD LYS 151 2HD LYS 151 32.794 22.541 6.147 1285 1HE LYS 151 1HE LYS 151 30.737 22.326 5.118 1286 2HE LYS 151 2HE LYS 151 31.747 22.580 3.698 1287 1HZ LYS 151 2HZ LYS 151 31.734 19.843 4.411 1288 2HZ LYS 151 3HZ LYS 151 30.137 20.400 4.249 1289 3HZ LYS 151 1HZ LYS 151 31.233 20.570 2.962 1290 H LEU 152 H LEU 152 37.245 21.143 3.682 1291 HA LEU 152 HA LEU 152 37.667 24.092 3.365 1292 1HB LEU 152 1HB LEU 152 38.826 22.311 5.534 1293 2HB LEU 152 2HB LEU 152 38.928 24.066 5.435 1294 HG LEU 152 HG LEU 152 36.163 23.232 5.374 1295 1HD1 LEU 152 3HD1 LEU 152 37.911 21.645 7.009 1296 2HD1 LEU 152 1HD1 LEU 152 36.913 22.653 8.070 1297 3HD1 LEU 152 2HD1 LEU 152 36.150 21.572 6.899 1298 1HD2 LEU 152 2HD2 LEU 152 37.915 24.820 7.268 1299 2HD2 LEU 152 3HD2 LEU 152 36.876 25.464 5.999 1300 3HD2 LEU 152 1HD2 LEU 152 36.166 24.713 7.430 1301 H GLY 153 H GLY 153 39.045 20.830 3.536 1302 1HA GLY 153 1HA GLY 153 41.673 21.717 2.566 1303 2HA GLY 153 2HA GLY 153 41.202 20.084 2.960 1304 H GLY 154 H GLY 154 38.825 21.373 1.182 1305 1HA GLY 154 1HA GLY 154 39.955 20.223 -1.343 1306 2HA GLY 154 2HA GLY 154 38.229 20.262 -0.977 1307 H SER 155 H SER 155 40.054 22.980 -0.002 1308 HA SER 155 HA SER 155 39.406 24.500 -2.455 1309 1HB SER 155 1HB SER 155 37.551 24.608 -0.611 1310 2HB SER 155 2HB SER 155 38.692 25.650 0.232 1311 HG SER 155 HG SER 155 37.339 26.877 -1.104 1312 H LEU 156 H LEU 156 40.466 25.381 0.883 1313 HA LEU 156 HA LEU 156 43.173 25.848 -0.029 1314 1HB LEU 156 1HB LEU 156 42.412 28.408 0.844 1315 2HB LEU 156 2HB LEU 156 42.960 27.938 -0.759 1316 HG LEU 156 HG LEU 156 40.140 27.303 -0.148 1317 1HD1 LEU 156 3HD1 LEU 156 40.857 29.697 0.802 1318 2HD1 LEU 156 1HD1 LEU 156 40.648 30.135 -0.895 1319 3HD1 LEU 156 2HD1 LEU 156 39.306 29.431 0.007 1320 1HD2 LEU 156 3HD2 LEU 156 41.869 27.778 -2.406 1321 2HD2 LEU 156 1HD2 LEU 156 40.240 27.096 -2.389 1322 3HD2 LEU 156 2HD2 LEU 156 40.466 28.844 -2.497 1323 H ILE 157 H ILE 157 43.053 24.362 2.144 1324 HA ILE 157 HA ILE 157 43.158 26.354 4.342 1325 HB ILE 157 HB ILE 157 42.884 24.399 5.875 1326 1HG1 ILE 157 1HG1 ILE 157 42.014 23.088 3.297 1327 2HG1 ILE 157 2HG1 ILE 157 43.466 22.636 4.222 1328 1HG2 ILE 157 1HG2 ILE 157 41.068 25.983 4.460 1329 2HG2 ILE 157 2HG2 ILE 157 40.418 24.348 4.367 1330 3HG2 ILE 157 3HG2 ILE 157 40.751 25.073 5.937 1331 1HD1 ILE 157 3HD1 ILE 157 41.653 22.685 6.180 1332 2HD1 ILE 157 1HD1 ILE 157 40.614 22.192 4.840 1333 3HD1 ILE 157 2HD1 ILE 157 42.028 21.225 5.256 1334 H VAL 158 H VAL 158 44.517 23.794 5.674 1335 HA VAL 158 HA VAL 158 47.189 23.738 4.616 1336 HB VAL 158 HB VAL 158 46.452 25.732 6.738 1337 1HG1 VAL 158 2HG1 VAL 158 49.108 24.274 6.603 1338 2HG1 VAL 158 3HG1 VAL 158 48.771 25.683 7.608 1339 3HG1 VAL 158 1HG1 VAL 158 47.930 24.163 7.911 1340 1HG2 VAL 158 3HG2 VAL 158 48.205 25.600 4.307 1341 2HG2 VAL 158 1HG2 VAL 158 47.021 26.827 4.766 1342 3HG2 VAL 158 2HG2 VAL 158 48.590 26.768 5.571 1343 H ALA 159 H ALA 159 45.000 23.527 7.289 1344 HA ALA 159 HA ALA 159 46.136 20.906 8.153 1345 1HB ALA 159 3HB ALA 159 44.864 23.073 9.864 1346 2HB ALA 159 1HB ALA 159 45.301 21.460 10.424 1347 3HB ALA 159 2HB ALA 159 46.558 22.587 9.917 1348 H PHE 160 H PHE 160 44.435 19.544 8.964 1349 HA PHE 160 HA PHE 160 42.171 18.731 8.965 1350 1HB PHE 160 1HB PHE 160 41.713 21.428 8.220 1351 2HB PHE 160 2HB PHE 160 41.116 20.474 6.865 1352 HD1 PHE 160 HD1 PHE 160 40.243 18.029 8.262 1353 HD2 PHE 160 HD2 PHE 160 39.808 22.153 9.327 1354 HE1 PHE 160 HE1 PHE 160 38.205 17.486 9.576 1355 HE2 PHE 160 HE2 PHE 160 37.774 21.613 10.643 1356 HZ PHE 160 HZ PHE 160 36.971 19.268 10.759 1357 H GLU 161 H GLU 161 43.483 20.289 6.099 1358 HA GLU 161 HA GLU 161 43.374 17.748 4.583 1359 1HB GLU 161 1HB GLU 161 42.689 20.295 3.799 1360 2HB GLU 161 2HB GLU 161 44.357 20.189 3.250 1361 1HG GLU 161 1HG GLU 161 42.731 17.778 2.722 1362 2HG GLU 161 2HG GLU 161 42.245 19.206 1.824 1363 H GLY 162 H GLY 162 45.407 19.809 6.445 1364 1HA GLY 162 1HA GLY 162 47.787 18.532 5.148 1365 2HA GLY 162 2HA GLY 162 47.816 20.177 5.741 1366 H CYS 163 H CYS 163 47.730 20.474 8.149 1367 HA CYS 163 HA CYS 163 49.569 18.853 9.456 1368 1HB CYS 163 1HB CYS 163 47.737 20.953 10.320 1369 2HB CYS 163 2HB CYS 163 48.222 19.835 11.597 1370 HG CYS 163 HG CYS 163 50.771 20.389 10.522 1371 HA PRO 164 HA PRO 164 46.487 16.295 11.911 1372 1HB PRO 164 1HB PRO 164 43.808 16.854 11.600 1373 2HB PRO 164 2HB PRO 164 44.823 17.545 12.881 1374 1HG PRO 164 1HG PRO 164 43.848 18.796 10.350 1375 2HG PRO 164 2HG PRO 164 44.184 19.556 11.913 1376 1HD PRO 164 1HD PRO 164 45.943 19.713 9.741 1377 2HD PRO 164 2HD PRO 164 46.422 19.871 11.436 1378 H VAL 165 H VAL 165 45.219 17.378 8.757 1379 HA VAL 165 HA VAL 165 45.447 14.585 7.823 1380 HB VAL 165 HB VAL 165 42.855 15.119 6.937 1381 1HG1 VAL 165 3HG1 VAL 165 44.226 13.114 8.225 1382 2HG1 VAL 165 1HG1 VAL 165 43.054 13.595 9.452 1383 3HG1 VAL 165 2HG1 VAL 165 42.501 13.080 7.858 1384 1HG2 VAL 165 3HG2 VAL 165 43.039 16.961 8.823 1385 2HG2 VAL 165 1HG2 VAL 165 41.591 15.960 8.721 1386 3HG2 VAL 165 2HG2 VAL 165 42.838 15.590 9.912 No H/Q in entry = 1386 Start of MODEL 3 1 1H THR -8 1H THR -8 -17.805 17.160 -1.677 2 2H THR -8 2H THR -8 -18.187 17.330 -3.325 3 3H THR -8 3H THR -8 -16.810 16.455 -2.859 4 HA THR -8 HA THR -8 -15.826 18.407 -3.440 5 HB THR -8 HB THR -8 -18.252 19.371 -3.766 6 HG1 THR -8 HG1 THR -8 -15.826 20.667 -3.296 7 1HG2 THR -8 1HG2 THR -8 -18.416 19.437 -1.146 8 2HG2 THR -8 2HG2 THR -8 -17.510 20.941 -1.317 9 3HG2 THR -8 3HG2 THR -8 -19.084 20.766 -2.094 10 H MET -7 H MET -7 -16.080 16.860 -0.821 11 HA MET -7 HA MET -7 -15.451 18.877 1.226 12 1HB MET -7 1HB MET -7 -15.844 15.925 1.139 13 2HB MET -7 2HB MET -7 -14.746 16.531 2.380 14 1HG MET -7 1HG MET -7 -16.417 17.567 3.544 15 2HG MET -7 2HG MET -7 -17.294 18.020 2.082 16 1HE MET -7 2HE MET -7 -16.519 15.525 4.766 17 2HE MET -7 3HE MET -7 -17.420 14.060 4.383 18 3HE MET -7 1HE MET -7 -15.983 14.491 3.443 19 H ILE -6 H ILE -6 -13.345 19.310 2.003 20 HA ILE -6 HA ILE -6 -11.109 17.729 0.877 21 HB ILE -6 HB ILE -6 -9.936 19.929 0.296 22 1HG1 ILE -6 1HG1 ILE -6 -12.812 20.894 0.389 23 2HG1 ILE -6 2HG1 ILE -6 -11.521 21.408 1.477 24 1HG2 ILE -6 1HG2 ILE -6 -12.365 19.014 -1.268 25 2HG2 ILE -6 2HG2 ILE -6 -11.099 20.061 -1.911 26 3HG2 ILE -6 3HG2 ILE -6 -10.716 18.409 -1.432 27 1HD1 ILE -6 3HD1 ILE -6 -11.180 21.658 -1.503 28 2HD1 ILE -6 1HD1 ILE -6 -12.064 22.890 -0.603 29 3HD1 ILE -6 2HD1 ILE -6 -10.376 22.559 -0.218 30 H THR -5 H THR -5 -9.045 18.242 1.941 31 HA THR -5 HA THR -5 -9.079 19.883 4.360 32 HB THR -5 HB THR -5 -10.058 18.045 5.451 33 HG1 THR -5 HG1 THR -5 -7.811 16.858 6.048 34 1HG2 THR -5 2HG2 THR -5 -9.007 16.605 3.211 35 2HG2 THR -5 3HG2 THR -5 -8.491 15.791 4.687 36 3HG2 THR -5 1HG2 THR -5 -10.206 16.071 4.389 37 HA PRO -4 HA PRO -4 -5.030 19.403 2.285 38 1HB PRO -4 1HB PRO -4 -4.522 22.112 2.277 39 2HB PRO -4 2HB PRO -4 -5.382 21.264 0.980 40 1HG PRO -4 1HG PRO -4 -6.478 23.038 3.116 41 2HG PRO -4 2HG PRO -4 -7.112 22.710 1.494 42 1HD PRO -4 1HD PRO -4 -8.089 21.587 3.889 43 2HD PRO -4 2HD PRO -4 -8.436 20.992 2.248 44 H SER -3 H SER -3 -2.955 19.607 3.275 45 HA SER -3 HA SER -3 -2.720 20.987 5.868 46 1HB SER -3 1HB SER -3 -2.833 19.164 7.193 47 2HB SER -3 2HB SER -3 -3.403 18.252 5.798 48 HG SER -3 HG SER -3 -1.598 17.197 6.178 49 H SER -2 H SER -2 -0.426 20.912 6.641 50 HA SER -2 HA SER -2 1.671 19.874 4.965 51 1HB SER -2 1HB SER -2 2.519 22.145 4.208 52 2HB SER -2 2HB SER -2 1.062 21.588 3.390 53 HG SER -2 HG SER -2 0.618 23.635 4.023 54 H GLY -1 H GLY -1 3.505 19.796 6.222 55 1HA GLY -1 1HA GLY -1 4.178 21.870 8.130 56 2HA GLY -1 2HA GLY -1 3.536 20.437 8.933 57 H ASN 0 H ASN 0 5.337 19.500 9.822 58 HA ASN 0 HA ASN 0 7.924 19.491 8.524 59 1HB ASN 0 1HB ASN 0 8.692 18.513 10.457 60 2HB ASN 0 2HB ASN 0 7.163 19.140 11.078 61 1HD2 ASN 0 2HD2 ASN 0 5.583 15.815 10.725 62 2HD2 ASN 0 1HD2 ASN 0 5.257 17.403 10.218 63 H SER 1 H SER 1 5.104 17.554 8.169 64 HA SER 1 HA SER 1 6.270 15.041 7.487 65 1HB SER 1 1HB SER 1 3.996 14.770 7.522 66 2HB SER 1 2HB SER 1 3.692 16.416 6.974 67 HG SER 1 HG SER 1 3.302 15.463 5.137 68 H ALA 2 H ALA 2 5.771 18.011 5.658 69 HA ALA 2 HA ALA 2 7.291 16.804 3.384 70 1HB ALA 2 3HB ALA 2 4.934 17.720 2.962 71 2HB ALA 2 1HB ALA 2 5.608 19.318 3.284 72 3HB ALA 2 2HB ALA 2 6.210 18.363 1.928 73 H SER 3 H SER 3 8.483 17.775 5.799 74 HA SER 3 HA SER 3 10.245 19.137 6.491 75 1HB SER 3 1HB SER 3 11.064 20.458 4.149 76 2HB SER 3 2HB SER 3 11.793 19.027 4.868 77 HG SER 3 HG SER 3 11.041 18.842 2.627 78 H GLY 4 H GLY 4 9.552 20.801 7.686 79 1HA GLY 4 1HA GLY 4 9.011 23.363 6.374 80 2HA GLY 4 2HA GLY 4 7.637 22.691 7.254 81 H VAL 5 H VAL 5 10.826 21.990 8.383 82 HA VAL 5 HA VAL 5 10.369 22.889 11.022 83 HB VAL 5 HB VAL 5 13.153 23.299 10.283 84 1HG1 VAL 5 1HG1 VAL 5 11.440 21.711 12.120 85 2HG1 VAL 5 2HG1 VAL 5 13.115 21.194 11.902 86 3HG1 VAL 5 3HG1 VAL 5 12.756 22.819 12.483 87 1HG2 VAL 5 2HG2 VAL 5 11.784 20.724 9.468 88 2HG2 VAL 5 3HG2 VAL 5 12.770 21.775 8.451 89 3HG2 VAL 5 1HG2 VAL 5 13.522 20.847 9.749 90 H GLN 6 H GLN 6 10.845 24.773 12.131 91 HA GLN 6 HA GLN 6 11.154 27.130 10.326 92 1HB GLN 6 1HB GLN 6 9.758 27.394 12.923 93 2HB GLN 6 2HB GLN 6 9.359 28.095 11.346 94 1HG GLN 6 1HG GLN 6 8.004 26.350 10.841 95 2HG GLN 6 2HG GLN 6 9.296 25.204 11.225 96 1HE2 GLN 6 2HE2 GLN 6 8.307 24.665 14.541 97 2HE2 GLN 6 1HE2 GLN 6 9.658 24.825 13.542 98 H VAL 7 H VAL 7 13.148 25.597 11.964 99 HA VAL 7 HA VAL 7 14.924 26.074 13.534 100 HB VAL 7 HB VAL 7 15.976 27.158 11.827 101 1HG1 VAL 7 1HG1 VAL 7 13.871 28.010 10.782 102 2HG1 VAL 7 2HG1 VAL 7 13.876 29.341 11.936 103 3HG1 VAL 7 3HG1 VAL 7 15.167 29.201 10.747 104 1HG2 VAL 7 1HG2 VAL 7 16.425 28.166 14.159 105 2HG2 VAL 7 2HG2 VAL 7 16.966 29.096 12.758 106 3HG2 VAL 7 3HG2 VAL 7 15.482 29.546 13.596 107 H ALA 8 H ALA 8 14.876 26.312 15.411 108 HA ALA 8 HA ALA 8 13.176 27.927 17.032 109 1HB ALA 8 2HB ALA 8 15.453 26.075 17.238 110 2HB ALA 8 3HB ALA 8 15.435 27.302 18.513 111 3HB ALA 8 1HB ALA 8 14.049 26.226 18.305 112 H ASP 9 H ASP 9 13.793 29.990 18.082 113 HA ASP 9 HA ASP 9 15.679 31.574 16.544 114 1HB ASP 9 1HB ASP 9 14.461 32.107 19.266 115 2HB ASP 9 2HB ASP 9 15.432 33.257 18.344 116 H GLU 10 H GLU 10 15.902 29.351 19.124 117 HA GLU 10 HA GLU 10 18.301 30.362 20.350 118 1HB GLU 10 1HB GLU 10 17.434 28.841 21.798 119 2HB GLU 10 2HB GLU 10 16.598 27.965 20.525 120 1HG GLU 10 1HG GLU 10 18.188 26.377 20.488 121 2HG GLU 10 2HG GLU 10 19.482 27.556 20.336 122 H VAL 11 H VAL 11 17.613 28.652 17.398 123 HA VAL 11 HA VAL 11 20.248 27.538 17.112 124 HB VAL 11 HB VAL 11 17.946 27.194 15.683 125 1HG1 VAL 11 1HG1 VAL 11 18.260 29.390 14.590 126 2HG1 VAL 11 2HG1 VAL 11 19.820 28.839 13.975 127 3HG1 VAL 11 3HG1 VAL 11 18.334 28.053 13.442 128 1HG2 VAL 11 3HG2 VAL 11 19.895 25.687 15.869 129 2HG2 VAL 11 1HG2 VAL 11 19.326 25.829 14.207 130 3HG2 VAL 11 2HG2 VAL 11 20.761 26.705 14.711 131 H CYS 12 H CYS 12 18.933 30.689 16.883 132 HA CYS 12 HA CYS 12 21.123 31.701 15.171 133 1HB CYS 12 1HB CYS 12 18.623 32.638 15.702 134 2HB CYS 12 2HB CYS 12 19.561 33.568 16.868 135 HG CYS 12 HG CYS 12 20.975 33.740 14.243 136 H ARG 13 H ARG 13 21.348 30.330 17.941 137 HA ARG 13 HA ARG 13 23.232 32.300 19.171 138 1HB ARG 13 1HB ARG 13 21.811 30.054 20.643 139 2HB ARG 13 2HB ARG 13 22.718 31.398 21.337 140 1HG ARG 13 1HG ARG 13 20.285 31.917 19.640 141 2HG ARG 13 2HG ARG 13 20.116 31.527 21.352 142 1HD ARG 13 1HD ARG 13 21.938 33.378 21.685 143 2HD ARG 13 2HD ARG 13 21.432 33.913 20.082 144 HE ARG 13 HE ARG 13 20.053 34.722 22.262 145 1HH1 ARG 13 1HH1 ARG 13 18.326 32.613 22.786 146 2HH1 ARG 13 2HH1 ARG 13 17.067 32.701 21.600 147 1HH2 ARG 13 1HH2 ARG 13 18.869 34.742 19.452 148 2HH2 ARG 13 2HH2 ARG 13 17.374 33.907 19.714 149 H ILE 14 H ILE 14 22.909 29.636 17.311 150 HA ILE 14 HA ILE 14 25.188 28.234 18.532 151 HB ILE 14 HB ILE 14 23.587 27.461 16.101 152 1HG1 ILE 14 1HG1 ILE 14 23.206 26.144 18.763 153 2HG1 ILE 14 2HG1 ILE 14 22.312 27.623 18.372 154 1HG2 ILE 14 2HG2 ILE 14 25.945 26.471 17.392 155 2HG2 ILE 14 3HG2 ILE 14 24.657 25.244 17.526 156 3HG2 ILE 14 1HG2 ILE 14 25.135 25.855 15.949 157 1HD1 ILE 14 1HD1 ILE 14 21.823 26.462 16.116 158 2HD1 ILE 14 2HD1 ILE 14 22.267 24.979 16.940 159 3HD1 ILE 14 3HD1 ILE 14 20.913 25.938 17.522 160 H PHE 15 H PHE 15 24.110 29.166 15.265 161 HA PHE 15 HA PHE 15 26.760 29.262 14.147 162 1HB PHE 15 1HB PHE 15 25.371 29.592 12.351 163 2HB PHE 15 2HB PHE 15 24.048 30.144 13.401 164 HD1 PHE 15 HD2 PHE 15 27.218 31.214 11.740 165 HD2 PHE 15 HD1 PHE 15 23.643 32.420 13.800 166 HE1 PHE 15 HE2 PHE 15 27.679 33.594 11.170 167 HE2 PHE 15 HE1 PHE 15 24.110 34.779 13.247 168 HZ PHE 15 HZ PHE 15 26.125 35.376 11.925 169 H TYR 16 H TYR 16 24.637 31.436 15.780 170 HA TYR 16 HA TYR 16 25.891 33.911 15.726 171 1HB TYR 16 1HB TYR 16 23.962 34.087 16.927 172 2HB TYR 16 2HB TYR 16 24.077 32.403 17.492 173 HD1 TYR 16 HD2 TYR 16 25.621 31.830 19.355 174 HD2 TYR 16 HD1 TYR 16 24.778 35.895 18.301 175 HE1 TYR 16 HE2 TYR 16 26.522 32.551 21.521 176 HE2 TYR 16 HE1 TYR 16 25.682 36.643 20.488 177 HH TYR 16 HH TYR 16 26.361 34.465 23.045 178 H ASP 17 H ASP 17 26.775 31.019 17.659 179 HA ASP 17 HA ASP 17 28.717 32.790 19.121 180 1HB ASP 17 1HB ASP 17 27.139 31.091 20.290 181 2HB ASP 17 2HB ASP 17 28.222 29.853 19.657 182 H MET 18 H MET 18 30.009 29.793 19.289 183 HA MET 18 HA MET 18 31.870 28.885 18.111 184 1HB MET 18 1HB MET 18 30.579 29.663 15.598 185 2HB MET 18 2HB MET 18 31.030 28.059 16.189 186 1HG MET 18 1HG MET 18 28.625 29.688 17.060 187 2HG MET 18 2HG MET 18 28.557 28.232 16.135 188 1HE MET 18 3HE MET 18 29.787 26.038 17.011 189 2HE MET 18 1HE MET 18 28.914 25.414 18.414 190 3HE MET 18 2HE MET 18 28.028 26.117 17.064 191 H LYS 19 H LYS 19 32.798 29.819 15.472 192 HA LYS 19 HA LYS 19 34.117 31.477 14.527 193 1HB LYS 19 1HB LYS 19 32.004 32.966 15.951 194 2HB LYS 19 2HB LYS 19 33.490 33.867 15.619 195 1HG LYS 19 1HG LYS 19 32.546 34.227 13.583 196 2HG LYS 19 2HG LYS 19 33.102 32.590 13.235 197 1HD LYS 19 1HD LYS 19 30.934 31.681 13.938 198 2HD LYS 19 2HD LYS 19 30.373 33.304 14.346 199 1HE LYS 19 1HE LYS 19 31.379 32.638 11.581 200 2HE LYS 19 2HE LYS 19 29.695 32.370 12.037 201 1HZ LYS 19 3HZ LYS 19 29.618 34.728 12.741 202 2HZ LYS 19 1HZ LYS 19 31.176 34.940 12.097 203 3HZ LYS 19 2HZ LYS 19 29.887 34.528 11.076 204 H VAL 20 H VAL 20 36.065 31.697 14.989 205 HA VAL 20 HA VAL 20 37.382 31.403 17.429 206 HB VAL 20 HB VAL 20 38.645 31.205 15.443 207 1HG1 VAL 20 1HG1 VAL 20 36.943 33.412 14.686 208 2HG1 VAL 20 2HG1 VAL 20 38.628 33.830 14.342 209 3HG1 VAL 20 3HG1 VAL 20 37.925 32.370 13.646 210 1HG2 VAL 20 1HG2 VAL 20 39.767 32.476 17.364 211 2HG2 VAL 20 2HG2 VAL 20 40.476 32.727 15.768 212 3HG2 VAL 20 3HG2 VAL 20 39.415 33.953 16.465 213 H ARG 21 H ARG 21 36.127 34.334 15.999 214 HA ARG 21 HA ARG 21 37.381 36.002 18.093 215 1HB ARG 21 1HB ARG 21 35.580 36.823 15.798 216 2HB ARG 21 2HB ARG 21 36.514 37.905 16.829 217 1HG ARG 21 1HG ARG 21 37.974 35.708 15.426 218 2HG ARG 21 2HG ARG 21 37.453 37.098 14.474 219 1HD ARG 21 1HD ARG 21 39.212 37.137 16.941 220 2HD ARG 21 2HD ARG 21 39.674 37.572 15.296 221 HE ARG 21 HE ARG 21 37.834 39.418 15.610 222 1HH1 ARG 21 1HH2 ARG 21 40.423 38.461 17.618 223 2HH1 ARG 21 2HH2 ARG 21 40.179 39.718 18.785 224 1HH2 ARG 21 1HH1 ARG 21 37.283 40.908 17.299 225 2HH2 ARG 21 2HH1 ARG 21 38.406 41.100 18.604 226 H LYS 22 H LYS 22 34.295 34.606 17.329 227 HA LYS 22 HA LYS 22 32.793 36.418 19.050 228 1HB LYS 22 1HB LYS 22 32.220 34.149 17.307 229 2HB LYS 22 2HB LYS 22 31.245 34.146 18.777 230 1HG LYS 22 1HG LYS 22 29.936 35.695 17.788 231 2HG LYS 22 2HG LYS 22 31.283 36.815 17.979 232 1HD LYS 22 1HD LYS 22 32.040 35.431 15.736 233 2HD LYS 22 2HD LYS 22 30.287 35.484 15.549 234 1HE LYS 22 1HE LYS 22 30.233 37.783 15.366 235 2HE LYS 22 2HE LYS 22 31.652 38.001 16.389 236 1HZ LYS 22 3HZ LYS 22 32.349 36.572 14.054 237 2HZ LYS 22 1HZ LYS 22 31.557 38.012 13.624 238 3HZ LYS 22 2HZ LYS 22 32.938 38.067 14.606 239 H CYS 23 H CYS 23 35.132 34.505 20.016 240 HA CYS 23 HA CYS 23 33.687 33.233 22.288 241 1HB CYS 23 1HB CYS 23 36.545 32.841 22.311 242 2HB CYS 23 2HB CYS 23 35.249 31.649 22.281 243 HG CYS 23 HG CYS 23 35.539 31.378 19.819 244 H SER 24 H SER 24 33.811 36.108 22.306 245 HA SER 24 HA SER 24 34.819 37.926 23.543 246 1HB SER 24 1HB SER 24 33.946 35.692 25.300 247 2HB SER 24 2HB SER 24 34.967 36.910 26.070 248 HG SER 24 HG SER 24 33.312 38.323 24.725 249 H THR 25 H THR 25 36.081 35.623 25.647 250 HA THR 25 HA THR 25 38.814 35.855 24.565 251 HB THR 25 HB THR 25 38.298 37.023 26.896 252 HG1 THR 25 HG1 THR 25 40.394 36.666 26.204 253 1HG2 THR 25 1HG2 THR 25 36.970 35.091 27.652 254 2HG2 THR 25 2HG2 THR 25 38.445 34.103 27.607 255 3HG2 THR 25 3HG2 THR 25 38.313 35.450 28.748 256 HA PRO 26 HA PRO 26 37.174 31.816 24.075 257 1HB PRO 26 1HB PRO 26 39.418 30.716 22.849 258 2HB PRO 26 2HB PRO 26 38.210 31.722 22.027 259 1HG PRO 26 1HG PRO 26 40.952 32.467 22.969 260 2HG PRO 26 2HG PRO 26 40.019 33.115 21.608 261 1HD PRO 26 1HD PRO 26 40.297 34.383 24.112 262 2HD PRO 26 2HD PRO 26 39.028 34.737 22.920 263 H GLU 27 H GLU 27 39.780 32.695 26.050 264 HA GLU 27 HA GLU 27 40.815 30.144 26.918 265 1HB GLU 27 1HB GLU 27 40.762 32.903 28.126 266 2HB GLU 27 2HB GLU 27 41.559 31.543 28.917 267 1HG GLU 27 1HG GLU 27 42.258 31.807 26.074 268 2HG GLU 27 2HG GLU 27 42.745 33.195 27.047 269 H GLU 28 H GLU 28 37.801 31.454 27.324 270 HA GLU 28 HA GLU 28 37.309 29.771 29.735 271 1HB GLU 28 1HB GLU 28 35.765 31.411 30.635 272 2HB GLU 28 2HB GLU 28 37.275 32.257 30.293 273 1HG GLU 28 1HG GLU 28 36.346 32.988 28.108 274 2HG GLU 28 2HG GLU 28 34.821 32.200 28.517 275 H ILE 29 H ILE 29 36.295 31.252 26.848 276 HA ILE 29 HA ILE 29 33.844 30.467 26.112 277 HB ILE 29 HB ILE 29 36.404 31.078 25.162 278 1HG1 ILE 29 1HG1 ILE 29 35.164 32.559 23.835 279 2HG1 ILE 29 2HG1 ILE 29 33.699 31.599 23.947 280 1HG2 ILE 29 2HG2 ILE 29 34.738 29.144 23.658 281 2HG2 ILE 29 3HG2 ILE 29 35.946 30.158 22.872 282 3HG2 ILE 29 1HG2 ILE 29 36.424 29.030 24.137 283 1HD1 ILE 29 2HD1 ILE 29 35.050 32.603 26.405 284 2HD1 ILE 29 3HD1 ILE 29 34.067 33.723 25.461 285 3HD1 ILE 29 1HD1 ILE 29 33.337 32.268 26.147 286 H LYS 30 H LYS 30 36.756 28.522 26.244 287 HA LYS 30 HA LYS 30 35.980 26.270 24.851 288 1HB LYS 30 1HB LYS 30 37.282 25.568 27.381 289 2HB LYS 30 2HB LYS 30 37.811 25.254 25.729 290 1HG LYS 30 1HG LYS 30 38.437 27.667 25.562 291 2HG LYS 30 2HG LYS 30 38.103 27.814 27.289 292 1HD LYS 30 1HD LYS 30 40.401 27.364 27.298 293 2HD LYS 30 2HD LYS 30 39.723 25.745 27.475 294 1HE LYS 30 1HE LYS 30 41.278 25.462 25.739 295 2HE LYS 30 2HE LYS 30 39.763 25.700 24.870 296 1HZ LYS 30 2HZ LYS 30 41.635 27.906 25.516 297 2HZ LYS 30 3HZ LYS 30 41.674 27.052 24.051 298 3HZ LYS 30 1HZ LYS 30 40.298 27.957 24.468 299 H LYS 31 H LYS 31 34.829 27.484 27.773 300 HA LYS 31 HA LYS 31 33.098 25.077 28.151 301 1HB LYS 31 1HB LYS 31 33.878 27.102 30.268 302 2HB LYS 31 2HB LYS 31 33.009 25.587 30.515 303 1HG LYS 31 1HG LYS 31 35.027 24.375 29.604 304 2HG LYS 31 2HG LYS 31 35.887 25.916 29.627 305 1HD LYS 31 1HD LYS 31 36.469 25.101 31.716 306 2HD LYS 31 2HD LYS 31 34.999 25.987 32.128 307 1HE LYS 31 1HE LYS 31 33.763 24.069 32.443 308 2HE LYS 31 2HE LYS 31 34.681 23.154 31.246 309 1HZ LYS 31 1HZ LYS 31 36.315 23.951 33.438 310 2HZ LYS 31 2HZ LYS 31 34.982 23.046 33.969 311 3HZ LYS 31 3HZ LYS 31 36.038 22.397 32.807 312 H ARG 32 H ARG 32 32.409 26.952 26.296 313 HA ARG 32 HA ARG 32 30.100 28.349 27.558 314 1HB ARG 32 1HB ARG 32 32.268 29.336 25.755 315 2HB ARG 32 2HB ARG 32 30.657 30.041 25.618 316 1HG ARG 32 1HG ARG 32 31.589 31.453 27.228 317 2HG ARG 32 2HG ARG 32 30.859 30.224 28.260 318 1HD ARG 32 1HD ARG 32 33.368 29.171 27.632 319 2HD ARG 32 2HD ARG 32 33.689 30.887 27.881 320 HE ARG 32 HE ARG 32 32.771 28.993 29.943 321 1HH1 ARG 32 1HH2 ARG 32 32.626 32.252 28.897 322 2HH1 ARG 32 2HH2 ARG 32 32.867 32.924 30.476 323 1HH2 ARG 32 1HH1 ARG 32 33.333 29.848 32.005 324 2HH2 ARG 32 2HH1 ARG 32 33.264 31.564 32.233 325 H LYS 33 H LYS 33 30.536 25.816 25.938 326 HA LYS 33 HA LYS 33 28.911 24.720 24.527 327 1HB LYS 33 1HB LYS 33 27.499 26.830 24.584 328 2HB LYS 33 2HB LYS 33 28.439 27.416 23.218 329 1HG LYS 33 1HG LYS 33 27.788 25.440 21.913 330 2HG LYS 33 2HG LYS 33 26.839 24.848 23.278 331 1HD LYS 33 1HD LYS 33 26.314 27.628 22.314 332 2HD LYS 33 2HD LYS 33 25.715 26.291 21.333 333 1HE LYS 33 1HE LYS 33 24.118 25.740 22.852 334 2HE LYS 33 2HE LYS 33 25.206 25.977 24.218 335 1HZ LYS 33 2HZ LYS 33 24.637 28.450 22.958 336 2HZ LYS 33 3HZ LYS 33 23.192 27.667 23.376 337 3HZ LYS 33 1HZ LYS 33 24.361 27.981 24.568 338 H LYS 34 H LYS 34 29.805 27.121 22.157 339 HA LYS 34 HA LYS 34 31.481 27.174 20.518 340 1HB LYS 34 1HB LYS 34 32.668 24.758 21.869 341 2HB LYS 34 2HB LYS 34 33.481 25.927 20.828 342 1HG LYS 34 1HG LYS 34 32.263 26.524 23.533 343 2HG LYS 34 2HG LYS 34 33.985 26.378 23.196 344 1HD LYS 34 1HD LYS 34 34.101 28.433 22.217 345 2HD LYS 34 2HD LYS 34 32.535 28.263 21.444 346 1HE LYS 34 1HE LYS 34 31.669 28.432 23.961 347 2HE LYS 34 2HE LYS 34 33.180 29.318 24.164 348 1HZ LYS 34 1HZ LYS 34 31.389 29.931 21.906 349 2HZ LYS 34 2HZ LYS 34 31.077 30.584 23.443 350 3HZ LYS 34 3HZ LYS 34 32.540 30.925 22.661 351 H ALA 35 H ALA 35 30.448 23.826 21.266 352 HA ALA 35 HA ALA 35 29.973 23.499 18.385 353 1HB ALA 35 2HB ALA 35 31.960 22.190 19.353 354 2HB ALA 35 3HB ALA 35 30.755 21.283 20.264 355 3HB ALA 35 1HB ALA 35 30.723 21.252 18.503 356 H VAL 36 H VAL 36 28.200 22.130 18.012 357 HA VAL 36 HA VAL 36 26.528 21.240 20.225 358 HB VAL 36 HB VAL 36 24.765 22.939 19.318 359 1HG1 VAL 36 3HG1 VAL 36 25.955 22.707 21.659 360 2HG1 VAL 36 1HG1 VAL 36 26.805 24.154 21.127 361 3HG1 VAL 36 2HG1 VAL 36 25.049 24.164 21.269 362 1HG2 VAL 36 1HG2 VAL 36 27.415 24.265 18.739 363 2HG2 VAL 36 2HG2 VAL 36 26.111 23.934 17.587 364 3HG2 VAL 36 3HG2 VAL 36 25.893 25.135 18.870 365 H ILE 37 H ILE 37 24.881 19.865 19.535 366 HA ILE 37 HA ILE 37 24.396 19.765 16.624 367 HB ILE 37 HB ILE 37 24.193 17.739 18.812 368 1HG1 ILE 37 1HG1 ILE 37 24.789 16.874 16.075 369 2HG1 ILE 37 2HG1 ILE 37 25.915 18.104 16.650 370 1HG2 ILE 37 3HG2 ILE 37 22.494 18.062 16.376 371 2HG2 ILE 37 1HG2 ILE 37 22.784 16.459 17.058 372 3HG2 ILE 37 2HG2 ILE 37 22.000 17.705 18.034 373 1HD1 ILE 37 2HD1 ILE 37 26.039 16.658 18.809 374 2HD1 ILE 37 3HD1 ILE 37 25.360 15.365 17.816 375 3HD1 ILE 37 1HD1 ILE 37 26.911 16.092 17.391 376 H PHE 38 H PHE 38 22.132 19.672 16.037 377 HA PHE 38 HA PHE 38 20.205 20.520 18.115 378 1HB PHE 38 1HB PHE 38 21.191 22.029 15.726 379 2HB PHE 38 2HB PHE 38 19.466 22.115 16.057 380 HD1 PHE 38 HD2 PHE 38 22.819 22.510 17.869 381 HD2 PHE 38 HD1 PHE 38 18.682 23.650 17.521 382 HE1 PHE 38 HE2 PHE 38 23.111 24.185 19.661 383 HE2 PHE 38 HE1 PHE 38 18.995 25.329 19.288 384 HZ PHE 38 HZ PHE 38 21.205 25.600 20.375 385 H CYS 39 H CYS 39 18.018 19.523 17.630 386 HA CYS 39 HA CYS 39 17.851 18.374 14.887 387 1HB CYS 39 1HB CYS 39 17.001 16.181 15.947 388 2HB CYS 39 2HB CYS 39 18.736 16.494 15.887 389 HG CYS 39 HG CYS 39 18.647 17.191 18.422 390 H LEU 40 H LEU 40 16.209 20.413 15.490 391 HA LEU 40 HA LEU 40 13.946 20.936 15.242 392 1HB LEU 40 1HB LEU 40 13.495 17.958 15.120 393 2HB LEU 40 2HB LEU 40 12.522 19.231 14.387 394 HG LEU 40 HG LEU 40 15.262 18.288 13.614 395 1HD1 LEU 40 2HD1 LEU 40 12.567 18.488 12.400 396 2HD1 LEU 40 3HD1 LEU 40 13.898 18.954 11.342 397 3HD1 LEU 40 1HD1 LEU 40 13.873 17.344 12.066 398 1HD2 LEU 40 1HD2 LEU 40 14.122 21.053 13.489 399 2HD2 LEU 40 2HD2 LEU 40 15.793 20.539 13.705 400 3HD2 LEU 40 3HD2 LEU 40 15.055 20.484 12.104 401 H SER 41 H SER 41 12.529 21.603 16.627 402 HA SER 41 HA SER 41 12.476 21.336 19.317 403 1HB SER 41 1HB SER 41 10.096 21.756 17.521 404 2HB SER 41 2HB SER 41 10.131 22.115 19.242 405 HG SER 41 HG SER 41 10.969 23.950 18.672 406 H ALA 42 H ALA 42 10.366 20.448 20.564 407 HA ALA 42 HA ALA 42 10.473 17.565 20.446 408 1HB ALA 42 3HB ALA 42 8.629 19.494 21.880 409 2HB ALA 42 1HB ALA 42 8.475 17.745 22.030 410 3HB ALA 42 2HB ALA 42 9.947 18.549 22.572 411 H ASP 43 H ASP 43 9.149 16.168 19.336 412 HA ASP 43 HA ASP 43 7.276 15.432 18.079 413 1HB ASP 43 1HB ASP 43 6.025 17.359 19.323 414 2HB ASP 43 2HB ASP 43 6.287 18.270 17.835 415 H LYS 44 H LYS 44 9.539 17.828 17.352 416 HA LYS 44 HA LYS 44 10.780 18.083 15.411 417 1HB LYS 44 1HB LYS 44 9.184 15.860 14.707 418 2HB LYS 44 2HB LYS 44 9.045 17.024 13.384 419 1HG LYS 44 1HG LYS 44 10.987 15.554 13.029 420 2HG LYS 44 2HG LYS 44 11.518 17.212 13.317 421 1HD LYS 44 1HD LYS 44 12.936 16.053 14.767 422 2HD LYS 44 2HD LYS 44 11.583 16.420 15.842 423 1HE LYS 44 1HE LYS 44 10.879 14.031 14.510 424 2HE LYS 44 2HE LYS 44 12.565 13.839 14.992 425 1HZ LYS 44 2HZ LYS 44 11.334 15.022 17.139 426 2HZ LYS 44 3HZ LYS 44 10.219 13.860 16.605 427 3HZ LYS 44 1HZ LYS 44 11.801 13.393 17.011 428 H LYS 45 H LYS 45 10.931 19.884 14.481 429 HA LYS 45 HA LYS 45 9.722 21.401 12.779 430 1HB LYS 45 1HB LYS 45 8.020 21.264 15.214 431 2HB LYS 45 2HB LYS 45 8.184 22.822 14.343 432 1HG LYS 45 1HG LYS 45 7.211 21.981 12.396 433 2HG LYS 45 2HG LYS 45 7.606 20.310 12.807 434 1HD LYS 45 1HD LYS 45 5.970 20.666 14.810 435 2HD LYS 45 2HD LYS 45 5.373 22.035 13.871 436 1HE LYS 45 1HE LYS 45 4.510 20.695 12.199 437 2HE LYS 45 2HE LYS 45 5.696 19.418 12.466 438 1HZ LYS 45 3HZ LYS 45 3.993 19.864 14.731 439 2HZ LYS 45 1HZ LYS 45 3.128 19.405 13.343 440 3HZ LYS 45 2HZ LYS 45 4.374 18.415 13.930 441 H CYS 46 H CYS 46 10.762 23.254 12.802 442 HA CYS 46 HA CYS 46 12.104 25.064 13.479 443 1HB CYS 46 1HB CYS 46 10.966 24.233 16.134 444 2HB CYS 46 2HB CYS 46 12.457 25.187 16.109 445 HG CYS 46 HG CYS 46 10.779 26.712 14.328 446 H ILE 47 H ILE 47 14.205 24.607 13.059 447 HA ILE 47 HA ILE 47 15.751 22.430 13.773 448 HB ILE 47 HB ILE 47 16.205 24.918 12.709 449 1HG1 ILE 47 1HG1 ILE 47 18.718 24.130 12.977 450 2HG1 ILE 47 2HG1 ILE 47 17.949 22.652 13.573 451 1HG2 ILE 47 1HG2 ILE 47 16.286 25.628 15.187 452 2HG2 ILE 47 2HG2 ILE 47 17.880 24.865 15.196 453 3HG2 ILE 47 3HG2 ILE 47 17.549 26.209 14.101 454 1HD1 ILE 47 2HD1 ILE 47 16.373 23.254 11.420 455 2HD1 ILE 47 3HD1 ILE 47 17.961 23.800 10.865 456 3HD1 ILE 47 1HD1 ILE 47 17.753 22.118 11.380 457 H ILE 48 H ILE 48 17.029 22.033 15.845 458 HA ILE 48 HA ILE 48 16.512 23.854 18.067 459 HB ILE 48 HB ILE 48 14.422 22.265 17.430 460 1HG1 ILE 48 1HG1 ILE 48 15.235 23.887 19.610 461 2HG1 ILE 48 2HG1 ILE 48 13.590 23.358 19.234 462 1HG2 ILE 48 2HG2 ILE 48 15.695 20.201 17.844 463 2HG2 ILE 48 3HG2 ILE 48 16.038 20.725 19.488 464 3HG2 ILE 48 1HG2 ILE 48 14.387 20.374 19.010 465 1HD1 ILE 48 3HD1 ILE 48 15.585 21.665 20.760 466 2HD1 ILE 48 1HD1 ILE 48 14.374 22.691 21.539 467 3HD1 ILE 48 2HD1 ILE 48 13.868 21.343 20.519 468 H VAL 49 H VAL 49 16.990 22.642 20.175 469 HA VAL 49 HA VAL 49 19.218 20.705 19.685 470 HB VAL 49 HB VAL 49 20.147 22.858 20.455 471 1HG1 VAL 49 2HG1 VAL 49 17.797 23.071 21.863 472 2HG1 VAL 49 3HG1 VAL 49 18.945 22.658 23.137 473 3HG1 VAL 49 1HG1 VAL 49 19.218 24.081 22.130 474 1HG2 VAL 49 3HG2 VAL 49 20.166 20.409 22.190 475 2HG2 VAL 49 1HG2 VAL 49 21.476 21.124 21.244 476 3HG2 VAL 49 2HG2 VAL 49 20.993 21.859 22.775 477 H GLU 50 H GLU 50 18.268 18.768 20.305 478 HA GLU 50 HA GLU 50 17.408 18.478 23.060 479 1HB GLU 50 1HB GLU 50 15.333 19.408 22.332 480 2HB GLU 50 2HB GLU 50 15.372 18.489 20.831 481 1HG GLU 50 1HG GLU 50 15.396 16.429 22.563 482 2HG GLU 50 2HG GLU 50 14.579 17.618 23.570 483 H GLU 51 H GLU 51 18.956 16.893 23.103 484 HA GLU 51 HA GLU 51 18.090 14.293 22.426 485 1HB GLU 51 1HB GLU 51 18.750 14.024 20.287 486 2HB GLU 51 2HB GLU 51 18.874 15.790 20.280 487 1HG GLU 51 1HG GLU 51 20.985 15.057 19.533 488 2HG GLU 51 2HG GLU 51 21.225 15.462 21.231 489 H GLY 52 H GLY 52 20.694 16.421 23.103 490 1HA GLY 52 1HA GLY 52 22.176 16.099 24.989 491 2HA GLY 52 2HA GLY 52 21.856 14.370 24.898 492 H LYS 53 H LYS 53 23.323 16.936 22.848 493 HA LYS 53 HA LYS 53 25.616 15.101 22.390 494 1HB LYS 53 1HB LYS 53 24.621 16.856 20.177 495 2HB LYS 53 2HB LYS 53 25.573 15.389 20.063 496 1HG LYS 53 1HG LYS 53 22.993 14.824 21.234 497 2HG LYS 53 2HG LYS 53 22.800 15.661 19.692 498 1HD LYS 53 1HD LYS 53 22.932 13.248 19.291 499 2HD LYS 53 2HD LYS 53 24.380 14.026 18.646 500 1HE LYS 53 1HE LYS 53 25.737 13.016 20.166 501 2HE LYS 53 2HE LYS 53 24.604 13.289 21.488 502 1HZ LYS 53 3HZ LYS 53 23.776 11.350 19.492 503 2HZ LYS 53 1HZ LYS 53 25.098 10.890 20.457 504 3HZ LYS 53 2HZ LYS 53 23.619 11.308 21.179 505 H GLU 54 H GLU 54 26.288 17.443 20.397 506 HA GLU 54 HA GLU 54 27.207 19.599 20.451 507 1HB GLU 54 1HB GLU 54 26.244 20.966 21.940 508 2HB GLU 54 2HB GLU 54 25.544 19.571 22.740 509 1HG GLU 54 1HG GLU 54 27.535 19.343 24.150 510 2HG GLU 54 2HG GLU 54 28.331 20.674 23.300 511 H ILE 55 H ILE 55 29.358 20.058 20.493 512 HA ILE 55 HA ILE 55 31.066 18.569 22.424 513 HB ILE 55 HB ILE 55 31.399 19.388 19.691 514 1HG1 ILE 55 1HG1 ILE 55 33.346 18.099 21.589 515 2HG1 ILE 55 2HG1 ILE 55 32.017 17.213 20.790 516 1HG2 ILE 55 2HG2 ILE 55 32.504 21.399 20.930 517 2HG2 ILE 55 3HG2 ILE 55 33.681 20.206 21.495 518 3HG2 ILE 55 1HG2 ILE 55 33.474 20.504 19.772 519 1HD1 ILE 55 2HD1 ILE 55 33.077 18.762 18.793 520 2HD1 ILE 55 3HD1 ILE 55 34.509 18.216 19.669 521 3HD1 ILE 55 1HD1 ILE 55 33.375 17.044 19.006 522 H LEU 56 H LEU 56 32.849 20.173 23.259 523 HA LEU 56 HA LEU 56 31.880 22.909 23.314 524 1HB LEU 56 1HB LEU 56 30.659 21.959 25.131 525 2HB LEU 56 2HB LEU 56 32.079 21.101 25.707 526 HG LEU 56 HG LEU 56 31.118 23.321 26.807 527 1HD1 LEU 56 3HD1 LEU 56 33.756 21.983 26.642 528 2HD1 LEU 56 1HD1 LEU 56 33.718 23.545 27.457 529 3HD1 LEU 56 2HD1 LEU 56 32.692 22.241 28.017 530 1HD2 LEU 56 1HD2 LEU 56 33.151 24.304 24.766 531 2HD2 LEU 56 2HD2 LEU 56 31.467 24.782 24.883 532 3HD2 LEU 56 3HD2 LEU 56 32.599 25.220 26.148 533 H VAL 57 H VAL 57 34.039 22.143 21.905 534 HA VAL 57 HA VAL 57 36.427 21.927 21.983 535 HB VAL 57 HB VAL 57 37.203 24.043 21.558 536 1HG1 VAL 57 3HG1 VAL 57 34.203 24.014 21.319 537 2HG1 VAL 57 1HG1 VAL 57 35.194 25.304 20.633 538 3HG1 VAL 57 2HG1 VAL 57 35.400 23.644 20.080 539 1HG2 VAL 57 3HG2 VAL 57 35.218 25.078 23.595 540 2HG2 VAL 57 1HG2 VAL 57 36.974 25.090 23.743 541 3HG2 VAL 57 2HG2 VAL 57 36.181 26.117 22.550 542 H GLY 58 H GLY 58 35.732 23.967 24.937 543 1HA GLY 58 1HA GLY 58 38.100 23.525 26.308 544 2HA GLY 58 2HA GLY 58 36.532 23.514 27.131 545 H ASP 59 H ASP 59 35.376 21.307 25.843 546 HA ASP 59 HA ASP 59 36.451 19.056 27.258 547 1HB ASP 59 1HB ASP 59 34.416 19.454 25.071 548 2HB ASP 59 2HB ASP 59 35.085 17.828 25.305 549 H VAL 60 H VAL 60 36.334 19.869 23.791 550 HA VAL 60 HA VAL 60 37.990 18.029 22.633 551 HB VAL 60 HB VAL 60 38.043 21.030 22.231 552 1HG1 VAL 60 2HG1 VAL 60 39.921 19.261 21.313 553 2HG1 VAL 60 3HG1 VAL 60 38.731 19.254 20.011 554 3HG1 VAL 60 1HG1 VAL 60 39.481 20.769 20.507 555 1HG2 VAL 60 1HG2 VAL 60 35.867 19.763 21.904 556 2HG2 VAL 60 2HG2 VAL 60 36.457 20.601 20.469 557 3HG2 VAL 60 3HG2 VAL 60 36.674 18.858 20.625 558 H GLY 61 H GLY 61 39.550 17.190 23.953 559 1HA GLY 61 1HA GLY 61 42.116 17.567 24.006 560 2HA GLY 61 2HA GLY 61 41.693 18.976 24.981 561 H VAL 62 H VAL 62 39.386 16.850 25.701 562 HA VAL 62 HA VAL 62 40.847 15.564 27.950 563 HB VAL 62 HB VAL 62 38.055 16.734 27.727 564 1HG1 VAL 62 1HG1 VAL 62 39.195 14.815 29.759 565 2HG1 VAL 62 2HG1 VAL 62 37.810 15.849 30.108 566 3HG1 VAL 62 3HG1 VAL 62 37.714 14.652 28.815 567 1HG2 VAL 62 2HG2 VAL 62 40.262 18.005 28.433 568 2HG2 VAL 62 3HG2 VAL 62 38.748 18.286 29.292 569 3HG2 VAL 62 1HG2 VAL 62 39.966 17.210 29.980 570 H THR 63 H THR 63 37.516 15.121 26.943 571 HA THR 63 HA THR 63 37.951 12.284 26.428 572 HB THR 63 HB THR 63 35.599 14.156 26.058 573 HG1 THR 63 HG1 THR 63 35.682 11.859 27.666 574 1HG2 THR 63 2HG2 THR 63 36.003 11.320 25.190 575 2HG2 THR 63 3HG2 THR 63 34.401 11.852 25.703 576 3HG2 THR 63 1HG2 THR 63 35.202 12.645 24.347 577 H ILE 64 H ILE 64 38.242 15.285 24.812 578 HA ILE 64 HA ILE 64 38.383 13.857 22.189 579 HB ILE 64 HB ILE 64 37.759 16.501 21.596 580 1HG1 ILE 64 1HG1 ILE 64 36.262 15.541 24.069 581 2HG1 ILE 64 2HG1 ILE 64 37.183 17.034 23.917 582 1HG2 ILE 64 1HG2 ILE 64 36.889 14.029 20.976 583 2HG2 ILE 64 2HG2 ILE 64 35.567 14.541 22.034 584 3HG2 ILE 64 3HG2 ILE 64 35.958 15.475 20.588 585 1HD1 ILE 64 3HD1 ILE 64 35.003 16.640 21.928 586 2HD1 ILE 64 1HD1 ILE 64 34.487 16.899 23.591 587 3HD1 ILE 64 2HD1 ILE 64 35.496 18.101 22.783 588 H THR 65 H THR 65 39.538 15.856 20.618 589 HA THR 65 HA THR 65 41.807 16.992 22.106 590 HB THR 65 HB THR 65 43.057 15.508 20.041 591 HG1 THR 65 HG1 THR 65 42.230 13.574 20.208 592 1HG2 THR 65 3HG2 THR 65 43.462 16.219 22.687 593 2HG2 THR 65 1HG2 THR 65 43.317 14.464 22.761 594 3HG2 THR 65 2HG2 THR 65 44.537 15.204 21.723 595 H ASP 66 H ASP 66 39.637 17.677 19.948 596 HA ASP 66 HA ASP 66 39.736 19.690 18.645 597 1HB ASP 66 1HB ASP 66 42.182 19.786 19.536 598 2HB ASP 66 2HB ASP 66 42.579 19.209 17.914 599 HA PRO 67 HA PRO 67 40.567 17.064 14.768 600 1HB PRO 67 1HB PRO 67 39.571 14.517 15.012 601 2HB PRO 67 2HB PRO 67 41.262 14.926 15.327 602 1HG PRO 67 1HG PRO 67 39.078 14.365 17.295 603 2HG PRO 67 2HG PRO 67 40.819 14.059 17.430 604 1HD PRO 67 1HD PRO 67 39.466 16.222 18.620 605 2HD PRO 67 2HD PRO 67 41.218 16.112 18.344 606 H PHE 68 H PHE 68 37.947 14.948 15.474 607 HA PHE 68 HA PHE 68 35.735 16.760 15.537 608 1HB PHE 68 1HB PHE 68 35.112 16.968 13.297 609 2HB PHE 68 2HB PHE 68 36.877 17.001 13.131 610 HD1 PHE 68 HD1 PHE 68 38.107 14.851 12.843 611 HD2 PHE 68 HD2 PHE 68 33.863 15.137 12.386 612 HE1 PHE 68 HE1 PHE 68 38.090 12.667 11.718 613 HE2 PHE 68 HE2 PHE 68 33.846 12.918 11.273 614 HZ PHE 68 HZ PHE 68 35.948 11.686 10.936 615 H LYS 69 H LYS 69 37.100 13.656 14.597 616 HA LYS 69 HA LYS 69 34.736 12.155 14.197 617 1HB LYS 69 1HB LYS 69 36.189 10.163 14.739 618 2HB LYS 69 2HB LYS 69 36.829 11.236 13.497 619 1HG LYS 69 1HG LYS 69 38.677 10.808 14.907 620 2HG LYS 69 2HG LYS 69 38.106 12.395 15.416 621 1HD LYS 69 1HD LYS 69 36.657 10.377 16.852 622 2HD LYS 69 2HD LYS 69 38.388 10.070 17.011 623 1HE LYS 69 1HE LYS 69 38.787 12.296 17.825 624 2HE LYS 69 2HE LYS 69 37.140 12.791 17.433 625 1HZ LYS 69 3HZ LYS 69 37.874 10.708 19.418 626 2HZ LYS 69 1HZ LYS 69 37.427 12.299 19.800 627 3HZ LYS 69 2HZ LYS 69 36.303 11.253 19.071 628 H HIS 70 H HIS 70 35.399 13.697 17.052 629 HA HIS 70 HA HIS 70 34.321 11.500 18.729 630 1HB HIS 70 1HB HIS 70 35.639 12.573 20.220 631 2HB HIS 70 2HB HIS 70 35.696 14.042 19.237 632 HD1 HIS 70 HD1 HIS 70 33.199 12.183 21.440 633 HD2 HIS 70 HD2 HIS 70 34.055 16.049 20.208 634 HE1 HIS 70 HE1 HIS 70 31.628 13.726 22.674 635 H PHE 71 H PHE 71 33.665 14.878 17.858 636 HA PHE 71 HA PHE 71 31.042 14.964 18.908 637 1HB PHE 71 1HB PHE 71 31.687 17.121 18.389 638 2HB PHE 71 2HB PHE 71 32.681 16.597 17.034 639 HD1 PHE 71 HD1 PHE 71 31.406 15.801 14.898 640 HD2 PHE 71 HD2 PHE 71 29.646 18.120 18.048 641 HE1 PHE 71 HE1 PHE 71 29.595 16.525 13.363 642 HE2 PHE 71 HE2 PHE 71 27.841 18.827 16.537 643 HZ PHE 71 HZ PHE 71 27.811 18.037 14.182 644 H VAL 72 H VAL 72 32.363 13.791 15.844 645 HA VAL 72 HA VAL 72 29.868 13.407 14.496 646 HB VAL 72 HB VAL 72 31.106 12.004 13.055 647 1HG1 VAL 72 3HG1 VAL 72 32.132 14.444 13.837 648 2HG1 VAL 72 1HG1 VAL 72 33.528 13.372 13.821 649 3HG1 VAL 72 2HG1 VAL 72 32.553 13.563 12.373 650 1HG2 VAL 72 2HG2 VAL 72 32.865 11.510 15.411 651 2HG2 VAL 72 3HG2 VAL 72 31.891 10.335 14.537 652 3HG2 VAL 72 1HG2 VAL 72 33.324 11.034 13.780 653 H GLY 73 H GLY 73 31.739 11.670 16.825 654 1HA GLY 73 1HA GLY 73 30.229 9.253 16.969 655 2HA GLY 73 2HA GLY 73 31.163 9.937 18.311 656 H MET 74 H MET 74 29.841 12.507 18.393 657 HA MET 74 HA MET 74 27.567 11.896 20.035 658 1HB MET 74 1HB MET 74 28.255 14.463 18.583 659 2HB MET 74 2HB MET 74 27.045 14.307 19.849 660 1HG MET 74 1HG MET 74 28.914 13.396 21.340 661 2HG MET 74 2HG MET 74 30.041 13.958 20.103 662 1HE MET 74 3HE MET 74 29.359 16.093 18.864 663 2HE MET 74 1HE MET 74 29.451 17.619 19.752 664 3HE MET 74 2HE MET 74 30.803 16.476 19.828 665 H LEU 75 H LEU 75 28.085 12.552 16.686 666 HA LEU 75 HA LEU 75 25.267 12.598 15.922 667 1HB LEU 75 1HB LEU 75 27.727 12.179 14.194 668 2HB LEU 75 2HB LEU 75 26.179 12.806 13.682 669 HG LEU 75 HG LEU 75 28.078 14.143 15.601 670 1HD1 LEU 75 1HD1 LEU 75 27.561 14.289 12.698 671 2HD1 LEU 75 2HD1 LEU 75 27.601 15.853 13.511 672 3HD1 LEU 75 3HD1 LEU 75 28.991 14.771 13.607 673 1HD2 LEU 75 1HD2 LEU 75 25.387 15.041 14.523 674 2HD2 LEU 75 2HD2 LEU 75 25.713 14.548 16.185 675 3HD2 LEU 75 3HD2 LEU 75 26.462 16.005 15.536 676 HA PRO 76 HA PRO 76 25.565 8.031 15.775 677 1HB PRO 76 1HB PRO 76 22.962 7.568 16.476 678 2HB PRO 76 2HB PRO 76 24.230 7.913 17.663 679 1HG PRO 76 1HG PRO 76 21.987 9.629 16.809 680 2HG PRO 76 2HG PRO 76 23.004 9.761 18.250 681 1HD PRO 76 1HD PRO 76 23.206 11.273 15.783 682 2HD PRO 76 2HD PRO 76 24.182 11.442 17.246 683 H GLU 77 H GLU 77 23.268 6.607 14.876 684 HA GLU 77 HA GLU 77 23.001 7.698 12.116 685 1HB GLU 77 1HB GLU 77 22.311 4.866 12.855 686 2HB GLU 77 2HB GLU 77 22.919 5.500 11.326 687 1HG GLU 77 1HG GLU 77 25.128 5.706 12.152 688 2HG GLU 77 2HG GLU 77 24.608 5.530 13.829 689 H LYS 78 H LYS 78 21.330 6.958 15.004 690 HA LYS 78 HA LYS 78 18.673 6.902 13.708 691 1HB LYS 78 1HB LYS 78 17.826 6.095 15.729 692 2HB LYS 78 2HB LYS 78 19.441 5.391 15.679 693 1HG LYS 78 1HG LYS 78 18.845 8.012 17.064 694 2HG LYS 78 2HG LYS 78 18.784 6.464 17.890 695 1HD LYS 78 1HD LYS 78 21.174 7.772 16.583 696 2HD LYS 78 2HD LYS 78 20.968 7.363 18.283 697 1HE LYS 78 1HE LYS 78 21.289 5.431 15.970 698 2HE LYS 78 2HE LYS 78 22.369 5.651 17.346 699 1HZ LYS 78 1HZ LYS 78 19.566 4.681 17.490 700 2HZ LYS 78 2HZ LYS 78 20.953 3.708 17.618 701 3HZ LYS 78 3HZ LYS 78 20.621 4.870 18.808 702 H ASP 79 H ASP 79 20.451 9.415 13.945 703 HA ASP 79 HA ASP 79 18.247 11.132 14.819 704 1HB ASP 79 1HB ASP 79 20.880 10.974 16.287 705 2HB ASP 79 2HB ASP 79 19.874 12.414 16.347 706 H CYS 80 H CYS 80 18.156 12.613 13.286 707 HA CYS 80 HA CYS 80 20.622 13.395 11.853 708 1HB CYS 80 1HB CYS 80 18.648 12.638 10.495 709 2HB CYS 80 2HB CYS 80 17.746 14.004 11.146 710 HG CYS 80 HG CYS 80 19.458 14.243 8.795 711 H ARG 81 H ARG 81 21.489 15.207 12.578 712 HA ARG 81 HA ARG 81 19.693 17.294 13.703 713 1HB ARG 81 1HB ARG 81 22.258 17.012 15.069 714 2HB ARG 81 2HB ARG 81 20.651 17.219 15.755 715 1HG ARG 81 1HG ARG 81 20.934 14.564 14.590 716 2HG ARG 81 2HG ARG 81 22.224 14.876 15.735 717 1HD ARG 81 1HD ARG 81 20.698 14.229 17.281 718 2HD ARG 81 2HD ARG 81 20.063 15.864 17.087 719 HE ARG 81 HE ARG 81 18.803 14.404 15.087 720 1HH1 ARG 81 1HH1 ARG 81 19.243 14.068 18.492 721 2HH1 ARG 81 2HH1 ARG 81 17.700 13.325 18.749 722 1HH2 ARG 81 1HH2 ARG 81 16.766 13.499 15.413 723 2HH2 ARG 81 2HH2 ARG 81 16.297 13.000 17.004 724 H TYR 82 H TYR 82 20.342 19.403 13.381 725 HA TYR 82 HA TYR 82 22.616 19.884 11.569 726 1HB TYR 82 1HB TYR 82 20.277 21.481 12.600 727 2HB TYR 82 2HB TYR 82 21.656 22.312 11.893 728 HD1 TYR 82 HD2 TYR 82 21.653 19.184 10.406 729 HD2 TYR 82 HD1 TYR 82 19.423 22.844 10.331 730 HE1 TYR 82 HE2 TYR 82 20.870 18.653 8.132 731 HE2 TYR 82 HE1 TYR 82 18.612 22.299 8.052 732 HH TYR 82 HH TYR 82 18.326 20.406 6.601 733 H ALA 83 H ALA 83 24.612 20.403 12.457 734 HA ALA 83 HA ALA 83 24.581 21.372 15.252 735 1HB ALA 83 3HB ALA 83 24.996 18.921 15.073 736 2HB ALA 83 1HB ALA 83 26.445 19.282 14.139 737 3HB ALA 83 2HB ALA 83 26.326 19.811 15.818 738 H LEU 84 H LEU 84 25.905 23.008 15.640 739 HA LEU 84 HA LEU 84 27.993 23.707 13.672 740 1HB LEU 84 1HB LEU 84 26.828 25.363 15.881 741 2HB LEU 84 2HB LEU 84 28.055 25.901 14.751 742 HG LEU 84 HG LEU 84 25.261 25.007 14.011 743 1HD1 LEU 84 2HD1 LEU 84 26.527 27.575 14.666 744 2HD1 LEU 84 3HD1 LEU 84 25.644 27.589 13.139 745 3HD1 LEU 84 1HD1 LEU 84 24.821 27.147 14.637 746 1HD2 LEU 84 3HD2 LEU 84 27.626 24.914 12.517 747 2HD2 LEU 84 1HD2 LEU 84 25.982 24.882 11.881 748 3HD2 LEU 84 2HD2 LEU 84 26.842 26.413 12.009 749 H TYR 85 H TYR 85 29.899 22.873 14.189 750 HA TYR 85 HA TYR 85 30.570 22.608 17.092 751 1HB TYR 85 1HB TYR 85 30.817 20.485 16.241 752 2HB TYR 85 2HB TYR 85 31.252 21.062 14.630 753 HD1 TYR 85 HD2 TYR 85 32.484 21.064 18.153 754 HD2 TYR 85 HD1 TYR 85 33.493 21.103 13.972 755 HE1 TYR 85 HE2 TYR 85 34.893 20.821 18.747 756 HE2 TYR 85 HE1 TYR 85 35.897 20.813 14.559 757 HH TYR 85 HH TYR 85 37.401 20.866 16.223 758 H ASP 86 H ASP 86 32.073 23.962 17.878 759 HA ASP 86 HA ASP 86 33.413 25.965 16.395 760 1HB ASP 86 1HB ASP 86 33.342 25.127 19.082 761 2HB ASP 86 2HB ASP 86 35.041 25.037 18.619 762 H ALA 87 H ALA 87 34.441 25.209 14.533 763 HA ALA 87 HA ALA 87 36.235 22.883 14.678 764 1HB ALA 87 3HB ALA 87 34.886 24.353 12.599 765 2HB ALA 87 1HB ALA 87 36.612 24.252 12.232 766 3HB ALA 87 2HB ALA 87 35.678 22.780 12.504 767 H SER 88 H SER 88 38.341 23.060 15.233 768 HA SER 88 HA SER 88 39.634 25.746 15.013 769 1HB SER 88 1HB SER 88 40.115 23.354 16.764 770 2HB SER 88 2HB SER 88 41.427 24.479 16.428 771 HG SER 88 HG SER 88 40.496 25.911 17.661 772 H PHE 89 H PHE 89 40.217 25.652 12.849 773 HA PHE 89 HA PHE 89 42.328 23.646 12.191 774 1HB PHE 89 1HB PHE 89 41.349 23.208 10.054 775 2HB PHE 89 2HB PHE 89 40.044 23.055 11.238 776 HD1 PHE 89 HD2 PHE 89 41.516 25.213 8.615 777 HD2 PHE 89 HD1 PHE 89 38.296 24.713 11.423 778 HE1 PHE 89 HE2 PHE 89 40.250 27.025 7.490 779 HE2 PHE 89 HE1 PHE 89 37.037 26.529 10.300 780 HZ PHE 89 HZ PHE 89 38.013 27.686 8.334 781 H GLU 90 H GLU 90 43.963 24.421 10.855 782 HA GLU 90 HA GLU 90 43.995 27.345 10.412 783 1HB GLU 90 1HB GLU 90 46.135 25.246 10.011 784 2HB GLU 90 2HB GLU 90 46.346 26.976 9.693 785 1HG GLU 90 1HG GLU 90 46.577 27.451 11.882 786 2HG GLU 90 2HG GLU 90 45.181 26.469 12.321 787 H THR 91 H THR 91 44.918 28.029 8.243 788 HA THR 91 HA THR 91 44.118 26.218 6.066 789 HB THR 91 HB THR 91 42.029 27.249 6.259 790 HG1 THR 91 HG1 THR 91 41.915 28.454 4.539 791 1HG2 THR 91 3HG2 THR 91 42.801 28.573 8.219 792 2HG2 THR 91 1HG2 THR 91 43.414 29.816 7.106 793 3HG2 THR 91 2HG2 THR 91 41.684 29.449 7.181 794 H LYS 92 H LYS 92 44.395 27.975 3.849 795 HA LYS 92 HA LYS 92 47.174 28.639 3.862 796 1HB LYS 92 1HB LYS 92 45.067 30.135 2.269 797 2HB LYS 92 2HB LYS 92 46.745 29.837 1.821 798 1HG LYS 92 1HG LYS 92 45.175 27.395 2.317 799 2HG LYS 92 2HG LYS 92 44.617 28.346 0.944 800 1HD LYS 92 1HD LYS 92 46.587 28.060 -0.231 801 2HD LYS 92 2HD LYS 92 47.555 27.870 1.231 802 1HE LYS 92 1HE LYS 92 46.902 25.630 1.524 803 2HE LYS 92 2HE LYS 92 45.480 25.815 0.497 804 1HZ LYS 92 2HZ LYS 92 47.197 26.325 -1.324 805 2HZ LYS 92 3HZ LYS 92 48.308 25.562 -0.287 806 3HZ LYS 92 1HZ LYS 92 46.960 24.707 -0.859 807 H GLU 93 H GLU 93 44.288 30.023 5.124 808 HA GLU 93 HA GLU 93 45.345 32.672 5.636 809 1HB GLU 93 1HB GLU 93 43.053 31.678 7.226 810 2HB GLU 93 2HB GLU 93 43.236 33.198 6.348 811 1HG GLU 93 1HG GLU 93 43.183 31.530 4.246 812 2HG GLU 93 2HG GLU 93 42.242 30.559 5.379 813 H SER 94 H SER 94 45.067 29.632 7.293 814 HA SER 94 HA SER 94 46.689 28.962 8.979 815 1HB SER 94 1HB SER 94 46.228 31.745 9.993 816 2HB SER 94 2HB SER 94 47.301 30.543 10.699 817 HG SER 94 HG SER 94 48.697 31.518 9.416 818 H ARG 95 H ARG 95 46.175 29.216 11.599 819 HA ARG 95 HA ARG 95 43.680 28.014 11.988 820 1HB ARG 95 1HB ARG 95 44.131 28.189 14.297 821 2HB ARG 95 2HB ARG 95 45.720 28.056 13.546 822 1HG ARG 95 1HG ARG 95 46.269 30.246 14.004 823 2HG ARG 95 2HG ARG 95 44.595 30.795 13.936 824 1HD ARG 95 1HD ARG 95 44.095 29.679 16.015 825 2HD ARG 95 2HD ARG 95 45.737 29.042 16.089 826 HE ARG 95 HE ARG 95 45.010 31.914 16.439 827 1HH1 ARG 95 1HH2 ARG 95 47.478 32.574 15.798 828 2HH1 ARG 95 2HH2 ARG 95 48.565 32.014 17.024 829 1HH2 ARG 95 1HH1 ARG 95 46.296 29.772 18.382 830 2HH2 ARG 95 2HH1 ARG 95 47.895 30.426 18.487 831 H LYS 96 H LYS 96 41.813 28.858 12.503 832 HA LYS 96 HA LYS 96 41.287 31.649 13.089 833 1HB LYS 96 1HB LYS 96 40.914 30.597 10.289 834 2HB LYS 96 2HB LYS 96 39.927 31.923 10.896 835 1HG LYS 96 1HG LYS 96 42.349 32.851 11.610 836 2HG LYS 96 2HG LYS 96 42.831 31.871 10.222 837 1HD LYS 96 1HD LYS 96 40.788 33.071 9.053 838 2HD LYS 96 2HD LYS 96 41.042 34.281 10.311 839 1HE LYS 96 1HE LYS 96 43.530 33.396 9.025 840 2HE LYS 96 2HE LYS 96 42.407 34.181 7.915 841 1HZ LYS 96 2HZ LYS 96 42.201 35.955 9.688 842 2HZ LYS 96 3HZ LYS 96 43.579 35.265 10.404 843 3HZ LYS 96 1HZ LYS 96 43.669 35.901 8.835 844 H GLU 97 H GLU 97 40.589 28.833 13.815 845 HA GLU 97 HA GLU 97 38.677 27.421 13.881 846 1HB GLU 97 1HB GLU 97 39.254 28.888 15.991 847 2HB GLU 97 2HB GLU 97 37.642 29.536 15.663 848 1HG GLU 97 1HG GLU 97 36.745 27.246 15.562 849 2HG GLU 97 2HG GLU 97 38.357 26.622 15.922 850 H GLU 98 H GLU 98 37.142 27.084 12.488 851 HA GLU 98 HA GLU 98 34.985 29.099 12.268 852 1HB GLU 98 1HB GLU 98 35.529 29.607 10.172 853 2HB GLU 98 2HB GLU 98 36.834 28.427 10.174 854 1HG GLU 98 1HG GLU 98 35.402 26.695 9.385 855 2HG GLU 98 2HG GLU 98 33.948 27.632 9.737 856 H LEU 99 H LEU 99 33.555 27.932 13.378 857 HA LEU 99 HA LEU 99 33.178 25.138 13.427 858 1HB LEU 99 1HB LEU 99 31.288 25.581 14.621 859 2HB LEU 99 2HB LEU 99 31.947 27.211 14.648 860 HG LEU 99 HG LEU 99 29.756 26.110 12.873 861 1HD1 LEU 99 2HD1 LEU 99 29.659 27.256 15.277 862 2HD1 LEU 99 3HD1 LEU 99 29.715 28.730 14.311 863 3HD1 LEU 99 1HD1 LEU 99 28.413 27.571 14.061 864 1HD2 LEU 99 3HD2 LEU 99 31.760 28.065 12.159 865 2HD2 LEU 99 1HD2 LEU 99 30.385 27.502 11.194 866 3HD2 LEU 99 2HD2 LEU 99 30.192 28.862 12.318 867 H MET 100 H MET 100 31.178 24.025 12.463 868 HA MET 100 HA MET 100 30.696 24.968 9.697 869 1HB MET 100 1HB MET 100 31.758 22.265 10.411 870 2HB MET 100 2HB MET 100 31.457 22.899 8.784 871 1HG MET 100 1HG MET 100 33.036 24.770 9.268 872 2HG MET 100 2HG MET 100 33.423 24.007 10.806 873 1HE MET 100 2HE MET 100 32.936 21.100 9.923 874 2HE MET 100 3HE MET 100 32.419 21.540 8.294 875 3HE MET 100 1HE MET 100 33.819 20.493 8.512 876 H PHE 101 H PHE 101 28.709 24.639 9.070 877 HA PHE 101 HA PHE 101 26.653 23.706 10.682 878 1HB PHE 101 1HB PHE 101 26.680 24.918 8.328 879 2HB PHE 101 2HB PHE 101 26.480 23.270 7.763 880 HD1 PHE 101 HD1 PHE 101 25.056 23.554 10.980 881 HD2 PHE 101 HD2 PHE 101 24.317 24.447 6.854 882 HE1 PHE 101 HE1 PHE 101 22.635 23.646 11.434 883 HE2 PHE 101 HE2 PHE 101 21.880 24.544 7.316 884 HZ PHE 101 HZ PHE 101 21.039 24.130 9.598 885 H PHE 102 H PHE 102 26.045 21.578 11.259 886 HA PHE 102 HA PHE 102 27.210 19.476 9.484 887 1HB PHE 102 1HB PHE 102 27.126 19.697 12.420 888 2HB PHE 102 2HB PHE 102 26.686 18.109 11.774 889 HD1 PHE 102 HD2 PHE 102 28.183 17.188 9.833 890 HD2 PHE 102 HD1 PHE 102 29.390 20.265 12.594 891 HE1 PHE 102 HE2 PHE 102 30.581 16.792 9.254 892 HE2 PHE 102 HE1 PHE 102 31.763 19.873 12.016 893 HZ PHE 102 HZ PHE 102 32.362 18.128 10.338 894 H LEU 103 H LEU 103 25.591 18.933 8.166 895 HA LEU 103 HA LEU 103 22.827 18.789 9.098 896 1HB LEU 103 1HB LEU 103 23.987 17.908 6.469 897 2HB LEU 103 2HB LEU 103 22.302 18.273 6.795 898 HG LEU 103 HG LEU 103 22.833 20.319 5.956 899 1HD1 LEU 103 1HD1 LEU 103 22.752 20.491 8.591 900 2HD1 LEU 103 2HD1 LEU 103 24.449 20.902 8.413 901 3HD1 LEU 103 3HD1 LEU 103 23.216 21.891 7.633 902 1HD2 LEU 103 2HD2 LEU 103 25.176 19.293 5.440 903 2HD2 LEU 103 3HD2 LEU 103 24.996 21.044 5.448 904 3HD2 LEU 103 1HD2 LEU 103 25.700 20.222 6.841 905 H TRP 104 H TRP 104 24.425 17.173 10.549 906 HA TRP 104 HA TRP 104 25.068 14.641 9.938 907 1HB TRP 104 1HB TRP 104 25.108 15.583 12.249 908 2HB TRP 104 2HB TRP 104 23.356 15.373 12.344 909 HD1 TRP 104 HD1 TRP 104 23.391 13.467 14.204 910 HE1 TRP 104 HE1 TRP 104 24.134 11.003 14.116 911 HE3 TRP 104 HE3 TRP 104 26.008 13.423 9.788 912 HZ2 TRP 104 HZ2 TRP 104 25.735 9.258 12.369 913 HZ3 TRP 104 HZ3 TRP 104 27.040 11.435 8.960 914 HH2 TRP 104 HH2 TRP 104 26.921 9.324 10.237 915 H ALA 105 H ALA 105 23.803 13.779 8.199 916 HA ALA 105 HA ALA 105 21.042 12.940 9.006 917 1HB ALA 105 3HB ALA 105 22.017 14.155 6.427 918 2HB ALA 105 1HB ALA 105 20.660 13.031 6.398 919 3HB ALA 105 2HB ALA 105 20.552 14.518 7.337 920 HA PRO 106 HA PRO 106 23.359 9.187 8.132 921 1HB PRO 106 1HB PRO 106 21.740 7.588 9.653 922 2HB PRO 106 2HB PRO 106 23.080 8.527 10.312 923 1HG PRO 106 1HG PRO 106 20.146 9.040 10.505 924 2HG PRO 106 2HG PRO 106 21.446 9.516 11.611 925 1HD PRO 106 1HD PRO 106 20.190 11.198 9.727 926 2HD PRO 106 2HD PRO 106 21.718 11.545 10.568 927 H GLU 107 H GLU 107 22.921 7.487 6.697 928 HA GLU 107 HA GLU 107 20.744 7.846 4.879 929 1HB GLU 107 1HB GLU 107 22.954 5.901 5.238 930 2HB GLU 107 2HB GLU 107 21.545 5.302 4.364 931 1HG GLU 107 1HG GLU 107 21.736 7.598 3.080 932 2HG GLU 107 2HG GLU 107 23.408 7.537 3.637 933 H LEU 108 H LEU 108 20.718 6.464 7.975 934 HA LEU 108 HA LEU 108 18.271 4.932 7.275 935 1HB LEU 108 1HB LEU 108 18.824 3.183 8.719 936 2HB LEU 108 2HB LEU 108 20.323 3.557 7.880 937 HG LEU 108 HG LEU 108 21.051 3.436 10.059 938 1HD1 LEU 108 1HD1 LEU 108 20.252 6.282 9.626 939 2HD1 LEU 108 2HD1 LEU 108 21.181 5.765 11.015 940 3HD1 LEU 108 3HD1 LEU 108 21.826 5.544 9.393 941 1HD2 LEU 108 1HD2 LEU 108 18.338 3.658 10.647 942 2HD2 LEU 108 2HD2 LEU 108 19.636 3.361 11.808 943 3HD2 LEU 108 3HD2 LEU 108 19.090 5.009 11.497 944 H ALA 109 H ALA 109 18.968 7.710 8.576 945 HA ALA 109 HA ALA 109 17.991 7.770 11.214 946 1HB ALA 109 1HB ALA 109 18.684 9.624 9.232 947 2HB ALA 109 2HB ALA 109 17.011 10.033 9.652 948 3HB ALA 109 3HB ALA 109 18.264 9.985 10.911 949 HA PRO 110 HA PRO 110 13.677 7.142 11.037 950 1HB PRO 110 1HB PRO 110 12.425 9.467 11.848 951 2HB PRO 110 2HB PRO 110 13.232 8.321 12.937 952 1HG PRO 110 1HG PRO 110 14.150 10.993 11.997 953 2HG PRO 110 2HG PRO 110 14.574 10.121 13.477 954 1HD PRO 110 1HD PRO 110 16.186 10.350 11.192 955 2HD PRO 110 2HD PRO 110 16.435 9.187 12.508 956 H LEU 111 H LEU 111 14.909 9.226 8.758 957 HA LEU 111 HA LEU 111 14.091 9.637 6.560 958 1HB LEU 111 1HB LEU 111 12.537 7.577 7.284 959 2HB LEU 111 2HB LEU 111 11.310 8.845 7.290 960 HG LEU 111 HG LEU 111 12.208 9.497 4.975 961 1HD1 LEU 111 1HD1 LEU 111 14.032 7.411 5.664 962 2HD1 LEU 111 2HD1 LEU 111 13.070 6.857 4.293 963 3HD1 LEU 111 3HD1 LEU 111 13.980 8.363 4.181 964 1HD2 LEU 111 1HD2 LEU 111 10.096 8.137 5.562 965 2HD2 LEU 111 2HD2 LEU 111 10.714 7.985 3.916 966 3HD2 LEU 111 3HD2 LEU 111 11.034 6.716 5.099 967 H LYS 112 H LYS 112 11.707 10.430 9.109 968 HA LYS 112 HA LYS 112 10.504 12.620 7.880 969 1HB LYS 112 1HB LYS 112 10.472 13.588 10.288 970 2HB LYS 112 2HB LYS 112 9.669 12.042 10.018 971 1HG LYS 112 1HG LYS 112 10.980 11.158 11.628 972 2HG LYS 112 2HG LYS 112 12.365 11.411 10.567 973 1HD LYS 112 1HD LYS 112 11.434 13.824 12.001 974 2HD LYS 112 2HD LYS 112 12.117 12.562 13.027 975 1HE LYS 112 1HE LYS 112 13.957 12.551 11.048 976 2HE LYS 112 2HE LYS 112 13.428 14.235 10.944 977 1HZ LYS 112 1HZ LYS 112 13.896 13.242 13.630 978 2HZ LYS 112 2HZ LYS 112 15.282 13.360 12.654 979 3HZ LYS 112 3HZ LYS 112 14.321 14.730 12.930 980 H SER 113 H SER 113 13.661 12.348 9.386 981 HA SER 113 HA SER 113 14.261 15.202 9.245 982 1HB SER 113 1HB SER 113 15.781 14.443 10.734 983 2HB SER 113 2HB SER 113 15.537 12.769 10.216 984 HG SER 113 HG SER 113 17.008 13.025 8.637 985 H LYS 114 H LYS 114 14.827 12.373 7.331 986 HA LYS 114 HA LYS 114 16.723 13.500 5.501 987 1HB LYS 114 1HB LYS 114 14.754 11.321 4.810 988 2HB LYS 114 2HB LYS 114 16.441 11.485 4.305 989 1HG LYS 114 1HG LYS 114 17.094 11.218 6.744 990 2HG LYS 114 2HG LYS 114 15.418 10.783 7.090 991 1HD LYS 114 1HD LYS 114 16.546 8.710 6.742 992 2HD LYS 114 2HD LYS 114 15.671 9.012 5.240 993 1HE LYS 114 1HE LYS 114 18.023 10.301 4.734 994 2HE LYS 114 2HE LYS 114 18.582 8.970 5.747 995 1HZ LYS 114 3HZ LYS 114 16.829 8.648 3.372 996 2HZ LYS 114 1HZ LYS 114 18.511 8.424 3.358 997 3HZ LYS 114 2HZ LYS 114 17.529 7.407 4.299 998 H MET 115 H MET 115 13.301 13.602 5.853 999 HA MET 115 HA MET 115 12.938 14.950 3.204 1000 1HB MET 115 1HB MET 115 10.686 14.464 5.083 1001 2HB MET 115 2HB MET 115 10.709 14.361 3.318 1002 1HG MET 115 1HG MET 115 12.484 12.346 4.307 1003 2HG MET 115 2HG MET 115 10.974 12.214 5.206 1004 1HE MET 115 1HE MET 115 12.798 12.161 1.855 1005 2HE MET 115 2HE MET 115 12.715 10.592 2.668 1006 3HE MET 115 3HE MET 115 11.942 10.818 1.100 1007 H ILE 116 H ILE 116 13.254 15.608 6.559 1008 HA ILE 116 HA ILE 116 11.520 17.908 6.485 1009 HB ILE 116 HB ILE 116 13.115 16.329 8.405 1010 1HG1 ILE 116 1HG1 ILE 116 10.427 17.720 8.624 1011 2HG1 ILE 116 2HG1 ILE 116 10.656 16.042 8.144 1012 1HG2 ILE 116 3HG2 ILE 116 12.646 19.251 8.595 1013 2HG2 ILE 116 1HG2 ILE 116 12.715 18.266 10.061 1014 3HG2 ILE 116 2HG2 ILE 116 14.086 18.305 8.953 1015 1HD1 ILE 116 2HD1 ILE 116 12.123 16.348 10.526 1016 2HD1 ILE 116 3HD1 ILE 116 10.588 17.172 10.806 1017 3HD1 ILE 116 1HD1 ILE 116 10.603 15.476 10.322 1018 H TYR 117 H TYR 117 14.820 17.201 7.229 1019 HA TYR 117 HA TYR 117 15.894 19.778 7.524 1020 1HB TYR 117 1HB TYR 117 16.875 17.064 6.816 1021 2HB TYR 117 2HB TYR 117 17.988 18.431 6.569 1022 HD1 TYR 117 HD1 TYR 117 17.443 20.239 8.720 1023 HD2 TYR 117 HD2 TYR 117 17.408 15.957 8.792 1024 HE1 TYR 117 HE1 TYR 117 17.872 20.284 11.157 1025 HE2 TYR 117 HE2 TYR 117 17.837 15.997 11.236 1026 HH TYR 117 HH TYR 117 17.459 18.765 13.103 1027 H ALA 118 H ALA 118 14.962 17.921 4.813 1028 HA ALA 118 HA ALA 118 16.204 18.969 2.598 1029 1HB ALA 118 1HB ALA 118 13.554 17.949 3.346 1030 2HB ALA 118 2HB ALA 118 13.542 18.972 1.900 1031 3HB ALA 118 3HB ALA 118 14.562 17.528 1.953 1032 H SER 119 H SER 119 13.424 20.367 4.357 1033 HA SER 119 HA SER 119 13.948 22.983 3.007 1034 1HB SER 119 1HB SER 119 11.541 22.160 4.640 1035 2HB SER 119 2HB SER 119 11.698 23.602 3.642 1036 HG SER 119 HG SER 119 11.864 22.248 1.828 1037 H SER 120 H SER 120 14.605 21.361 5.874 1038 HA SER 120 HA SER 120 14.194 23.575 7.734 1039 1HB SER 120 1HB SER 120 14.662 20.974 8.195 1040 2HB SER 120 2HB SER 120 16.322 21.562 8.270 1041 HG SER 120 HG SER 120 15.272 21.659 10.303 1042 H LYS 121 H LYS 121 16.707 22.541 5.581 1043 HA LYS 121 HA LYS 121 18.569 24.550 6.593 1044 1HB LYS 121 1HB LYS 121 18.762 22.181 5.030 1045 2HB LYS 121 2HB LYS 121 19.478 23.552 4.165 1046 1HG LYS 121 1HG LYS 121 20.962 24.049 5.881 1047 2HG LYS 121 2HG LYS 121 20.015 23.198 7.107 1048 1HD LYS 121 1HD LYS 121 21.588 21.560 6.760 1049 2HD LYS 121 2HD LYS 121 20.561 21.157 5.377 1050 1HE LYS 121 1HE LYS 121 22.207 23.301 4.544 1051 2HE LYS 121 2HE LYS 121 23.270 22.169 5.379 1052 1HZ LYS 121 3HZ LYS 121 21.445 20.769 3.733 1053 2HZ LYS 121 1HZ LYS 121 22.256 21.943 2.815 1054 3HZ LYS 121 2HZ LYS 121 23.144 20.778 3.678 1055 H ASP 122 H ASP 122 17.130 26.046 6.293 1056 HA ASP 122 HA ASP 122 17.394 27.846 4.121 1057 1HB ASP 122 1HB ASP 122 15.659 25.869 3.378 1058 2HB ASP 122 2HB ASP 122 14.553 26.931 4.252 1059 H ALA 123 H ALA 123 15.444 26.424 6.624 1060 HA ALA 123 HA ALA 123 14.453 28.964 7.713 1061 1HB ALA 123 2HB ALA 123 13.669 26.361 7.921 1062 2HB ALA 123 3HB ALA 123 14.612 26.525 9.402 1063 3HB ALA 123 1HB ALA 123 13.232 27.592 9.108 1064 H ILE 124 H ILE 124 16.694 26.416 8.788 1065 HA ILE 124 HA ILE 124 17.957 27.729 10.926 1066 HB ILE 124 HB ILE 124 18.339 25.389 10.377 1067 1HG1 ILE 124 1HG1 ILE 124 21.044 26.341 9.881 1068 2HG1 ILE 124 2HG1 ILE 124 20.232 27.264 11.144 1069 1HG2 ILE 124 3HG2 ILE 124 18.278 25.982 7.865 1070 2HG2 ILE 124 1HG2 ILE 124 20.002 26.319 8.065 1071 3HG2 ILE 124 2HG2 ILE 124 19.378 24.698 8.383 1072 1HD1 ILE 124 3HD1 ILE 124 20.080 24.272 11.142 1073 2HD1 ILE 124 1HD1 ILE 124 21.522 25.075 11.784 1074 3HD1 ILE 124 2HD1 ILE 124 19.930 25.396 12.519 1075 H LYS 125 H LYS 125 18.531 27.773 7.461 1076 HA LYS 125 HA LYS 125 20.953 29.205 7.374 1077 1HB LYS 125 1HB LYS 125 18.680 28.714 5.555 1078 2HB LYS 125 2HB LYS 125 19.593 30.181 5.207 1079 1HG LYS 125 1HG LYS 125 20.517 28.239 3.997 1080 2HG LYS 125 2HG LYS 125 21.677 28.887 5.154 1081 1HD LYS 125 1HD LYS 125 19.912 26.838 6.293 1082 2HD LYS 125 2HD LYS 125 20.931 26.241 4.983 1083 1HE LYS 125 1HE LYS 125 22.303 28.000 6.919 1084 2HE LYS 125 2HE LYS 125 21.767 26.451 7.568 1085 1HZ LYS 125 3HZ LYS 125 23.363 26.785 5.089 1086 2HZ LYS 125 1HZ LYS 125 24.005 26.356 6.600 1087 3HZ LYS 125 2HZ LYS 125 22.917 25.315 5.814 1088 H LYS 126 H LYS 126 17.616 30.381 7.666 1089 HA LYS 126 HA LYS 126 18.160 33.168 7.418 1090 1HB LYS 126 1HB LYS 126 15.942 31.526 8.201 1091 2HB LYS 126 2HB LYS 126 16.123 32.833 9.372 1092 1HG LYS 126 1HG LYS 126 16.348 34.393 7.334 1093 2HG LYS 126 2HG LYS 126 15.717 33.044 6.388 1094 1HD LYS 126 1HD LYS 126 14.364 34.454 8.699 1095 2HD LYS 126 2HD LYS 126 13.833 34.402 7.018 1096 1HE LYS 126 1HE LYS 126 13.423 32.011 7.167 1097 2HE LYS 126 2HE LYS 126 14.092 31.962 8.798 1098 1HZ LYS 126 3HZ LYS 126 11.782 33.667 8.081 1099 2HZ LYS 126 1HZ LYS 126 11.597 32.065 8.614 1100 3HZ LYS 126 2HZ LYS 126 12.315 33.223 9.629 1101 H LYS 127 H LYS 127 18.823 30.949 9.948 1102 HA LYS 127 HA LYS 127 19.640 33.179 11.748 1103 1HB LYS 127 1HB LYS 127 19.104 30.293 12.499 1104 2HB LYS 127 2HB LYS 127 19.404 31.634 13.603 1105 1HG LYS 127 1HG LYS 127 17.043 31.441 11.709 1106 2HG LYS 127 2HG LYS 127 16.982 31.095 13.437 1107 1HD LYS 127 1HD LYS 127 17.029 33.299 14.010 1108 2HD LYS 127 2HD LYS 127 18.181 33.705 12.738 1109 1HE LYS 127 1HE LYS 127 15.955 34.746 12.350 1110 2HE LYS 127 2HE LYS 127 16.400 33.630 11.059 1111 1HZ LYS 127 3HZ LYS 127 15.145 31.916 12.478 1112 2HZ LYS 127 1HZ LYS 127 14.434 33.267 13.223 1113 3HZ LYS 127 2HZ LYS 127 14.245 33.022 11.556 1114 H PHE 128 H PHE 128 20.704 30.730 9.689 1115 HA PHE 128 HA PHE 128 23.336 30.471 11.074 1116 1HB PHE 128 1HB PHE 128 21.835 28.804 9.114 1117 2HB PHE 128 2HB PHE 128 23.598 28.835 8.975 1118 HD1 PHE 128 HD2 PHE 128 21.932 29.613 12.082 1119 HD2 PHE 128 HD1 PHE 128 23.860 26.478 9.848 1120 HE1 PHE 128 HE2 PHE 128 22.121 28.265 14.140 1121 HE2 PHE 128 HE1 PHE 128 24.052 25.140 11.954 1122 HZ PHE 128 HZ PHE 128 23.175 26.026 14.082 1123 H GLN 129 H GLN 129 22.419 32.814 9.970 1124 HA GLN 129 HA GLN 129 22.916 33.883 7.602 1125 1HB GLN 129 1HB GLN 129 24.688 34.834 9.843 1126 2HB GLN 129 2HB GLN 129 23.911 35.795 8.586 1127 1HG GLN 129 1HG GLN 129 22.447 34.274 10.760 1128 2HG GLN 129 2HG GLN 129 22.764 36.006 10.782 1129 1HE2 GLN 129 2HE2 GLN 129 19.980 34.546 8.134 1130 2HE2 GLN 129 1HE2 GLN 129 21.144 33.493 8.777 1131 H GLY 130 H GLY 130 25.745 33.145 9.641 1132 1HA GLY 130 1HA GLY 130 27.269 32.552 7.135 1133 2HA GLY 130 2HA GLY 130 28.008 33.279 8.565 1134 H ILE 131 H ILE 131 26.456 30.310 7.373 1135 HA ILE 131 HA ILE 131 26.826 28.733 9.659 1136 HB ILE 131 HB ILE 131 26.071 28.356 6.930 1137 1HG1 ILE 131 1HG1 ILE 131 24.593 27.505 8.504 1138 2HG1 ILE 131 2HG1 ILE 131 25.400 26.070 7.878 1139 1HG2 ILE 131 2HG2 ILE 131 28.361 27.413 6.749 1140 2HG2 ILE 131 3HG2 ILE 131 27.900 26.249 8.006 1141 3HG2 ILE 131 1HG2 ILE 131 27.069 26.245 6.450 1142 1HD1 ILE 131 3HD1 ILE 131 27.141 26.542 9.748 1143 2HD1 ILE 131 1HD1 ILE 131 25.808 27.486 10.477 1144 3HD1 ILE 131 2HD1 ILE 131 25.601 25.754 10.176 1145 H LYS 132 H LYS 132 28.958 29.796 7.214 1146 HA LYS 132 HA LYS 132 31.331 29.814 7.236 1147 1HB LYS 132 1HB LYS 132 31.336 27.750 9.435 1148 2HB LYS 132 2HB LYS 132 32.575 28.937 9.035 1149 1HG LYS 132 1HG LYS 132 29.939 29.376 10.404 1150 2HG LYS 132 2HG LYS 132 31.547 29.806 10.972 1151 1HD LYS 132 1HD LYS 132 30.158 31.038 8.581 1152 2HD LYS 132 2HD LYS 132 30.314 31.795 10.164 1153 1HE LYS 132 1HE LYS 132 32.742 31.801 9.972 1154 2HE LYS 132 2HE LYS 132 32.652 30.912 8.450 1155 1HZ LYS 132 2HZ LYS 132 31.011 33.064 8.086 1156 2HZ LYS 132 3HZ LYS 132 32.334 33.706 8.937 1157 3HZ LYS 132 1HZ LYS 132 32.580 32.886 7.470 1158 H HIS 133 H HIS 133 29.692 26.740 8.037 1159 HA HIS 133 HA HIS 133 30.788 25.717 5.445 1160 1HB HIS 133 1HB HIS 133 31.657 24.747 8.108 1161 2HB HIS 133 2HB HIS 133 31.493 23.580 6.794 1162 HD1 HIS 133 HD1 HIS 133 32.362 25.488 4.465 1163 HD2 HIS 133 HD2 HIS 133 34.418 25.047 8.054 1164 HE1 HIS 133 HE1 HIS 133 34.745 26.202 4.006 1165 H GLU 134 H GLU 134 28.665 25.281 4.692 1166 HA GLU 134 HA GLU 134 26.939 23.606 6.297 1167 1HB GLU 134 1HB GLU 134 25.491 24.586 4.939 1168 2HB GLU 134 2HB GLU 134 26.726 25.009 3.763 1169 1HG GLU 134 1HG GLU 134 25.931 22.144 3.946 1170 2HG GLU 134 2HG GLU 134 24.771 23.255 3.230 1171 H CYS 135 H CYS 135 27.637 21.658 6.651 1172 HA CYS 135 HA CYS 135 28.807 20.049 4.396 1173 1HB CYS 135 1HB CYS 135 30.318 20.738 6.457 1174 2HB CYS 135 2HB CYS 135 29.482 19.406 7.253 1175 HG CYS 135 HG CYS 135 31.468 18.276 6.090 1176 H GLN 136 H GLN 136 27.336 18.481 3.816 1177 HA GLN 136 HA GLN 136 25.509 17.447 5.879 1178 1HB GLN 136 1HB GLN 136 25.294 17.807 3.074 1179 2HB GLN 136 2HB GLN 136 25.203 16.070 3.380 1180 1HG GLN 136 1HG GLN 136 23.591 16.723 5.304 1181 2HG GLN 136 2HG GLN 136 23.444 18.264 4.460 1182 1HE2 GLN 136 2HE2 GLN 136 20.715 16.304 3.093 1183 2HE2 GLN 136 1HE2 GLN 136 21.104 17.252 4.447 1184 H ALA 137 H ALA 137 25.665 15.485 6.804 1185 HA ALA 137 HA ALA 137 27.839 13.693 5.830 1186 1HB ALA 137 2HB ALA 137 27.001 14.429 8.615 1187 2HB ALA 137 3HB ALA 137 27.849 12.922 8.288 1188 3HB ALA 137 1HB ALA 137 28.614 14.459 7.905 1189 H ASN 138 H ASN 138 26.873 12.118 4.788 1190 HA ASN 138 HA ASN 138 24.431 10.902 5.966 1191 1HB ASN 138 1HB ASN 138 25.541 10.373 3.221 1192 2HB ASN 138 2HB ASN 138 23.907 10.045 3.814 1193 1HD2 ASN 138 2HD2 ASN 138 23.728 13.944 4.077 1194 2HD2 ASN 138 1HD2 ASN 138 24.062 12.797 5.287 1195 H GLY 139 H GLY 139 26.547 10.609 7.268 1196 1HA GLY 139 1HA GLY 139 27.021 8.045 7.977 1197 2HA GLY 139 2HA GLY 139 28.190 8.304 6.648 1198 HA PRO 140 HA PRO 140 29.209 10.886 10.474 1199 1HB PRO 140 1HB PRO 140 30.743 9.122 11.982 1200 2HB PRO 140 2HB PRO 140 29.025 9.453 12.276 1201 1HG PRO 140 1HG PRO 140 30.290 7.071 10.992 1202 2HG PRO 140 2HG PRO 140 28.775 7.183 11.904 1203 1HD PRO 140 1HD PRO 140 28.953 7.054 9.097 1204 2HD PRO 140 2HD PRO 140 27.534 7.629 9.995 1205 H GLU 141 H GLU 141 30.451 9.005 8.050 1206 HA GLU 141 HA GLU 141 33.326 9.575 8.264 1207 1HB GLU 141 1HB GLU 141 31.864 8.390 5.920 1208 2HB GLU 141 2HB GLU 141 33.486 8.000 6.539 1209 1HG GLU 141 1HG GLU 141 31.944 7.548 8.717 1210 2HG GLU 141 2HG GLU 141 30.842 7.076 7.427 1211 H ASP 142 H ASP 142 30.472 10.977 6.885 1212 HA ASP 142 HA ASP 142 31.882 12.375 4.753 1213 1HB ASP 142 1HB ASP 142 29.190 12.166 5.633 1214 2HB ASP 142 2HB ASP 142 29.641 13.867 5.791 1215 H LEU 143 H LEU 143 31.745 12.408 8.139 1216 HA LEU 143 HA LEU 143 32.599 15.224 8.455 1217 1HB LEU 143 1HB LEU 143 32.271 12.966 10.426 1218 2HB LEU 143 2HB LEU 143 32.627 14.645 10.850 1219 HG LEU 143 HG LEU 143 30.469 14.962 9.223 1220 1HD1 LEU 143 1HD1 LEU 143 30.450 12.215 10.336 1221 2HD1 LEU 143 2HD1 LEU 143 28.932 13.109 10.425 1222 3HD1 LEU 143 3HD1 LEU 143 29.708 12.839 8.864 1223 1HD2 LEU 143 1HD2 LEU 143 30.922 15.843 11.553 1224 2HD2 LEU 143 2HD2 LEU 143 29.239 15.424 11.236 1225 3HD2 LEU 143 3HD2 LEU 143 30.256 14.333 12.177 1226 H ASN 144 H ASN 144 33.807 12.348 7.610 1227 HA ASN 144 HA ASN 144 35.869 11.182 8.189 1228 1HB ASN 144 1HB ASN 144 35.408 11.822 5.842 1229 2HB ASN 144 2HB ASN 144 36.260 13.337 6.131 1230 1HD2 ASN 144 2HD2 ASN 144 38.841 10.346 6.806 1231 2HD2 ASN 144 1HD2 ASN 144 37.463 10.547 7.778 1232 H ARG 145 H ARG 145 36.616 14.535 7.500 1233 HA ARG 145 HA ARG 145 37.787 15.950 9.215 1234 1HB ARG 145 1HB ARG 145 38.641 13.570 10.225 1235 2HB ARG 145 2HB ARG 145 40.018 14.011 9.254 1236 1HG ARG 145 1HG ARG 145 38.934 16.217 10.866 1237 2HG ARG 145 2HG ARG 145 39.570 14.878 11.828 1238 1HD ARG 145 1HD ARG 145 41.422 15.216 9.760 1239 2HD ARG 145 2HD ARG 145 41.015 16.855 10.264 1240 HE ARG 145 HE ARG 145 41.744 16.249 12.545 1241 1HH1 ARG 145 1HH2 ARG 145 41.801 13.521 10.525 1242 2HH1 ARG 145 2HH2 ARG 145 43.297 12.900 11.138 1243 1HH2 ARG 145 1HH1 ARG 145 43.935 15.663 13.131 1244 2HH2 ARG 145 2HH1 ARG 145 44.504 14.111 12.613 1245 H ALA 146 H ALA 146 39.244 13.562 7.078 1246 HA ALA 146 HA ALA 146 41.050 15.353 5.709 1247 1HB ALA 146 1HB ALA 146 40.947 12.710 5.746 1248 2HB ALA 146 2HB ALA 146 39.751 12.941 4.460 1249 3HB ALA 146 3HB ALA 146 41.411 13.528 4.250 1250 H CYS 147 H CYS 147 37.792 14.188 5.527 1251 HA CYS 147 HA CYS 147 37.088 15.521 3.018 1252 1HB CYS 147 1HB CYS 147 36.013 13.503 4.353 1253 2HB CYS 147 2HB CYS 147 35.081 14.838 5.055 1254 HG CYS 147 HG CYS 147 35.014 15.197 2.104 1255 H ILE 148 H ILE 148 36.792 16.154 6.473 1256 HA ILE 148 HA ILE 148 35.374 18.598 6.030 1257 HB ILE 148 HB ILE 148 37.219 17.691 8.249 1258 1HG1 ILE 148 1HG1 ILE 148 35.520 16.202 8.543 1259 2HG1 ILE 148 2HG1 ILE 148 34.657 17.585 9.222 1260 1HG2 ILE 148 2HG2 ILE 148 35.447 20.014 7.744 1261 2HG2 ILE 148 3HG2 ILE 148 35.714 19.468 9.405 1262 3HG2 ILE 148 1HG2 ILE 148 37.077 19.959 8.394 1263 1HD1 ILE 148 1HD1 ILE 148 33.814 18.061 6.876 1264 2HD1 ILE 148 2HD1 ILE 148 34.528 16.509 6.390 1265 3HD1 ILE 148 3HD1 ILE 148 33.219 16.551 7.584 1266 H ALA 149 H ALA 149 38.448 17.326 5.664 1267 HA ALA 149 HA ALA 149 39.915 19.877 5.406 1268 1HB ALA 149 1HB ALA 149 40.714 16.991 5.101 1269 2HB ALA 149 2HB ALA 149 41.821 18.346 4.959 1270 3HB ALA 149 3HB ALA 149 41.033 18.000 6.498 1271 H GLU 150 H GLU 150 37.757 19.044 3.783 1272 HA GLU 150 HA GLU 150 38.905 19.307 1.077 1273 1HB GLU 150 1HB GLU 150 36.733 17.422 2.035 1274 2HB GLU 150 2HB GLU 150 36.926 17.884 0.341 1275 1HG GLU 150 1HG GLU 150 39.482 17.215 1.080 1276 2HG GLU 150 2HG GLU 150 38.506 16.058 1.976 1277 H LYS 151 H LYS 151 36.194 19.457 3.274 1278 HA LYS 151 HA LYS 151 34.592 21.328 1.768 1279 1HB LYS 151 1HB LYS 151 33.168 20.656 3.404 1280 2HB LYS 151 2HB LYS 151 34.495 19.888 4.280 1281 1HG LYS 151 1HG LYS 151 35.009 21.873 5.455 1282 2HG LYS 151 2HG LYS 151 34.028 22.863 4.372 1283 1HD LYS 151 1HD LYS 151 32.911 20.675 6.155 1284 2HD LYS 151 2HD LYS 151 32.901 22.396 6.571 1285 1HE LYS 151 1HE LYS 151 31.286 20.932 4.543 1286 2HE LYS 151 2HE LYS 151 30.837 22.295 5.567 1287 1HZ LYS 151 1HZ LYS 151 32.367 23.660 4.162 1288 2HZ LYS 151 2HZ LYS 151 32.477 22.345 3.097 1289 3HZ LYS 151 3HZ LYS 151 30.981 23.101 3.367 1290 H LEU 152 H LEU 152 37.299 21.317 3.885 1291 HA LEU 152 HA LEU 152 37.573 24.294 3.739 1292 1HB LEU 152 1HB LEU 152 38.842 22.357 5.712 1293 2HB LEU 152 2HB LEU 152 39.034 24.105 5.711 1294 HG LEU 152 HG LEU 152 36.231 23.448 5.772 1295 1HD1 LEU 152 1HD1 LEU 152 37.988 21.661 7.228 1296 2HD1 LEU 152 2HD1 LEU 152 37.008 22.600 8.358 1297 3HD1 LEU 152 3HD1 LEU 152 36.227 21.621 7.115 1298 1HD2 LEU 152 2HD2 LEU 152 38.149 24.706 7.766 1299 2HD2 LEU 152 3HD2 LEU 152 37.262 25.565 6.507 1300 3HD2 LEU 152 1HD2 LEU 152 36.389 24.815 7.844 1301 H GLY 153 H GLY 153 39.104 21.102 3.659 1302 1HA GLY 153 1HA GLY 153 41.608 22.182 2.557 1303 2HA GLY 153 2HA GLY 153 41.303 20.527 3.028 1304 H GLY 154 H GLY 154 38.872 21.920 1.225 1305 1HA GLY 154 1HA GLY 154 39.845 20.510 -1.237 1306 2HA GLY 154 2HA GLY 154 38.137 20.755 -0.865 1307 H SER 155 H SER 155 40.247 23.331 -0.048 1308 HA SER 155 HA SER 155 39.843 24.738 -2.605 1309 1HB SER 155 1HB SER 155 38.469 25.456 -0.033 1310 2HB SER 155 2HB SER 155 38.904 26.715 -1.185 1311 HG SER 155 HG SER 155 36.779 25.278 -1.268 1312 H LEU 156 H LEU 156 40.588 25.865 0.759 1313 HA LEU 156 HA LEU 156 43.365 26.309 -0.064 1314 1HB LEU 156 1HB LEU 156 42.339 28.824 0.865 1315 2HB LEU 156 2HB LEU 156 43.245 28.470 -0.601 1316 HG LEU 156 HG LEU 156 40.364 27.690 -0.509 1317 1HD1 LEU 156 1HD1 LEU 156 41.425 30.500 -0.621 1318 2HD1 LEU 156 2HD1 LEU 156 39.919 30.067 -1.433 1319 3HD1 LEU 156 3HD1 LEU 156 40.071 29.867 0.313 1320 1HD2 LEU 156 3HD2 LEU 156 42.472 27.966 -2.443 1321 2HD2 LEU 156 1HD2 LEU 156 40.847 27.313 -2.675 1322 3HD2 LEU 156 2HD2 LEU 156 41.147 29.044 -2.879 1323 H ILE 157 H ILE 157 43.028 24.767 2.128 1324 HA ILE 157 HA ILE 157 43.332 26.749 4.320 1325 HB ILE 157 HB ILE 157 42.869 24.893 5.878 1326 1HG1 ILE 157 1HG1 ILE 157 42.084 23.432 3.359 1327 2HG1 ILE 157 2HG1 ILE 157 43.527 23.050 4.323 1328 1HG2 ILE 157 1HG2 ILE 157 41.041 26.154 3.990 1329 2HG2 ILE 157 2HG2 ILE 157 40.416 24.631 4.618 1330 3HG2 ILE 157 3HG2 ILE 157 40.875 25.917 5.729 1331 1HD1 ILE 157 3HD1 ILE 157 41.638 23.210 6.241 1332 2HD1 ILE 157 1HD1 ILE 157 40.691 22.557 4.892 1333 3HD1 ILE 157 2HD1 ILE 157 42.122 21.700 5.458 1334 H VAL 158 H VAL 158 44.560 24.397 5.839 1335 HA VAL 158 HA VAL 158 47.094 23.936 4.513 1336 HB VAL 158 HB VAL 158 46.782 25.978 6.699 1337 1HG1 VAL 158 2HG1 VAL 158 48.838 23.892 6.514 1338 2HG1 VAL 158 3HG1 VAL 158 49.501 25.525 6.553 1339 3HG1 VAL 158 1HG1 VAL 158 48.447 24.970 7.855 1340 1HG2 VAL 158 3HG2 VAL 158 48.303 25.761 4.095 1341 2HG2 VAL 158 1HG2 VAL 158 47.035 26.911 4.521 1342 3HG2 VAL 158 2HG2 VAL 158 48.627 27.038 5.268 1343 H ALA 159 H ALA 159 45.066 23.870 7.334 1344 HA ALA 159 HA ALA 159 46.307 21.302 8.187 1345 1HB ALA 159 3HB ALA 159 44.981 23.498 9.756 1346 2HB ALA 159 1HB ALA 159 45.195 21.873 10.404 1347 3HB ALA 159 2HB ALA 159 46.602 22.842 9.973 1348 H PHE 160 H PHE 160 44.916 19.703 8.777 1349 HA PHE 160 HA PHE 160 42.859 18.513 8.867 1350 1HB PHE 160 1HB PHE 160 41.809 21.151 8.325 1351 2HB PHE 160 2HB PHE 160 41.121 20.000 7.176 1352 HD1 PHE 160 HD1 PHE 160 42.357 19.520 10.619 1353 HD2 PHE 160 HD2 PHE 160 38.966 19.492 8.012 1354 HE1 PHE 160 HE1 PHE 160 40.966 18.584 12.458 1355 HE2 PHE 160 HE2 PHE 160 37.562 18.560 9.845 1356 HZ PHE 160 HZ PHE 160 38.560 18.105 12.061 1357 H GLU 161 H GLU 161 43.702 20.520 6.170 1358 HA GLU 161 HA GLU 161 43.644 18.246 4.284 1359 1HB GLU 161 1HB GLU 161 42.780 20.779 3.919 1360 2HB GLU 161 2HB GLU 161 44.466 20.997 3.474 1361 1HG GLU 161 1HG GLU 161 43.837 18.666 2.159 1362 2HG GLU 161 2HG GLU 161 42.334 19.576 2.032 1363 H GLY 162 H GLY 162 45.708 20.224 6.297 1364 1HA GLY 162 1HA GLY 162 48.052 19.036 4.848 1365 2HA GLY 162 2HA GLY 162 48.078 20.690 5.411 1366 H CYS 163 H CYS 163 48.009 20.980 7.878 1367 HA CYS 163 HA CYS 163 50.032 19.485 9.054 1368 1HB CYS 163 1HB CYS 163 49.707 21.543 10.039 1369 2HB CYS 163 2HB CYS 163 47.985 21.288 10.260 1370 HG CYS 163 HG CYS 163 48.703 20.630 12.568 1371 HA PRO 164 HA PRO 164 47.280 16.719 11.692 1372 1HB PRO 164 1HB PRO 164 44.550 17.082 11.523 1373 2HB PRO 164 2HB PRO 164 45.578 17.845 12.752 1374 1HG PRO 164 1HG PRO 164 44.387 19.027 10.278 1375 2HG PRO 164 2HG PRO 164 44.750 19.805 11.826 1376 1HD PRO 164 1HD PRO 164 46.379 20.093 9.572 1377 2HD PRO 164 2HD PRO 164 46.929 20.276 11.239 1378 H VAL 165 H VAL 165 45.806 17.717 8.629 1379 HA VAL 165 HA VAL 165 46.190 14.981 7.609 1380 HB VAL 165 HB VAL 165 43.563 15.235 6.841 1381 1HG1 VAL 165 3HG1 VAL 165 44.857 13.264 7.830 1382 2HG1 VAL 165 1HG1 VAL 165 44.416 13.895 9.417 1383 3HG1 VAL 165 2HG1 VAL 165 43.158 13.381 8.291 1384 1HG2 VAL 165 3HG2 VAL 165 43.781 17.091 8.875 1385 2HG2 VAL 165 1HG2 VAL 165 42.285 16.303 8.382 1386 3HG2 VAL 165 2HG2 VAL 165 43.224 15.658 9.729 No H/Q in entry = 1386 Start of MODEL 4 1 1H THR -8 1H THR -8 7.235 26.443 -8.195 2 2H THR -8 2H THR -8 8.245 25.906 -9.451 3 3H THR -8 3H THR -8 7.191 24.819 -8.680 4 HA THR -8 HA THR -8 9.399 24.438 -7.871 5 HB THR -8 HB THR -8 10.588 26.412 -8.228 6 HG1 THR -8 HG1 THR -8 10.561 25.562 -5.905 7 1HG2 THR -8 1HG2 THR -8 8.191 27.792 -7.017 8 2HG2 THR -8 2HG2 THR -8 9.712 28.634 -7.315 9 3HG2 THR -8 3HG2 THR -8 8.811 27.936 -8.662 10 H MET -7 H MET -7 9.356 23.459 -5.875 11 HA MET -7 HA MET -7 8.626 22.915 -3.710 12 1HB MET -7 1HB MET -7 8.438 25.817 -3.859 13 2HB MET -7 2HB MET -7 7.178 25.142 -2.825 14 1HG MET -7 1HG MET -7 8.677 24.727 -1.202 15 2HG MET -7 2HG MET -7 9.655 23.769 -2.315 16 1HE MET -7 2HE MET -7 10.842 24.693 -0.265 17 2HE MET -7 3HE MET -7 12.340 25.136 -1.094 18 3HE MET -7 1HE MET -7 11.506 26.315 -0.084 19 H ILE -6 H ILE -6 6.779 21.884 -2.947 20 HA ILE -6 HA ILE -6 4.313 22.292 -4.582 21 HB ILE -6 HB ILE -6 4.445 19.922 -2.834 22 1HG1 ILE -6 1HG1 ILE -6 5.978 18.902 -4.777 23 2HG1 ILE -6 2HG1 ILE -6 6.602 20.552 -4.805 24 1HG2 ILE -6 1HG2 ILE -6 2.745 20.412 -4.637 25 2HG2 ILE -6 2HG2 ILE -6 4.030 20.197 -5.825 26 3HG2 ILE -6 3HG2 ILE -6 3.541 18.848 -4.799 27 1HD1 ILE -6 1HD1 ILE -6 6.403 19.891 -2.082 28 2HD1 ILE -6 2HD1 ILE -6 7.074 18.457 -2.857 29 3HD1 ILE -6 3HD1 ILE -6 7.884 20.014 -3.033 30 H THR -5 H THR -5 2.342 21.340 -3.042 31 HA THR -5 HA THR -5 2.565 22.536 -0.335 32 HB THR -5 HB THR -5 1.652 24.444 -1.273 33 HG1 THR -5 HG1 THR -5 -0.220 24.387 -0.346 34 1HG2 THR -5 3HG2 THR -5 0.864 22.544 -3.401 35 2HG2 THR -5 1HG2 THR -5 -0.214 23.925 -3.188 36 3HG2 THR -5 2HG2 THR -5 1.495 24.186 -3.534 37 HA PRO -4 HA PRO -4 0.228 18.612 -0.360 38 1HB PRO -4 1HB PRO -4 1.518 17.632 1.864 39 2HB PRO -4 2HB PRO -4 2.116 17.430 0.207 40 1HG PRO -4 1HG PRO -4 3.105 19.251 2.352 41 2HG PRO -4 2HG PRO -4 3.981 18.551 0.981 42 1HD PRO -4 1HD PRO -4 3.009 21.202 1.138 43 2HD PRO -4 2HD PRO -4 3.573 20.382 -0.335 44 H SER -3 H SER -3 1.119 19.080 2.996 45 HA SER -3 HA SER -3 -1.630 20.118 3.552 46 1HB SER -3 1HB SER -3 -0.153 18.054 5.206 47 2HB SER -3 2HB SER -3 -1.791 18.643 5.474 48 HG SER -3 HG SER -3 -2.368 17.108 4.169 49 H SER -2 H SER -2 1.094 21.424 3.426 50 HA SER -2 HA SER -2 2.368 22.932 4.706 51 1HB SER -2 1HB SER -2 -0.444 23.311 5.331 52 2HB SER -2 2HB SER -2 0.573 23.728 6.707 53 HG SER -2 HG SER -2 0.693 25.534 5.569 54 H GLY -1 H GLY -1 3.659 21.120 5.569 55 1HA GLY -1 1HA GLY -1 3.667 21.135 8.479 56 2HA GLY -1 2HA GLY -1 3.180 19.573 7.817 57 H ASN 0 H ASN 0 5.099 18.495 8.507 58 HA ASN 0 HA ASN 0 7.627 19.507 7.294 59 1HB ASN 0 1HB ASN 0 8.334 17.324 8.844 60 2HB ASN 0 2HB ASN 0 8.440 19.012 9.347 61 1HD2 ASN 0 2HD2 ASN 0 5.422 16.646 10.808 62 2HD2 ASN 0 1HD2 ASN 0 6.329 16.125 9.471 63 H SER 1 H SER 1 5.181 17.616 6.355 64 HA SER 1 HA SER 1 6.417 15.157 5.553 65 1HB SER 1 1HB SER 1 4.256 16.668 4.055 66 2HB SER 1 2HB SER 1 4.579 14.937 3.992 67 HG SER 1 HG SER 1 4.136 16.062 6.496 68 H ALA 2 H ALA 2 6.125 18.342 4.047 69 HA ALA 2 HA ALA 2 8.134 17.514 1.996 70 1HB ALA 2 3HB ALA 2 5.816 18.572 1.359 71 2HB ALA 2 1HB ALA 2 6.556 20.080 1.895 72 3HB ALA 2 2HB ALA 2 7.272 19.170 0.563 73 H SER 3 H SER 3 8.375 18.354 4.904 74 HA SER 3 HA SER 3 10.131 19.411 6.072 75 1HB SER 3 1HB SER 3 10.734 21.043 3.626 76 2HB SER 3 2HB SER 3 11.822 20.574 4.934 77 HG SER 3 HG SER 3 10.988 19.173 2.689 78 H GLY 4 H GLY 4 9.219 20.788 7.529 79 1HA GLY 4 1HA GLY 4 8.269 23.422 6.512 80 2HA GLY 4 2HA GLY 4 7.211 22.479 7.563 81 H VAL 5 H VAL 5 10.517 22.084 8.263 82 HA VAL 5 HA VAL 5 10.456 22.852 10.918 83 HB VAL 5 HB VAL 5 12.799 23.691 9.283 84 1HG1 VAL 5 1HG1 VAL 5 12.171 23.248 11.998 85 2HG1 VAL 5 2HG1 VAL 5 13.471 22.153 11.514 86 3HG1 VAL 5 3HG1 VAL 5 13.653 23.892 11.295 87 1HG2 VAL 5 2HG2 VAL 5 11.624 20.969 9.518 88 2HG2 VAL 5 3HG2 VAL 5 12.691 21.618 8.269 89 3HG2 VAL 5 1HG2 VAL 5 13.364 21.081 9.808 90 H GLN 6 H GLN 6 10.974 24.678 12.033 91 HA GLN 6 HA GLN 6 10.770 27.233 10.567 92 1HB GLN 6 1HB GLN 6 9.545 27.110 13.254 93 2HB GLN 6 2HB GLN 6 8.985 27.944 11.803 94 1HG GLN 6 1HG GLN 6 7.631 26.211 11.303 95 2HG GLN 6 2HG GLN 6 9.018 25.121 11.343 96 1HE2 GLN 6 2HE2 GLN 6 8.589 24.147 14.696 97 2HE2 GLN 6 1HE2 GLN 6 9.774 24.531 13.550 98 H VAL 7 H VAL 7 12.891 25.528 12.037 99 HA VAL 7 HA VAL 7 14.756 25.957 13.482 100 HB VAL 7 HB VAL 7 15.829 27.278 12.067 101 1HG1 VAL 7 1HG1 VAL 7 13.630 27.551 10.808 102 2HG1 VAL 7 2HG1 VAL 7 13.450 29.087 11.656 103 3HG1 VAL 7 3HG1 VAL 7 14.820 28.832 10.576 104 1HG2 VAL 7 3HG2 VAL 7 14.653 29.381 13.899 105 2HG2 VAL 7 1HG2 VAL 7 16.244 28.631 13.986 106 3HG2 VAL 7 2HG2 VAL 7 15.869 29.753 12.686 107 H ALA 8 H ALA 8 14.871 25.994 15.400 108 HA ALA 8 HA ALA 8 13.117 26.962 17.352 109 1HB ALA 8 2HB ALA 8 15.704 25.720 17.095 110 2HB ALA 8 3HB ALA 8 15.757 26.905 18.402 111 3HB ALA 8 1HB ALA 8 14.568 25.593 18.444 112 H ASP 9 H ASP 9 15.752 28.491 15.693 113 HA ASP 9 HA ASP 9 16.228 30.826 15.542 114 1HB ASP 9 1HB ASP 9 14.879 31.228 18.206 115 2HB ASP 9 2HB ASP 9 15.252 32.424 16.966 116 H GLU 10 H GLU 10 16.566 28.608 18.125 117 HA GLU 10 HA GLU 10 18.596 29.976 19.623 118 1HB GLU 10 1HB GLU 10 18.049 28.194 20.927 119 2HB GLU 10 2HB GLU 10 17.331 27.337 19.568 120 1HG GLU 10 1HG GLU 10 19.155 25.987 20.285 121 2HG GLU 10 2HG GLU 10 19.724 26.795 18.828 122 H VAL 11 H VAL 11 18.405 28.562 16.525 123 HA VAL 11 HA VAL 11 21.141 27.716 16.272 124 HB VAL 11 HB VAL 11 20.671 28.047 13.762 125 1HG1 VAL 11 1HG1 VAL 11 20.612 25.885 14.938 126 2HG1 VAL 11 2HG1 VAL 11 18.952 26.196 15.432 127 3HG1 VAL 11 3HG1 VAL 11 19.342 25.977 13.723 128 1HG2 VAL 11 2HG2 VAL 11 18.780 29.666 14.309 129 2HG2 VAL 11 3HG2 VAL 11 18.391 28.401 13.137 130 3HG2 VAL 11 1HG2 VAL 11 17.842 28.251 14.806 131 H CYS 12 H CYS 12 19.523 30.768 16.116 132 HA CYS 12 HA CYS 12 21.818 32.058 14.830 133 1HB CYS 12 1HB CYS 12 19.201 32.816 15.257 134 2HB CYS 12 2HB CYS 12 20.049 33.733 16.501 135 HG CYS 12 HG CYS 12 19.996 34.581 13.703 136 H ARG 13 H ARG 13 21.628 30.433 17.562 137 HA ARG 13 HA ARG 13 23.370 32.272 19.131 138 1HB ARG 13 1HB ARG 13 21.528 30.109 20.207 139 2HB ARG 13 2HB ARG 13 22.540 31.197 21.160 140 1HG ARG 13 1HG ARG 13 20.386 32.190 19.277 141 2HG ARG 13 2HG ARG 13 20.088 31.868 20.985 142 1HD ARG 13 1HD ARG 13 22.494 33.467 20.587 143 2HD ARG 13 2HD ARG 13 21.065 34.249 19.910 144 HE ARG 13 HE ARG 13 20.092 33.611 22.315 145 1HH1 ARG 13 1HH1 ARG 13 23.393 33.531 22.314 146 2HH1 ARG 13 2HH1 ARG 13 23.629 34.841 23.422 147 1HH2 ARG 13 1HH2 ARG 13 20.307 35.834 23.365 148 2HH2 ARG 13 2HH2 ARG 13 21.881 36.147 24.017 149 H ILE 14 H ILE 14 23.217 29.628 17.172 150 HA ILE 14 HA ILE 14 25.268 28.161 18.689 151 HB ILE 14 HB ILE 14 24.105 27.391 16.028 152 1HG1 ILE 14 1HG1 ILE 14 23.003 26.315 18.602 153 2HG1 ILE 14 2HG1 ILE 14 22.288 27.718 17.791 154 1HG2 ILE 14 2HG2 ILE 14 26.169 26.277 17.013 155 2HG2 ILE 14 3HG2 ILE 14 25.114 25.665 18.289 156 3HG2 ILE 14 1HG2 ILE 14 24.825 25.170 16.620 157 1HD1 ILE 14 1HD1 ILE 14 22.214 26.396 15.673 158 2HD1 ILE 14 2HD1 ILE 14 22.747 24.982 16.571 159 3HD1 ILE 14 3HD1 ILE 14 21.185 25.719 16.934 160 H PHE 15 H PHE 15 24.634 28.952 15.310 161 HA PHE 15 HA PHE 15 27.263 28.980 14.299 162 1HB PHE 15 1HB PHE 15 26.092 29.722 12.492 163 2HB PHE 15 2HB PHE 15 24.672 29.980 13.521 164 HD1 PHE 15 HD2 PHE 15 27.778 31.553 12.227 165 HD2 PHE 15 HD1 PHE 15 24.082 32.116 14.337 166 HE1 PHE 15 HE2 PHE 15 28.080 34.018 12.107 167 HE2 PHE 15 HE1 PHE 15 24.381 34.568 14.223 168 HZ PHE 15 HZ PHE 15 26.379 35.526 13.105 169 H TYR 16 H TYR 16 25.509 31.150 16.369 170 HA TYR 16 HA TYR 16 27.371 33.346 16.282 171 1HB TYR 16 1HB TYR 16 25.377 34.160 17.038 172 2HB TYR 16 2HB TYR 16 24.862 32.547 17.584 173 HD1 TYR 16 HD2 TYR 16 25.553 31.670 19.664 174 HD2 TYR 16 HD1 TYR 16 26.549 35.665 18.581 175 HE1 TYR 16 HE2 TYR 16 26.125 32.108 21.976 176 HE2 TYR 16 HE1 TYR 16 27.147 36.149 20.939 177 HH TYR 16 HH TYR 16 26.315 34.981 23.318 178 H ASP 17 H ASP 17 26.710 30.582 18.515 179 HA ASP 17 HA ASP 17 28.689 31.445 20.462 180 1HB ASP 17 1HB ASP 17 27.132 28.957 19.945 181 2HB ASP 17 2HB ASP 17 28.624 28.782 20.868 182 H MET 18 H MET 18 28.828 29.986 17.421 183 HA MET 18 HA MET 18 31.398 28.668 17.697 184 1HB MET 18 1HB MET 18 30.232 29.462 15.077 185 2HB MET 18 2HB MET 18 31.106 28.004 15.518 186 1HG MET 18 1HG MET 18 28.224 28.645 15.827 187 2HG MET 18 2HG MET 18 28.987 27.143 15.363 188 1HE MET 18 3HE MET 18 30.687 26.234 16.696 189 2HE MET 18 1HE MET 18 30.706 26.006 18.453 190 3HE MET 18 2HE MET 18 29.559 25.105 17.454 191 H LYS 19 H LYS 19 30.208 31.565 15.958 192 HA LYS 19 HA LYS 19 32.553 32.570 14.893 193 1HB LYS 19 1HB LYS 19 30.300 33.930 16.381 194 2HB LYS 19 2HB LYS 19 31.704 34.889 15.900 195 1HG LYS 19 1HG LYS 19 29.941 33.237 14.041 196 2HG LYS 19 2HG LYS 19 29.929 34.995 14.178 197 1HD LYS 19 1HD LYS 19 32.423 34.904 13.591 198 2HD LYS 19 2HD LYS 19 32.139 33.227 13.123 199 1HE LYS 19 1HE LYS 19 31.551 34.062 11.101 200 2HE LYS 19 2HE LYS 19 30.054 34.558 11.888 201 1HZ LYS 19 1HZ LYS 19 31.555 36.578 12.591 202 2HZ LYS 19 2HZ LYS 19 32.403 36.152 11.181 203 3HZ LYS 19 3HZ LYS 19 30.757 36.551 11.091 204 H VAL 20 H VAL 20 31.285 33.251 18.056 205 HA VAL 20 HA VAL 20 32.546 34.413 19.793 206 HB VAL 20 HB VAL 20 32.816 31.418 19.911 207 1HG1 VAL 20 2HG1 VAL 20 33.994 33.401 21.560 208 2HG1 VAL 20 3HG1 VAL 20 32.615 32.759 22.461 209 3HG1 VAL 20 1HG1 VAL 20 33.878 31.671 21.884 210 1HG2 VAL 20 3HG2 VAL 20 30.518 32.366 19.658 211 2HG2 VAL 20 1HG2 VAL 20 30.754 31.573 21.218 212 3HG2 VAL 20 2HG2 VAL 20 30.789 33.334 21.108 213 H ARG 21 H ARG 21 34.323 35.065 17.980 214 HA ARG 21 HA ARG 21 36.855 33.735 18.770 215 1HB ARG 21 1HB ARG 21 35.999 35.407 16.471 216 2HB ARG 21 2HB ARG 21 37.596 35.806 17.105 217 1HG ARG 21 1HG ARG 21 36.791 32.958 16.514 218 2HG ARG 21 2HG ARG 21 37.496 33.999 15.277 219 1HD ARG 21 1HD ARG 21 39.379 34.457 16.956 220 2HD ARG 21 2HD ARG 21 38.739 33.096 17.878 221 HE ARG 21 HE ARG 21 39.254 32.501 15.055 222 1HH1 ARG 21 1HH1 ARG 21 39.364 30.686 17.558 223 2HH1 ARG 21 2HH1 ARG 21 41.061 30.348 17.620 224 1HH2 ARG 21 1HH2 ARG 21 41.917 32.897 15.428 225 2HH2 ARG 21 2HH2 ARG 21 42.508 31.600 16.413 226 H LYS 22 H LYS 22 34.794 35.745 20.019 227 HA LYS 22 HA LYS 22 36.555 37.930 20.865 228 1HB LYS 22 1HB LYS 22 33.719 37.404 21.760 229 2HB LYS 22 2HB LYS 22 34.534 38.956 21.536 230 1HG LYS 22 1HG LYS 22 33.515 39.023 19.502 231 2HG LYS 22 2HG LYS 22 34.699 37.816 19.012 232 1HD LYS 22 1HD LYS 22 32.877 36.516 18.497 233 2HD LYS 22 2HD LYS 22 32.780 36.262 20.251 234 1HE LYS 22 1HE LYS 22 30.734 37.210 20.160 235 2HE LYS 22 2HE LYS 22 31.554 38.741 19.854 236 1HZ LYS 22 1HZ LYS 22 30.853 36.807 17.719 237 2HZ LYS 22 2HZ LYS 22 29.855 38.108 18.165 238 3HZ LYS 22 3HZ LYS 22 31.400 38.403 17.529 239 H CYS 23 H CYS 23 34.931 35.047 22.060 240 HA CYS 23 HA CYS 23 34.776 34.264 24.355 241 1HB CYS 23 1HB CYS 23 37.564 33.698 24.463 242 2HB CYS 23 2HB CYS 23 36.221 32.609 24.094 243 HG CYS 23 HG CYS 23 36.579 32.998 21.602 244 H SER 24 H SER 24 34.464 35.579 26.083 245 HA SER 24 HA SER 24 35.738 37.785 27.105 246 1HB SER 24 1HB SER 24 34.131 35.736 28.147 247 2HB SER 24 2HB SER 24 35.574 35.707 29.165 248 HG SER 24 HG SER 24 35.167 37.742 29.810 249 H THR 25 H THR 25 36.490 34.604 27.883 250 HA THR 25 HA THR 25 39.384 34.863 27.553 251 HB THR 25 HB THR 25 38.569 35.224 30.084 252 HG1 THR 25 HG1 THR 25 40.563 33.347 29.333 253 1HG2 THR 25 2HG2 THR 25 38.494 32.239 29.678 254 2HG2 THR 25 3HG2 THR 25 38.385 33.060 31.239 255 3HG2 THR 25 1HG2 THR 25 37.099 33.272 30.041 256 HA PRO 26 HA PRO 26 37.459 31.511 25.507 257 1HB PRO 26 1HB PRO 26 39.713 30.646 24.132 258 2HB PRO 26 2HB PRO 26 38.701 32.017 23.643 259 1HG PRO 26 1HG PRO 26 41.375 32.036 24.985 260 2HG PRO 26 2HG PRO 26 40.654 33.241 23.902 261 1HD PRO 26 1HD PRO 26 40.771 33.457 26.718 262 2HD PRO 26 2HD PRO 26 39.702 34.395 25.658 263 H GLU 27 H GLU 27 39.787 31.275 27.893 264 HA GLU 27 HA GLU 27 40.402 28.428 27.804 265 1HB GLU 27 1HB GLU 27 40.520 30.427 30.059 266 2HB GLU 27 2HB GLU 27 41.329 28.857 30.037 267 1HG GLU 27 1HG GLU 27 42.186 29.957 27.670 268 2HG GLU 27 2HG GLU 27 42.091 31.380 28.710 269 H GLU 28 H GLU 28 37.558 29.906 28.273 270 HA GLU 28 HA GLU 28 36.484 27.709 29.903 271 1HB GLU 28 1HB GLU 28 35.415 29.122 31.502 272 2HB GLU 28 2HB GLU 28 37.053 29.763 31.384 273 1HG GLU 28 1HG GLU 28 36.285 31.461 29.774 274 2HG GLU 28 2HG GLU 28 34.641 30.825 29.885 275 H ILE 29 H ILE 29 36.231 30.350 27.764 276 HA ILE 29 HA ILE 29 33.690 30.580 26.949 277 HB ILE 29 HB ILE 29 36.331 30.881 26.044 278 1HG1 ILE 29 1HG1 ILE 29 35.523 33.065 25.609 279 2HG1 ILE 29 2HG1 ILE 29 33.863 32.516 25.437 280 1HG2 ILE 29 2HG2 ILE 29 34.091 30.251 24.197 281 2HG2 ILE 29 3HG2 ILE 29 35.575 31.052 23.666 282 3HG2 ILE 29 1HG2 ILE 29 35.648 29.430 24.370 283 1HD1 ILE 29 1HD1 ILE 29 35.338 32.031 27.970 284 2HD1 ILE 29 2HD1 ILE 29 34.726 33.653 27.655 285 3HD1 ILE 29 3HD1 ILE 29 33.611 32.288 27.728 286 H LYS 30 H LYS 30 36.016 28.059 26.233 287 HA LYS 30 HA LYS 30 34.663 26.707 24.151 288 1HB LYS 30 1HB LYS 30 35.794 24.652 25.458 289 2HB LYS 30 2HB LYS 30 36.776 25.784 24.527 290 1HG LYS 30 1HG LYS 30 37.790 26.577 26.404 291 2HG LYS 30 2HG LYS 30 36.270 26.672 27.287 292 1HD LYS 30 1HD LYS 30 36.592 24.682 28.297 293 2HD LYS 30 2HD LYS 30 37.143 23.912 26.812 294 1HE LYS 30 1HE LYS 30 39.366 24.615 27.129 295 2HE LYS 30 2HE LYS 30 38.897 25.894 28.249 296 1HZ LYS 30 3HZ LYS 30 38.184 23.197 29.048 297 2HZ LYS 30 1HZ LYS 30 39.850 23.533 29.024 298 3HZ LYS 30 2HZ LYS 30 38.804 24.477 29.974 299 H LYS 31 H LYS 31 34.490 26.652 27.583 300 HA LYS 31 HA LYS 31 32.499 24.505 27.784 301 1HB LYS 31 1HB LYS 31 34.242 25.205 29.566 302 2HB LYS 31 2HB LYS 31 33.109 26.497 29.967 303 1HG LYS 31 1HG LYS 31 31.411 24.970 30.600 304 2HG LYS 31 2HG LYS 31 32.214 23.618 29.799 305 1HD LYS 31 1HD LYS 31 33.576 25.077 32.057 306 2HD LYS 31 2HD LYS 31 32.396 23.809 32.392 307 1HE LYS 31 1HE LYS 31 33.749 22.142 31.587 308 2HE LYS 31 2HE LYS 31 34.476 23.181 30.360 309 1HZ LYS 31 1HZ LYS 31 35.490 24.368 32.406 310 2HZ LYS 31 2HZ LYS 31 35.161 22.908 33.209 311 3HZ LYS 31 3HZ LYS 31 36.186 22.923 31.855 312 H ARG 32 H ARG 32 32.261 27.592 26.748 313 HA ARG 32 HA ARG 32 29.770 28.331 28.040 314 1HB ARG 32 1HB ARG 32 31.413 29.505 25.801 315 2HB ARG 32 2HB ARG 32 29.789 30.100 26.133 316 1HG ARG 32 1HG ARG 32 31.540 31.423 27.333 317 2HG ARG 32 2HG ARG 32 30.408 30.645 28.436 318 1HD ARG 32 1HD ARG 32 32.775 29.025 27.739 319 2HD ARG 32 2HD ARG 32 33.142 30.466 28.676 320 HE ARG 32 HE ARG 32 31.485 28.180 29.589 321 1HH1 ARG 32 1HH2 ARG 32 30.544 31.040 30.352 322 2HH1 ARG 32 2HH2 ARG 32 31.254 31.188 31.924 323 1HH2 ARG 32 1HH1 ARG 32 33.369 28.475 31.518 324 2HH2 ARG 32 2HH1 ARG 32 32.851 29.739 32.582 325 H LYS 33 H LYS 33 30.538 26.036 25.885 326 HA LYS 33 HA LYS 33 29.191 24.631 24.573 327 1HB LYS 33 1HB LYS 33 27.472 25.217 26.351 328 2HB LYS 33 2HB LYS 33 26.901 26.488 25.269 329 1HG LYS 33 1HG LYS 33 25.972 25.004 23.791 330 2HG LYS 33 2HG LYS 33 27.212 23.781 24.078 331 1HD LYS 33 1HD LYS 33 26.203 23.153 26.181 332 2HD LYS 33 2HD LYS 33 25.067 24.500 26.094 333 1HE LYS 33 1HE LYS 33 25.074 22.650 23.772 334 2HE LYS 33 2HE LYS 33 24.440 21.997 25.283 335 1HZ LYS 33 1HZ LYS 33 23.144 24.197 25.375 336 2HZ LYS 33 2HZ LYS 33 23.477 24.299 23.716 337 3HZ LYS 33 3HZ LYS 33 22.600 22.977 24.324 338 H LYS 34 H LYS 34 29.932 24.971 22.539 339 HA LYS 34 HA LYS 34 28.461 26.970 20.925 340 1HB LYS 34 1HB LYS 34 31.361 26.427 20.337 341 2HB LYS 34 2HB LYS 34 30.386 27.828 19.902 342 1HG LYS 34 1HG LYS 34 30.913 28.907 21.814 343 2HG LYS 34 2HG LYS 34 30.602 27.481 22.798 344 1HD LYS 34 1HD LYS 34 32.775 26.816 22.773 345 2HD LYS 34 2HD LYS 34 33.020 27.341 21.109 346 1HE LYS 34 1HE LYS 34 32.541 29.605 22.848 347 2HE LYS 34 2HE LYS 34 33.899 28.635 23.422 348 1HZ LYS 34 3HZ LYS 34 34.547 28.668 20.919 349 2HZ LYS 34 1HZ LYS 34 33.581 30.061 20.880 350 3HZ LYS 34 2HZ LYS 34 34.923 29.991 21.916 351 H ALA 35 H ALA 35 30.646 24.136 20.879 352 HA ALA 35 HA ALA 35 29.808 23.339 18.266 353 1HB ALA 35 3HB ALA 35 31.268 21.981 20.500 354 2HB ALA 35 1HB ALA 35 30.761 21.076 19.077 355 3HB ALA 35 2HB ALA 35 31.880 22.440 18.924 356 H VAL 36 H VAL 36 28.204 22.039 17.787 357 HA VAL 36 HA VAL 36 26.539 20.733 19.850 358 HB VAL 36 HB VAL 36 24.658 22.241 19.097 359 1HG1 VAL 36 3HG1 VAL 36 26.129 22.461 21.274 360 2HG1 VAL 36 1HG1 VAL 36 26.765 23.881 20.449 361 3HG1 VAL 36 2HG1 VAL 36 25.044 23.773 20.823 362 1HG2 VAL 36 2HG2 VAL 36 26.667 23.056 17.350 363 2HG2 VAL 36 3HG2 VAL 36 25.061 23.739 17.540 364 3HG2 VAL 36 1HG2 VAL 36 26.415 24.413 18.450 365 H ILE 37 H ILE 37 24.601 19.741 18.941 366 HA ILE 37 HA ILE 37 24.516 19.547 15.992 367 HB ILE 37 HB ILE 37 24.106 17.423 18.112 368 1HG1 ILE 37 1HG1 ILE 37 25.254 16.481 15.656 369 2HG1 ILE 37 2HG1 ILE 37 26.099 17.953 16.108 370 1HG2 ILE 37 3HG2 ILE 37 22.971 17.641 15.305 371 2HG2 ILE 37 1HG2 ILE 37 23.074 16.116 16.199 372 3HG2 ILE 37 2HG2 ILE 37 22.094 17.442 16.836 373 1HD1 ILE 37 2HD1 ILE 37 26.524 17.005 18.376 374 2HD1 ILE 37 3HD1 ILE 37 25.725 15.513 17.893 375 3HD1 ILE 37 1HD1 ILE 37 27.225 15.999 17.113 376 H PHE 38 H PHE 38 22.002 19.046 15.455 377 HA PHE 38 HA PHE 38 20.259 20.117 17.568 378 1HB PHE 38 1HB PHE 38 21.059 21.517 15.051 379 2HB PHE 38 2HB PHE 38 19.355 21.621 15.487 380 HD1 PHE 38 HD2 PHE 38 22.840 22.183 16.960 381 HD2 PHE 38 HD1 PHE 38 18.651 23.139 17.082 382 HE1 PHE 38 HE2 PHE 38 23.263 23.859 18.713 383 HE2 PHE 38 HE1 PHE 38 19.088 24.839 18.816 384 HZ PHE 38 HZ PHE 38 21.396 25.193 19.644 385 H CYS 39 H CYS 39 18.082 19.104 17.410 386 HA CYS 39 HA CYS 39 17.697 17.512 14.902 387 1HB CYS 39 1HB CYS 39 18.602 16.172 16.830 388 2HB CYS 39 2HB CYS 39 17.081 16.479 17.660 389 HG CYS 39 HG CYS 39 17.363 14.282 15.794 390 H LEU 40 H LEU 40 16.158 19.877 15.217 391 HA LEU 40 HA LEU 40 13.914 20.499 14.945 392 1HB LEU 40 1HB LEU 40 13.479 17.517 14.909 393 2HB LEU 40 2HB LEU 40 12.365 18.728 14.293 394 HG LEU 40 HG LEU 40 14.930 17.767 13.145 395 1HD1 LEU 40 1HD1 LEU 40 12.264 17.737 12.417 396 2HD1 LEU 40 2HD1 LEU 40 12.906 19.071 11.458 397 3HD1 LEU 40 3HD1 LEU 40 13.615 17.461 11.319 398 1HD2 LEU 40 1HD2 LEU 40 14.043 20.653 13.206 399 2HD2 LEU 40 2HD2 LEU 40 15.653 19.998 13.456 400 3HD2 LEU 40 3HD2 LEU 40 14.957 20.022 11.836 401 H SER 41 H SER 41 12.396 21.240 16.238 402 HA SER 41 HA SER 41 12.326 20.971 19.002 403 1HB SER 41 1HB SER 41 10.870 22.360 16.981 404 2HB SER 41 2HB SER 41 9.727 21.692 18.142 405 HG SER 41 HG SER 41 10.567 23.761 18.753 406 H ALA 42 H ALA 42 9.611 20.656 19.682 407 HA ALA 42 HA ALA 42 9.405 17.807 20.048 408 1HB ALA 42 2HB ALA 42 8.343 19.804 21.416 409 2HB ALA 42 3HB ALA 42 7.012 19.610 20.276 410 3HB ALA 42 1HB ALA 42 7.492 18.264 21.309 411 H ASP 43 H ASP 43 8.226 16.295 18.872 412 HA ASP 43 HA ASP 43 6.891 15.443 17.120 413 1HB ASP 43 1HB ASP 43 5.522 17.663 17.695 414 2HB ASP 43 2HB ASP 43 6.190 18.188 16.149 415 H LYS 44 H LYS 44 9.552 17.379 16.968 416 HA LYS 44 HA LYS 44 11.242 17.608 15.426 417 1HB LYS 44 1HB LYS 44 9.891 15.210 14.656 418 2HB LYS 44 2HB LYS 44 10.292 16.109 13.191 419 1HG LYS 44 1HG LYS 44 12.134 14.588 13.912 420 2HG LYS 44 2HG LYS 44 12.618 16.283 13.885 421 1HD LYS 44 1HD LYS 44 13.373 15.843 15.998 422 2HD LYS 44 2HD LYS 44 11.678 16.077 16.436 423 1HE LYS 44 1HE LYS 44 12.615 13.369 15.537 424 2HE LYS 44 2HE LYS 44 12.915 13.887 17.195 425 1HZ LYS 44 2HZ LYS 44 10.318 14.567 16.764 426 2HZ LYS 44 3HZ LYS 44 10.463 13.081 15.952 427 3HZ LYS 44 1HZ LYS 44 10.856 13.188 17.598 428 H LYS 45 H LYS 45 11.006 19.658 14.995 429 HA LYS 45 HA LYS 45 9.856 20.365 12.408 430 1HB LYS 45 1HB LYS 45 8.762 21.086 15.074 431 2HB LYS 45 2HB LYS 45 8.695 22.314 13.785 432 1HG LYS 45 1HG LYS 45 7.754 20.342 12.343 433 2HG LYS 45 2HG LYS 45 7.398 19.603 13.904 434 1HD LYS 45 1HD LYS 45 5.694 21.038 14.327 435 2HD LYS 45 2HD LYS 45 6.600 22.431 13.732 436 1HE LYS 45 1HE LYS 45 6.076 20.829 11.468 437 2HE LYS 45 2HE LYS 45 4.569 20.876 12.383 438 1HZ LYS 45 3HZ LYS 45 6.067 23.369 12.005 439 2HZ LYS 45 1HZ LYS 45 5.171 22.760 10.700 440 3HZ LYS 45 2HZ LYS 45 4.393 23.127 12.166 441 H CYS 46 H CYS 46 10.110 23.001 14.533 442 HA CYS 46 HA CYS 46 12.045 24.518 13.318 443 1HB CYS 46 1HB CYS 46 11.338 24.123 16.218 444 2HB CYS 46 2HB CYS 46 12.806 25.029 15.830 445 HG CYS 46 HG CYS 46 10.232 26.322 15.820 446 H ILE 47 H ILE 47 14.183 24.411 13.011 447 HA ILE 47 HA ILE 47 15.851 22.232 13.497 448 HB ILE 47 HB ILE 47 16.055 24.835 12.560 449 1HG1 ILE 47 1HG1 ILE 47 18.541 24.177 12.308 450 2HG1 ILE 47 2HG1 ILE 47 18.044 22.647 13.039 451 1HG2 ILE 47 1HG2 ILE 47 16.482 25.364 15.045 452 2HG2 ILE 47 2HG2 ILE 47 18.075 24.652 14.757 453 3HG2 ILE 47 3HG2 ILE 47 17.552 26.055 13.826 454 1HD1 ILE 47 2HD1 ILE 47 16.026 23.123 11.233 455 2HD1 ILE 47 3HD1 ILE 47 17.460 23.738 10.386 456 3HD1 ILE 47 1HD1 ILE 47 17.438 22.049 10.956 457 H ILE 48 H ILE 48 17.006 21.650 15.553 458 HA ILE 48 HA ILE 48 16.646 23.412 17.872 459 HB ILE 48 HB ILE 48 14.483 21.921 17.147 460 1HG1 ILE 48 1HG1 ILE 48 15.348 23.447 19.393 461 2HG1 ILE 48 2HG1 ILE 48 13.687 23.056 18.932 462 1HG2 ILE 48 3HG2 ILE 48 15.993 20.283 19.214 463 2HG2 ILE 48 1HG2 ILE 48 14.333 20.032 18.726 464 3HG2 ILE 48 2HG2 ILE 48 15.636 19.785 17.572 465 1HD1 ILE 48 3HD1 ILE 48 15.499 21.201 20.503 466 2HD1 ILE 48 1HD1 ILE 48 14.268 22.240 21.232 467 3HD1 ILE 48 2HD1 ILE 48 13.795 20.948 20.124 468 H VAL 49 H VAL 49 17.024 21.889 19.927 469 HA VAL 49 HA VAL 49 19.322 20.120 19.190 470 HB VAL 49 HB VAL 49 18.814 21.534 21.833 471 1HG1 VAL 49 3HG1 VAL 49 19.856 19.229 21.983 472 2HG1 VAL 49 1HG1 VAL 49 21.177 19.821 20.978 473 3HG1 VAL 49 2HG1 VAL 49 20.900 20.524 22.571 474 1HG2 VAL 49 1HG2 VAL 49 20.492 22.110 19.439 475 2HG2 VAL 49 2HG2 VAL 49 19.761 23.228 20.591 476 3HG2 VAL 49 3HG2 VAL 49 21.246 22.374 21.011 477 H GLU 50 H GLU 50 18.013 18.231 18.916 478 HA GLU 50 HA GLU 50 16.532 17.376 21.355 479 1HB GLU 50 1HB GLU 50 15.558 17.619 18.749 480 2HB GLU 50 2HB GLU 50 15.857 15.893 18.950 481 1HG GLU 50 1HG GLU 50 14.357 17.527 21.006 482 2HG GLU 50 2HG GLU 50 13.546 16.708 19.671 483 H GLU 51 H GLU 51 18.606 16.738 22.082 484 HA GLU 51 HA GLU 51 19.120 13.969 21.529 485 1HB GLU 51 1HB GLU 51 21.072 14.309 20.198 486 2HB GLU 51 2HB GLU 51 19.785 15.315 19.539 487 1HG GLU 51 1HG GLU 51 20.973 16.965 21.417 488 2HG GLU 51 2HG GLU 51 22.331 16.142 20.656 489 H GLY 52 H GLY 52 22.082 14.926 21.990 490 1HA GLY 52 1HA GLY 52 22.321 16.107 24.538 491 2HA GLY 52 2HA GLY 52 22.185 14.362 24.780 492 H LYS 53 H LYS 53 23.861 16.554 22.536 493 HA LYS 53 HA LYS 53 26.376 15.045 23.076 494 1HB LYS 53 1HB LYS 53 26.845 15.632 20.535 495 2HB LYS 53 2HB LYS 53 25.946 14.189 20.951 496 1HG LYS 53 1HG LYS 53 24.057 16.310 20.811 497 2HG LYS 53 2HG LYS 53 25.083 16.488 19.418 498 1HD LYS 53 1HD LYS 53 22.959 14.951 19.251 499 2HD LYS 53 2HD LYS 53 24.462 14.390 18.516 500 1HE LYS 53 1HE LYS 53 24.717 12.726 20.040 501 2HE LYS 53 2HE LYS 53 24.202 13.747 21.378 502 1HZ LYS 53 3HZ LYS 53 22.130 13.028 19.473 503 2HZ LYS 53 1HZ LYS 53 22.739 11.743 20.397 504 3HZ LYS 53 2HZ LYS 53 22.071 13.100 21.171 505 H GLU 54 H GLU 54 26.568 17.385 20.609 506 HA GLU 54 HA GLU 54 27.425 19.552 20.571 507 1HB GLU 54 1HB GLU 54 26.015 20.752 21.874 508 2HB GLU 54 2HB GLU 54 25.874 19.451 23.051 509 1HG GLU 54 1HG GLU 54 28.452 21.044 22.951 510 2HG GLU 54 2HG GLU 54 27.029 21.730 23.742 511 H ILE 55 H ILE 55 29.427 20.335 20.750 512 HA ILE 55 HA ILE 55 31.186 19.025 22.746 513 HB ILE 55 HB ILE 55 31.379 19.545 19.911 514 1HG1 ILE 55 1HG1 ILE 55 33.128 17.985 21.778 515 2HG1 ILE 55 2HG1 ILE 55 31.549 17.391 21.199 516 1HG2 ILE 55 3HG2 ILE 55 33.693 20.244 21.709 517 2HG2 ILE 55 1HG2 ILE 55 33.821 19.860 19.993 518 3HG2 ILE 55 2HG2 ILE 55 32.945 21.302 20.509 519 1HD1 ILE 55 2HD1 ILE 55 32.739 18.455 18.970 520 2HD1 ILE 55 3HD1 ILE 55 34.060 17.623 19.782 521 3HD1 ILE 55 1HD1 ILE 55 32.593 16.748 19.348 522 H LEU 56 H LEU 56 32.933 20.606 23.471 523 HA LEU 56 HA LEU 56 31.685 23.267 23.885 524 1HB LEU 56 1HB LEU 56 33.925 21.941 25.447 525 2HB LEU 56 2HB LEU 56 33.075 23.417 25.891 526 HG LEU 56 HG LEU 56 32.059 21.681 27.165 527 1HD1 LEU 56 3HD1 LEU 56 30.511 23.271 26.050 528 2HD1 LEU 56 1HD1 LEU 56 30.365 22.150 24.695 529 3HD1 LEU 56 2HD1 LEU 56 29.768 21.688 26.290 530 1HD2 LEU 56 3HD2 LEU 56 32.950 20.002 25.191 531 2HD2 LEU 56 1HD2 LEU 56 31.806 19.528 26.448 532 3HD2 LEU 56 2HD2 LEU 56 31.218 20.028 24.863 533 H VAL 57 H VAL 57 33.971 21.974 21.864 534 HA VAL 57 HA VAL 57 35.524 22.949 20.494 535 HB VAL 57 HB VAL 57 35.389 25.127 20.089 536 1HG1 VAL 57 2HG1 VAL 57 33.058 24.070 20.636 537 2HG1 VAL 57 3HG1 VAL 57 33.043 25.283 21.907 538 3HG1 VAL 57 1HG1 VAL 57 33.179 25.777 20.220 539 1HG2 VAL 57 1HG2 VAL 57 35.715 25.523 23.005 540 2HG2 VAL 57 2HG2 VAL 57 36.427 26.410 21.670 541 3HG2 VAL 57 3HG2 VAL 57 34.781 26.760 22.182 542 H GLY 58 H GLY 58 35.830 23.939 23.899 543 1HA GLY 58 1HA GLY 58 38.753 23.906 23.693 544 2HA GLY 58 2HA GLY 58 37.832 24.206 25.165 545 H ASP 59 H ASP 59 36.109 21.828 24.885 546 HA ASP 59 HA ASP 59 37.534 19.895 26.337 547 1HB ASP 59 1HB ASP 59 35.225 19.660 24.402 548 2HB ASP 59 2HB ASP 59 36.009 18.188 24.992 549 H VAL 60 H VAL 60 37.096 20.231 22.875 550 HA VAL 60 HA VAL 60 38.453 18.259 21.646 551 HB VAL 60 HB VAL 60 38.899 21.233 21.239 552 1HG1 VAL 60 1HG1 VAL 60 40.487 19.430 20.158 553 2HG1 VAL 60 2HG1 VAL 60 39.095 19.152 19.110 554 3HG1 VAL 60 3HG1 VAL 60 39.842 20.746 19.173 555 1HG2 VAL 60 1HG2 VAL 60 36.897 19.236 20.145 556 2HG2 VAL 60 2HG2 VAL 60 36.554 20.680 21.098 557 3HG2 VAL 60 3HG2 VAL 60 37.150 20.834 19.446 558 H GLY 61 H GLY 61 40.012 17.228 22.878 559 1HA GLY 61 1HA GLY 61 42.607 17.310 22.680 560 2HA GLY 61 2HA GLY 61 42.441 18.773 23.653 561 H VAL 62 H VAL 62 39.985 17.014 24.700 562 HA VAL 62 HA VAL 62 41.555 15.666 26.850 563 HB VAL 62 HB VAL 62 38.786 16.903 26.768 564 1HG1 VAL 62 1HG1 VAL 62 40.009 15.022 28.792 565 2HG1 VAL 62 2HG1 VAL 62 38.660 16.091 29.178 566 3HG1 VAL 62 3HG1 VAL 62 38.476 14.851 27.937 567 1HG2 VAL 62 2HG2 VAL 62 41.396 17.472 28.113 568 2HG2 VAL 62 3HG2 VAL 62 40.260 18.586 27.355 569 3HG2 VAL 62 1HG2 VAL 62 39.907 17.913 28.947 570 H THR 63 H THR 63 38.162 15.258 26.069 571 HA THR 63 HA THR 63 38.536 12.393 25.637 572 HB THR 63 HB THR 63 36.160 14.261 25.418 573 HG1 THR 63 HG1 THR 63 35.548 12.630 27.152 574 1HG2 THR 63 2HG2 THR 63 36.526 11.451 24.545 575 2HG2 THR 63 3HG2 THR 63 35.027 11.832 25.391 576 3HG2 THR 63 1HG2 THR 63 35.452 12.699 23.916 577 H ILE 64 H ILE 64 38.721 15.333 23.907 578 HA ILE 64 HA ILE 64 38.582 13.830 21.323 579 HB ILE 64 HB ILE 64 38.063 16.456 20.664 580 1HG1 ILE 64 1HG1 ILE 64 36.820 15.782 23.347 581 2HG1 ILE 64 2HG1 ILE 64 37.664 17.260 22.888 582 1HG2 ILE 64 1HG2 ILE 64 36.940 14.011 20.308 583 2HG2 ILE 64 2HG2 ILE 64 35.748 14.746 21.392 584 3HG2 ILE 64 3HG2 ILE 64 36.140 15.515 19.848 585 1HD1 ILE 64 3HD1 ILE 64 35.827 17.568 21.125 586 2HD1 ILE 64 1HD1 ILE 64 34.951 16.297 21.975 587 3HD1 ILE 64 2HD1 ILE 64 35.337 17.807 22.804 588 H THR 65 H THR 65 39.720 15.601 19.570 589 HA THR 65 HA THR 65 42.163 16.725 20.803 590 HB THR 65 HB THR 65 43.566 15.370 19.117 591 HG1 THR 65 HG1 THR 65 42.211 14.286 17.894 592 1HG2 THR 65 3HG2 THR 65 43.237 15.050 21.711 593 2HG2 THR 65 1HG2 THR 65 42.365 13.598 21.218 594 3HG2 THR 65 2HG2 THR 65 44.056 13.807 20.766 595 H ASP 66 H ASP 66 39.822 17.527 18.931 596 HA ASP 66 HA ASP 66 39.857 19.481 17.554 597 1HB ASP 66 1HB ASP 66 41.771 20.475 16.921 598 2HB ASP 66 2HB ASP 66 42.471 19.345 18.091 599 HA PRO 67 HA PRO 67 40.015 16.810 13.646 600 1HB PRO 67 1HB PRO 67 39.049 14.270 14.070 601 2HB PRO 67 2HB PRO 67 40.772 14.661 14.104 602 1HG PRO 67 1HG PRO 67 38.932 14.135 16.403 603 2HG PRO 67 2HG PRO 67 40.668 13.813 16.255 604 1HD PRO 67 1HD PRO 67 39.543 15.995 17.634 605 2HD PRO 67 2HD PRO 67 41.228 15.865 17.078 606 H PHE 68 H PHE 68 37.534 14.716 14.726 607 HA PHE 68 HA PHE 68 35.383 16.489 15.271 608 1HB PHE 68 1HB PHE 68 34.332 16.793 13.190 609 2HB PHE 68 2HB PHE 68 36.037 16.951 12.736 610 HD1 PHE 68 HD1 PHE 68 37.302 14.957 11.975 611 HD2 PHE 68 HD2 PHE 68 33.038 14.925 12.418 612 HE1 PHE 68 HE1 PHE 68 37.185 12.872 10.682 613 HE2 PHE 68 HE2 PHE 68 32.922 12.817 11.119 614 HZ PHE 68 HZ PHE 68 34.997 11.785 10.254 615 H LYS 69 H LYS 69 36.573 13.515 13.820 616 HA LYS 69 HA LYS 69 34.469 11.766 13.683 617 1HB LYS 69 1HB LYS 69 36.003 9.994 14.283 618 2HB LYS 69 2HB LYS 69 36.890 11.206 13.356 619 1HG LYS 69 1HG LYS 69 38.366 11.139 15.085 620 2HG LYS 69 2HG LYS 69 37.184 12.157 15.910 621 1HD LYS 69 1HD LYS 69 37.736 10.284 17.357 622 2HD LYS 69 2HD LYS 69 36.082 10.079 16.776 623 1HE LYS 69 1HE LYS 69 36.974 7.956 16.403 624 2HE LYS 69 2HE LYS 69 37.226 8.728 14.838 625 1HZ LYS 69 1HZ LYS 69 39.318 9.060 16.844 626 2HZ LYS 69 2HZ LYS 69 39.168 7.522 16.138 627 3HZ LYS 69 3HZ LYS 69 39.447 8.879 15.160 628 H HIS 70 H HIS 70 35.694 13.228 16.652 629 HA HIS 70 HA HIS 70 34.223 11.349 18.317 630 1HB HIS 70 1HB HIS 70 35.675 12.270 19.782 631 2HB HIS 70 2HB HIS 70 35.850 13.741 18.807 632 HD1 HIS 70 HD1 HIS 70 33.428 12.127 21.247 633 HD2 HIS 70 HD2 HIS 70 34.183 15.819 19.512 634 HE1 HIS 70 HE1 HIS 70 31.884 13.790 22.354 635 H PHE 71 H PHE 71 33.757 14.750 17.351 636 HA PHE 71 HA PHE 71 31.305 15.156 18.605 637 1HB PHE 71 1HB PHE 71 32.146 17.145 17.683 638 2HB PHE 71 2HB PHE 71 32.690 16.331 16.216 639 HD1 PHE 71 HD1 PHE 71 31.020 15.615 14.502 640 HD2 PHE 71 HD2 PHE 71 30.005 18.121 17.843 641 HE1 PHE 71 HE1 PHE 71 28.923 16.281 13.358 642 HE2 PHE 71 HE2 PHE 71 27.900 18.772 16.708 643 HZ PHE 71 HZ PHE 71 27.367 17.849 14.461 644 H VAL 72 H VAL 72 32.043 13.606 15.516 645 HA VAL 72 HA VAL 72 29.277 13.217 14.705 646 HB VAL 72 HB VAL 72 30.773 11.036 13.684 647 1HG1 VAL 72 1HG1 VAL 72 30.216 13.736 12.452 648 2HG1 VAL 72 2HG1 VAL 72 30.655 12.273 11.568 649 3HG1 VAL 72 3HG1 VAL 72 29.125 12.349 12.444 650 1HG2 VAL 72 2HG2 VAL 72 32.757 12.213 14.618 651 2HG2 VAL 72 3HG2 VAL 72 32.810 11.972 12.875 652 3HG2 VAL 72 1HG2 VAL 72 32.406 13.559 13.535 653 H GLY 73 H GLY 73 31.582 11.653 16.739 654 1HA GLY 73 1HA GLY 73 30.118 9.210 17.218 655 2HA GLY 73 2HA GLY 73 31.428 9.842 18.227 656 H MET 74 H MET 74 30.024 12.491 18.342 657 HA MET 74 HA MET 74 28.529 12.104 20.749 658 1HB MET 74 1HB MET 74 29.526 14.262 19.210 659 2HB MET 74 2HB MET 74 27.800 14.526 19.463 660 1HG MET 74 1HG MET 74 28.144 14.108 21.894 661 2HG MET 74 2HG MET 74 29.876 13.975 21.595 662 1HE MET 74 3HE MET 74 29.425 16.018 19.003 663 2HE MET 74 1HE MET 74 29.886 17.617 19.601 664 3HE MET 74 2HE MET 74 30.965 16.237 19.846 665 H LEU 75 H LEU 75 27.584 13.227 17.633 666 HA LEU 75 HA LEU 75 24.796 12.644 17.974 667 1HB LEU 75 1HB LEU 75 24.813 12.776 15.428 668 2HB LEU 75 2HB LEU 75 25.336 14.217 16.297 669 HG LEU 75 HG LEU 75 27.697 12.801 16.061 670 1HD1 LEU 75 2HD1 LEU 75 25.965 11.483 14.428 671 2HD1 LEU 75 3HD1 LEU 75 26.705 12.638 13.311 672 3HD1 LEU 75 1HD1 LEU 75 27.718 11.516 14.209 673 1HD2 LEU 75 1HD2 LEU 75 26.387 15.140 14.935 674 2HD2 LEU 75 2HD2 LEU 75 28.083 14.915 15.366 675 3HD2 LEU 75 3HD2 LEU 75 27.506 14.422 13.769 676 HA PRO 76 HA PRO 76 25.191 8.257 17.290 677 1HB PRO 76 1HB PRO 76 22.499 7.737 17.521 678 2HB PRO 76 2HB PRO 76 23.545 8.034 18.917 679 1HG PRO 76 1HG PRO 76 21.493 9.802 17.701 680 2HG PRO 76 2HG PRO 76 22.150 9.813 19.346 681 1HD PRO 76 1HD PRO 76 22.871 11.560 17.197 682 2HD PRO 76 2HD PRO 76 23.642 11.461 18.794 683 H GLU 77 H GLU 77 22.880 6.972 15.978 684 HA GLU 77 HA GLU 77 23.130 8.187 13.279 685 1HB GLU 77 1HB GLU 77 22.487 5.298 13.741 686 2HB GLU 77 2HB GLU 77 23.259 6.042 12.342 687 1HG GLU 77 1HG GLU 77 25.330 6.273 13.458 688 2HG GLU 77 2HG GLU 77 24.596 6.043 15.044 689 H LYS 78 H LYS 78 21.092 7.455 15.813 690 HA LYS 78 HA LYS 78 18.722 7.107 14.077 691 1HB LYS 78 1HB LYS 78 17.736 5.984 15.793 692 2HB LYS 78 2HB LYS 78 19.416 5.728 16.254 693 1HG LYS 78 1HG LYS 78 17.700 8.011 17.279 694 2HG LYS 78 2HG LYS 78 17.969 6.510 18.147 695 1HD LYS 78 1HD LYS 78 20.294 8.193 17.213 696 2HD LYS 78 2HD LYS 78 19.478 8.529 18.735 697 1HE LYS 78 1HE LYS 78 20.457 5.755 18.065 698 2HE LYS 78 2HE LYS 78 21.505 6.945 18.834 699 1HZ LYS 78 3HZ LYS 78 19.483 7.207 20.422 700 2HZ LYS 78 1HZ LYS 78 19.092 5.647 19.878 701 3HZ LYS 78 2HZ LYS 78 20.580 5.928 20.641 702 H ASP 79 H ASP 79 20.167 9.905 15.154 703 HA ASP 79 HA ASP 79 17.793 11.427 14.841 704 1HB ASP 79 1HB ASP 79 17.778 9.967 17.262 705 2HB ASP 79 2HB ASP 79 18.019 11.662 17.692 706 H CYS 80 H CYS 80 18.527 13.347 14.388 707 HA CYS 80 HA CYS 80 19.250 15.512 15.275 708 1HB CYS 80 1HB CYS 80 21.187 15.794 16.608 709 2HB CYS 80 2HB CYS 80 20.337 14.416 17.285 710 HG CYS 80 HG CYS 80 22.140 13.023 15.630 711 H ARG 81 H ARG 81 20.155 16.869 13.819 712 HA ARG 81 HA ARG 81 21.978 15.680 11.799 713 1HB ARG 81 1HB ARG 81 19.316 16.945 11.453 714 2HB ARG 81 2HB ARG 81 20.534 17.252 10.218 715 1HG ARG 81 1HG ARG 81 20.556 14.458 10.914 716 2HG ARG 81 2HG ARG 81 18.917 14.950 10.493 717 1HD ARG 81 1HD ARG 81 20.063 16.170 8.490 718 2HD ARG 81 2HD ARG 81 21.408 15.078 8.811 719 HE ARG 81 HE ARG 81 19.217 13.392 8.712 720 1HH1 ARG 81 1HH1 ARG 81 19.588 16.124 6.731 721 2HH1 ARG 81 2HH1 ARG 81 19.476 15.254 5.241 722 1HH2 ARG 81 1HH2 ARG 81 19.466 12.136 6.740 723 2HH2 ARG 81 2HH2 ARG 81 19.406 13.008 5.245 724 H TYR 82 H TYR 82 20.452 18.957 12.221 725 HA TYR 82 HA TYR 82 22.765 20.241 11.120 726 1HB TYR 82 1HB TYR 82 20.370 21.287 12.595 727 2HB TYR 82 2HB TYR 82 21.617 22.336 11.899 728 HD1 TYR 82 HD2 TYR 82 21.715 19.454 9.985 729 HD2 TYR 82 HD1 TYR 82 19.226 22.873 10.628 730 HE1 TYR 82 HE2 TYR 82 20.770 19.165 7.732 731 HE2 TYR 82 HE1 TYR 82 18.249 22.586 8.366 732 HH TYR 82 HH TYR 82 17.974 20.476 6.758 733 H ALA 83 H ALA 83 24.640 20.759 11.979 734 HA ALA 83 HA ALA 83 24.754 21.215 14.875 735 1HB ALA 83 3HB ALA 83 25.353 18.791 13.946 736 2HB ALA 83 1HB ALA 83 26.906 19.582 13.687 737 3HB ALA 83 2HB ALA 83 26.215 19.519 15.297 738 H LEU 84 H LEU 84 26.073 22.750 15.427 739 HA LEU 84 HA LEU 84 28.078 23.742 13.472 740 1HB LEU 84 1HB LEU 84 26.390 25.198 15.493 741 2HB LEU 84 2HB LEU 84 27.839 25.914 14.802 742 HG LEU 84 HG LEU 84 25.250 25.227 13.457 743 1HD1 LEU 84 2HD1 LEU 84 27.246 27.501 13.258 744 2HD1 LEU 84 3HD1 LEU 84 25.730 27.411 12.362 745 3HD1 LEU 84 1HD1 LEU 84 25.708 27.545 14.118 746 1HD2 LEU 84 3HD2 LEU 84 28.001 25.206 12.225 747 2HD2 LEU 84 1HD2 LEU 84 26.760 23.959 12.139 748 3HD2 LEU 84 2HD2 LEU 84 26.541 25.481 11.284 749 H TYR 85 H TYR 85 29.911 22.823 14.050 750 HA TYR 85 HA TYR 85 30.527 22.718 16.955 751 1HB TYR 85 1HB TYR 85 30.639 20.525 16.319 752 2HB TYR 85 2HB TYR 85 31.070 20.923 14.655 753 HD1 TYR 85 HD2 TYR 85 32.361 20.949 18.148 754 HD2 TYR 85 HD1 TYR 85 33.308 20.946 13.953 755 HE1 TYR 85 HE2 TYR 85 34.766 20.604 18.703 756 HE2 TYR 85 HE1 TYR 85 35.701 20.537 14.500 757 HH TYR 85 HH TYR 85 37.235 20.979 16.432 758 H ASP 86 H ASP 86 31.778 24.429 17.473 759 HA ASP 86 HA ASP 86 33.368 25.990 15.767 760 1HB ASP 86 1HB ASP 86 32.887 26.011 18.438 761 2HB ASP 86 2HB ASP 86 34.554 25.437 18.430 762 H ALA 87 H ALA 87 34.501 24.756 14.239 763 HA ALA 87 HA ALA 87 36.237 22.558 15.118 764 1HB ALA 87 3HB ALA 87 35.033 23.337 12.690 765 2HB ALA 87 1HB ALA 87 36.778 23.425 12.430 766 3HB ALA 87 2HB ALA 87 36.040 21.918 12.979 767 H SER 88 H SER 88 38.178 22.979 16.023 768 HA SER 88 HA SER 88 39.584 25.487 15.386 769 1HB SER 88 1HB SER 88 40.748 23.220 16.987 770 2HB SER 88 2HB SER 88 41.077 24.943 17.115 771 HG SER 88 HG SER 88 39.627 23.912 18.742 772 H PHE 89 H PHE 89 40.140 25.261 13.231 773 HA PHE 89 HA PHE 89 42.140 23.119 12.618 774 1HB PHE 89 1HB PHE 89 41.216 22.940 10.389 775 2HB PHE 89 2HB PHE 89 39.886 22.753 11.540 776 HD1 PHE 89 HD1 PHE 89 38.276 24.550 11.918 777 HD2 PHE 89 HD2 PHE 89 41.465 24.985 9.076 778 HE1 PHE 89 HE1 PHE 89 37.150 26.537 10.970 779 HE2 PHE 89 HE2 PHE 89 40.342 26.984 8.124 780 HZ PHE 89 HZ PHE 89 38.184 27.762 9.071 781 H GLU 90 H GLU 90 43.946 23.832 11.431 782 HA GLU 90 HA GLU 90 44.218 26.753 11.209 783 1HB GLU 90 1HB GLU 90 46.137 24.499 10.577 784 2HB GLU 90 2HB GLU 90 46.509 26.213 10.331 785 1HG GLU 90 1HG GLU 90 45.792 26.530 12.778 786 2HG GLU 90 2HG GLU 90 45.949 24.781 12.926 787 H THR 91 H THR 91 45.133 27.550 9.062 788 HA THR 91 HA THR 91 44.196 26.049 6.749 789 HB THR 91 HB THR 91 42.103 27.030 7.179 790 HG1 THR 91 HG1 THR 91 41.890 28.398 5.579 791 1HG2 THR 91 3HG2 THR 91 43.186 28.298 9.165 792 2HG2 THR 91 1HG2 THR 91 43.365 29.635 8.021 793 3HG2 THR 91 2HG2 THR 91 41.762 28.999 8.408 794 H LYS 92 H LYS 92 44.401 27.997 4.716 795 HA LYS 92 HA LYS 92 47.144 28.764 4.741 796 1HB LYS 92 1HB LYS 92 44.766 30.016 3.312 797 2HB LYS 92 2HB LYS 92 46.453 30.390 2.955 798 1HG LYS 92 1HG LYS 92 46.786 27.899 2.530 799 2HG LYS 92 2HG LYS 92 45.029 27.742 2.595 800 1HD LYS 92 1HD LYS 92 45.049 28.246 0.391 801 2HD LYS 92 2HD LYS 92 45.412 29.900 0.889 802 1HE LYS 92 1HE LYS 92 47.869 28.547 1.009 803 2HE LYS 92 2HE LYS 92 47.111 27.988 -0.482 804 1HZ LYS 92 2HZ LYS 92 46.835 30.815 -0.024 805 2HZ LYS 92 3HZ LYS 92 48.449 30.314 -0.198 806 3HZ LYS 92 1HZ LYS 92 47.323 29.984 -1.424 807 H GLU 93 H GLU 93 44.276 29.925 6.271 808 HA GLU 93 HA GLU 93 45.382 32.527 7.023 809 1HB GLU 93 1HB GLU 93 43.026 31.404 8.435 810 2HB GLU 93 2HB GLU 93 43.280 33.029 7.802 811 1HG GLU 93 1HG GLU 93 43.214 31.735 5.468 812 2HG GLU 93 2HG GLU 93 42.258 30.590 6.410 813 H SER 94 H SER 94 45.048 29.326 8.294 814 HA SER 94 HA SER 94 46.492 28.363 9.925 815 1HB SER 94 1HB SER 94 46.492 31.047 11.221 816 2HB SER 94 2HB SER 94 47.499 29.655 11.611 817 HG SER 94 HG SER 94 48.780 30.832 10.306 818 H ARG 95 H ARG 95 46.233 28.327 12.452 819 HA ARG 95 HA ARG 95 43.756 27.327 13.148 820 1HB ARG 95 1HB ARG 95 46.072 27.693 14.519 821 2HB ARG 95 2HB ARG 95 45.047 28.913 15.270 822 1HG ARG 95 1HG ARG 95 44.631 26.993 16.568 823 2HG ARG 95 2HG ARG 95 43.276 27.034 15.441 824 1HD ARG 95 1HD ARG 95 44.082 25.246 14.194 825 2HD ARG 95 2HD ARG 95 45.758 25.549 14.656 826 HE ARG 95 HE ARG 95 44.383 24.826 17.013 827 1HH1 ARG 95 1HH1 ARG 95 43.507 23.183 14.356 828 2HH1 ARG 95 2HH1 ARG 95 44.313 21.696 14.729 829 1HH2 ARG 95 1HH2 ARG 95 46.164 23.042 17.332 830 2HH2 ARG 95 2HH2 ARG 95 45.816 21.617 16.413 831 H LYS 96 H LYS 96 41.985 28.363 12.708 832 HA LYS 96 HA LYS 96 41.554 31.048 13.929 833 1HB LYS 96 1HB LYS 96 40.754 30.351 11.098 834 2HB LYS 96 2HB LYS 96 40.478 31.893 11.906 835 1HG LYS 96 1HG LYS 96 43.282 31.097 12.026 836 2HG LYS 96 2HG LYS 96 42.706 31.223 10.367 837 1HD LYS 96 1HD LYS 96 42.034 33.386 12.340 838 2HD LYS 96 2HD LYS 96 43.627 33.360 11.580 839 1HE LYS 96 1HE LYS 96 42.788 33.817 9.483 840 2HE LYS 96 2HE LYS 96 41.256 33.004 9.803 841 1HZ LYS 96 2HZ LYS 96 40.930 34.923 11.477 842 2HZ LYS 96 3HZ LYS 96 42.104 35.722 10.544 843 3HZ LYS 96 1HZ LYS 96 40.658 35.208 9.825 844 H GLU 97 H GLU 97 40.599 28.151 14.239 845 HA GLU 97 HA GLU 97 38.553 26.963 14.340 846 1HB GLU 97 1HB GLU 97 39.184 28.397 16.484 847 2HB GLU 97 2HB GLU 97 37.618 29.128 16.106 848 1HG GLU 97 1HG GLU 97 36.529 26.990 16.092 849 2HG GLU 97 2HG GLU 97 38.086 26.159 16.213 850 H GLU 98 H GLU 98 37.014 26.800 12.888 851 HA GLU 98 HA GLU 98 35.016 28.967 12.729 852 1HB GLU 98 1HB GLU 98 35.798 29.661 10.759 853 2HB GLU 98 2HB GLU 98 36.876 28.282 10.598 854 1HG GLU 98 1HG GLU 98 35.211 26.958 9.569 855 2HG GLU 98 2HG GLU 98 33.909 28.010 10.126 856 H LEU 99 H LEU 99 33.475 27.743 13.664 857 HA LEU 99 HA LEU 99 32.905 25.021 13.465 858 1HB LEU 99 1HB LEU 99 30.506 25.504 13.755 859 2HB LEU 99 2HB LEU 99 31.485 26.469 14.847 860 HG LEU 99 HG LEU 99 29.699 27.834 13.872 861 1HD1 LEU 99 1HD1 LEU 99 32.051 28.795 14.228 862 2HD1 LEU 99 2HD1 LEU 99 32.214 28.709 12.470 863 3HD1 LEU 99 3HD1 LEU 99 30.951 29.713 13.196 864 1HD2 LEU 99 2HD2 LEU 99 29.801 26.312 11.701 865 2HD2 LEU 99 3HD2 LEU 99 29.130 27.947 11.676 866 3HD2 LEU 99 1HD2 LEU 99 30.779 27.650 11.111 867 H MET 100 H MET 100 31.004 24.080 12.255 868 HA MET 100 HA MET 100 30.795 25.071 9.479 869 1HB MET 100 1HB MET 100 31.772 22.361 10.283 870 2HB MET 100 2HB MET 100 31.415 22.875 8.627 871 1HG MET 100 1HG MET 100 33.071 24.679 8.817 872 2HG MET 100 2HG MET 100 33.443 24.182 10.463 873 1HE MET 100 3HE MET 100 32.342 21.467 8.240 874 2HE MET 100 1HE MET 100 33.684 20.367 8.513 875 3HE MET 100 2HE MET 100 32.833 21.076 9.891 876 H PHE 101 H PHE 101 28.836 24.632 8.613 877 HA PHE 101 HA PHE 101 26.734 23.791 10.268 878 1HB PHE 101 1HB PHE 101 26.771 25.018 7.926 879 2HB PHE 101 2HB PHE 101 26.610 23.374 7.334 880 HD1 PHE 101 HD1 PHE 101 25.144 23.478 10.518 881 HD2 PHE 101 HD2 PHE 101 24.452 24.642 6.445 882 HE1 PHE 101 HE1 PHE 101 22.706 23.533 10.947 883 HE2 PHE 101 HE2 PHE 101 22.010 24.705 6.878 884 HZ PHE 101 HZ PHE 101 21.141 24.145 9.119 885 H PHE 102 H PHE 102 26.003 21.711 10.752 886 HA PHE 102 HA PHE 102 27.220 19.573 9.061 887 1HB PHE 102 1HB PHE 102 27.146 19.943 11.971 888 2HB PHE 102 2HB PHE 102 26.679 18.326 11.437 889 HD1 PHE 102 HD2 PHE 102 28.196 17.557 9.272 890 HD2 PHE 102 HD1 PHE 102 29.393 20.180 12.456 891 HE1 PHE 102 HE2 PHE 102 30.577 17.036 8.809 892 HE2 PHE 102 HE1 PHE 102 31.769 19.671 12.002 893 HZ PHE 102 HZ PHE 102 32.369 18.086 10.162 894 H LEU 103 H LEU 103 25.590 18.802 7.831 895 HA LEU 103 HA LEU 103 22.835 18.720 8.868 896 1HB LEU 103 1HB LEU 103 24.129 18.078 6.230 897 2HB LEU 103 2HB LEU 103 22.438 17.708 6.539 898 HG LEU 103 HG LEU 103 21.831 19.896 6.398 899 1HD1 LEU 103 1HD1 LEU 103 23.065 20.440 8.526 900 2HD1 LEU 103 2HD1 LEU 103 24.512 20.725 7.563 901 3HD1 LEU 103 3HD1 LEU 103 23.096 21.753 7.354 902 1HD2 LEU 103 2HD2 LEU 103 24.398 19.551 4.951 903 2HD2 LEU 103 3HD2 LEU 103 22.820 20.031 4.336 904 3HD2 LEU 103 1HD2 LEU 103 23.846 21.212 5.154 905 H TRP 104 H TRP 104 24.543 17.328 10.334 906 HA TRP 104 HA TRP 104 25.430 14.882 9.987 907 1HB TRP 104 1HB TRP 104 25.423 15.746 12.209 908 2HB TRP 104 2HB TRP 104 23.654 15.762 12.274 909 HD1 TRP 104 HD1 TRP 104 23.332 13.906 14.109 910 HE1 TRP 104 HE1 TRP 104 23.761 11.349 14.111 911 HE3 TRP 104 HE3 TRP 104 26.174 13.526 9.930 912 HZ2 TRP 104 HZ2 TRP 104 25.255 9.432 12.493 913 HZ3 TRP 104 HZ3 TRP 104 27.041 11.422 9.188 914 HH2 TRP 104 HH2 TRP 104 26.599 9.338 10.443 915 H ALA 105 H ALA 105 24.263 13.953 8.181 916 HA ALA 105 HA ALA 105 21.596 12.856 8.770 917 1HB ALA 105 3HB ALA 105 23.384 12.910 6.327 918 2HB ALA 105 1HB ALA 105 21.983 11.844 6.403 919 3HB ALA 105 2HB ALA 105 21.770 13.595 6.503 920 HA PRO 106 HA PRO 106 24.069 9.489 10.287 921 1HB PRO 106 1HB PRO 106 22.076 8.331 11.734 922 2HB PRO 106 2HB PRO 106 22.985 9.743 12.290 923 1HG PRO 106 1HG PRO 106 20.194 9.593 11.313 924 2HG PRO 106 2HG PRO 106 20.948 10.829 12.324 925 1HD PRO 106 1HD PRO 106 20.419 10.998 9.504 926 2HD PRO 106 2HD PRO 106 21.301 12.179 10.501 927 H GLU 107 H GLU 107 21.644 9.368 8.040 928 HA GLU 107 HA GLU 107 21.118 7.705 6.461 929 1HB GLU 107 1HB GLU 107 23.629 7.040 7.280 930 2HB GLU 107 2HB GLU 107 22.737 5.590 7.728 931 1HG GLU 107 1HG GLU 107 21.690 5.855 5.320 932 2HG GLU 107 2HG GLU 107 23.161 6.781 5.013 933 H LEU 108 H LEU 108 21.038 6.856 9.932 934 HA LEU 108 HA LEU 108 18.952 4.839 9.409 935 1HB LEU 108 1HB LEU 108 20.314 5.559 12.014 936 2HB LEU 108 2HB LEU 108 19.198 4.223 11.770 937 HG LEU 108 HG LEU 108 20.783 3.285 10.096 938 1HD1 LEU 108 2HD1 LEU 108 22.211 5.766 10.868 939 2HD1 LEU 108 3HD1 LEU 108 23.173 4.339 10.469 940 3HD1 LEU 108 1HD1 LEU 108 22.043 5.004 9.288 941 1HD2 LEU 108 3HD2 LEU 108 21.547 3.761 12.966 942 2HD2 LEU 108 1HD2 LEU 108 21.039 2.260 12.188 943 3HD2 LEU 108 2HD2 LEU 108 22.661 2.890 11.912 944 H ALA 109 H ALA 109 19.511 8.017 10.613 945 HA ALA 109 HA ALA 109 17.555 8.599 12.431 946 1HB ALA 109 1HB ALA 109 18.793 10.103 10.237 947 2HB ALA 109 2HB ALA 109 17.200 10.718 10.694 948 3HB ALA 109 3HB ALA 109 18.489 10.593 11.909 949 HA PRO 110 HA PRO 110 13.570 8.026 10.812 950 1HB PRO 110 1HB PRO 110 12.300 10.346 11.601 951 2HB PRO 110 2HB PRO 110 12.707 9.023 12.708 952 1HG PRO 110 1HG PRO 110 14.060 11.671 12.363 953 2HG PRO 110 2HG PRO 110 13.924 10.658 13.812 954 1HD PRO 110 1HD PRO 110 16.211 10.835 12.205 955 2HD PRO 110 2HD PRO 110 15.862 9.507 13.328 956 H LEU 111 H LEU 111 12.109 8.736 9.088 957 HA LEU 111 HA LEU 111 13.483 10.062 6.939 958 1HB LEU 111 1HB LEU 111 10.670 9.084 7.358 959 2HB LEU 111 2HB LEU 111 11.069 10.056 5.939 960 HG LEU 111 HG LEU 111 13.117 8.319 5.837 961 1HD1 LEU 111 1HD1 LEU 111 11.658 7.260 7.918 962 2HD1 LEU 111 2HD1 LEU 111 11.062 6.334 6.540 963 3HD1 LEU 111 3HD1 LEU 111 12.785 6.349 6.913 964 1HD2 LEU 111 2HD2 LEU 111 10.977 8.851 4.293 965 2HD2 LEU 111 3HD2 LEU 111 12.054 7.492 3.968 966 3HD2 LEU 111 1HD2 LEU 111 10.534 7.229 4.823 967 H LYS 112 H LYS 112 11.844 11.261 9.640 968 HA LYS 112 HA LYS 112 10.957 13.732 8.289 969 1HB LYS 112 1HB LYS 112 11.051 13.358 11.271 970 2HB LYS 112 2HB LYS 112 9.883 14.264 10.305 971 1HG LYS 112 1HG LYS 112 10.172 11.246 10.315 972 2HG LYS 112 2HG LYS 112 8.911 12.146 11.158 973 1HD LYS 112 1HD LYS 112 7.748 11.788 9.218 974 2HD LYS 112 2HD LYS 112 8.652 13.202 8.678 975 1HE LYS 112 1HE LYS 112 9.934 11.989 7.247 976 2HE LYS 112 2HE LYS 112 10.119 10.661 8.392 977 1HZ LYS 112 3HZ LYS 112 7.482 10.594 7.711 978 2HZ LYS 112 1HZ LYS 112 8.253 10.966 6.247 979 3HZ LYS 112 2HZ LYS 112 8.695 9.569 7.107 980 H SER 113 H SER 113 13.836 12.546 9.337 981 HA SER 113 HA SER 113 14.863 15.289 9.917 982 1HB SER 113 1HB SER 113 15.381 14.235 11.918 983 2HB SER 113 2HB SER 113 15.462 12.638 11.180 984 HG SER 113 HG SER 113 17.520 12.931 10.914 985 H LYS 114 H LYS 114 14.438 13.917 7.390 986 HA LYS 114 HA LYS 114 17.148 14.266 6.281 987 1HB LYS 114 1HB LYS 114 16.640 12.170 4.787 988 2HB LYS 114 2HB LYS 114 17.327 11.932 6.390 989 1HG LYS 114 1HG LYS 114 15.363 11.066 7.251 990 2HG LYS 114 2HG LYS 114 14.342 11.985 6.146 991 1HD LYS 114 1HD LYS 114 14.677 9.385 5.783 992 2HD LYS 114 2HD LYS 114 14.637 10.474 4.397 993 1HE LYS 114 1HE LYS 114 16.860 10.190 3.949 994 2HE LYS 114 2HE LYS 114 17.295 10.106 5.657 995 1HZ LYS 114 2HZ LYS 114 16.040 7.867 5.558 996 2HZ LYS 114 3HZ LYS 114 16.317 7.972 3.886 997 3HZ LYS 114 1HZ LYS 114 17.627 7.957 4.961 998 H MET 115 H MET 115 13.721 13.641 5.763 999 HA MET 115 HA MET 115 13.682 14.909 3.095 1000 1HB MET 115 1HB MET 115 11.355 14.241 4.898 1001 2HB MET 115 2HB MET 115 11.352 14.383 3.133 1002 1HG MET 115 1HG MET 115 13.024 12.405 3.141 1003 2HG MET 115 2HG MET 115 12.526 12.160 4.811 1004 1HE MET 115 2HE MET 115 12.525 11.029 1.810 1005 2HE MET 115 3HE MET 115 11.640 9.632 2.412 1006 3HE MET 115 1HE MET 115 10.940 10.623 1.137 1007 H ILE 116 H ILE 116 13.344 15.656 6.422 1008 HA ILE 116 HA ILE 116 11.638 17.932 6.082 1009 HB ILE 116 HB ILE 116 13.057 16.385 8.139 1010 1HG1 ILE 116 1HG1 ILE 116 10.301 17.315 7.532 1011 2HG1 ILE 116 2HG1 ILE 116 10.848 15.773 8.173 1012 1HG2 ILE 116 3HG2 ILE 116 12.524 19.309 8.332 1013 2HG2 ILE 116 1HG2 ILE 116 12.519 18.303 9.783 1014 3HG2 ILE 116 2HG2 ILE 116 13.952 18.372 8.775 1015 1HD1 ILE 116 2HD1 ILE 116 11.376 17.158 10.334 1016 2HD1 ILE 116 3HD1 ILE 116 10.238 18.316 9.646 1017 3HD1 ILE 116 1HD1 ILE 116 9.713 16.672 10.004 1018 H TYR 117 H TYR 117 14.878 17.257 7.124 1019 HA TYR 117 HA TYR 117 15.846 19.889 7.475 1020 1HB TYR 117 1HB TYR 117 16.997 17.197 6.946 1021 2HB TYR 117 2HB TYR 117 18.070 18.617 6.902 1022 HD1 TYR 117 HD1 TYR 117 17.365 20.342 8.969 1023 HD2 TYR 117 HD2 TYR 117 16.986 16.085 8.946 1024 HE1 TYR 117 HE1 TYR 117 17.390 20.324 11.450 1025 HE2 TYR 117 HE2 TYR 117 17.001 16.056 11.424 1026 HH TYR 117 HH TYR 117 17.523 19.039 13.274 1027 H ALA 118 H ALA 118 15.238 17.908 4.768 1028 HA ALA 118 HA ALA 118 16.734 18.876 2.670 1029 1HB ALA 118 1HB ALA 118 14.097 17.756 3.135 1030 2HB ALA 118 2HB ALA 118 14.091 18.863 1.755 1031 3HB ALA 118 3HB ALA 118 15.190 17.480 1.772 1032 H SER 119 H SER 119 13.801 20.319 4.121 1033 HA SER 119 HA SER 119 14.474 22.867 2.705 1034 1HB SER 119 1HB SER 119 12.116 21.767 2.564 1035 2HB SER 119 2HB SER 119 11.915 22.381 4.204 1036 HG SER 119 HG SER 119 12.185 23.749 1.783 1037 H SER 120 H SER 120 14.720 21.346 5.739 1038 HA SER 120 HA SER 120 14.255 23.664 7.419 1039 1HB SER 120 1HB SER 120 14.720 21.113 8.088 1040 2HB SER 120 2HB SER 120 16.380 21.709 8.197 1041 HG SER 120 HG SER 120 15.386 23.463 9.493 1042 H LYS 121 H LYS 121 16.769 22.588 5.359 1043 HA LYS 121 HA LYS 121 18.699 24.547 6.309 1044 1HB LYS 121 1HB LYS 121 18.683 22.266 4.548 1045 2HB LYS 121 2HB LYS 121 19.518 23.663 3.849 1046 1HG LYS 121 1HG LYS 121 20.958 23.878 5.687 1047 2HG LYS 121 2HG LYS 121 19.959 22.848 6.718 1048 1HD LYS 121 1HD LYS 121 22.010 21.719 5.855 1049 2HD LYS 121 2HD LYS 121 20.528 20.887 5.369 1050 1HE LYS 121 1HE LYS 121 21.179 22.929 3.444 1051 2HE LYS 121 2HE LYS 121 22.586 21.892 3.687 1052 1HZ LYS 121 3HZ LYS 121 20.057 20.500 3.497 1053 2HZ LYS 121 1HZ LYS 121 20.535 21.294 2.073 1054 3HZ LYS 121 2HZ LYS 121 21.553 20.136 2.780 1055 H ASP 122 H ASP 122 17.269 26.110 6.113 1056 HA ASP 122 HA ASP 122 17.484 27.966 4.013 1057 1HB ASP 122 1HB ASP 122 15.781 25.966 3.201 1058 2HB ASP 122 2HB ASP 122 14.655 27.048 4.028 1059 H ALA 123 H ALA 123 15.532 26.432 6.446 1060 HA ALA 123 HA ALA 123 14.463 28.945 7.553 1061 1HB ALA 123 2HB ALA 123 13.565 26.426 7.649 1062 2HB ALA 123 3HB ALA 123 14.591 26.375 9.086 1063 3HB ALA 123 1HB ALA 123 13.270 27.545 8.984 1064 H ILE 124 H ILE 124 16.690 26.392 8.567 1065 HA ILE 124 HA ILE 124 17.878 27.633 10.796 1066 HB ILE 124 HB ILE 124 18.302 25.315 10.273 1067 1HG1 ILE 124 1HG1 ILE 124 20.941 26.528 9.720 1068 2HG1 ILE 124 2HG1 ILE 124 20.092 27.112 11.150 1069 1HG2 ILE 124 3HG2 ILE 124 18.254 25.962 7.717 1070 2HG2 ILE 124 1HG2 ILE 124 19.996 26.141 7.948 1071 3HG2 ILE 124 2HG2 ILE 124 19.218 24.586 8.258 1072 1HD1 ILE 124 3HD1 ILE 124 20.269 24.179 10.642 1073 2HD1 ILE 124 1HD1 ILE 124 21.667 25.020 11.331 1074 3HD1 ILE 124 2HD1 ILE 124 20.109 25.042 12.188 1075 H LYS 125 H LYS 125 18.534 27.725 7.362 1076 HA LYS 125 HA LYS 125 20.977 29.139 7.358 1077 1HB LYS 125 1HB LYS 125 18.928 28.425 5.449 1078 2HB LYS 125 2HB LYS 125 19.526 30.054 5.132 1079 1HG LYS 125 1HG LYS 125 21.390 29.179 4.224 1080 2HG LYS 125 2HG LYS 125 21.781 28.441 5.777 1081 1HD LYS 125 1HD LYS 125 21.656 26.571 4.386 1082 2HD LYS 125 2HD LYS 125 20.022 26.632 5.048 1083 1HE LYS 125 1HE LYS 125 19.468 26.495 2.823 1084 2HE LYS 125 2HE LYS 125 19.668 28.244 2.926 1085 1HZ LYS 125 2HZ LYS 125 22.128 26.825 2.472 1086 2HZ LYS 125 3HZ LYS 125 20.997 26.616 1.224 1087 3HZ LYS 125 1HZ LYS 125 21.492 28.179 1.670 1088 H LYS 126 H LYS 126 17.651 30.331 7.620 1089 HA LYS 126 HA LYS 126 18.226 33.111 7.272 1090 1HB LYS 126 1HB LYS 126 15.997 31.526 8.188 1091 2HB LYS 126 2HB LYS 126 16.232 32.893 9.277 1092 1HG LYS 126 1HG LYS 126 15.765 34.452 7.653 1093 2HG LYS 126 2HG LYS 126 16.423 33.451 6.358 1094 1HD LYS 126 1HD LYS 126 13.818 33.818 6.553 1095 2HD LYS 126 2HD LYS 126 14.458 32.233 6.115 1096 1HE LYS 126 1HE LYS 126 14.113 31.362 8.281 1097 2HE LYS 126 2HE LYS 126 13.970 32.968 8.998 1098 1HZ LYS 126 3HZ LYS 126 12.047 32.563 6.939 1099 2HZ LYS 126 1HZ LYS 126 11.913 31.372 8.142 1100 3HZ LYS 126 2HZ LYS 126 11.809 33.012 8.560 1101 H LYS 127 H LYS 127 18.792 30.921 9.878 1102 HA LYS 127 HA LYS 127 19.753 33.128 11.628 1103 1HB LYS 127 1HB LYS 127 18.862 30.299 12.114 1104 2HB LYS 127 2HB LYS 127 19.925 31.102 13.265 1105 1HG LYS 127 1HG LYS 127 17.483 31.336 13.815 1106 2HG LYS 127 2HG LYS 127 18.315 32.876 13.609 1107 1HD LYS 127 1HD LYS 127 17.137 31.730 11.148 1108 2HD LYS 127 2HD LYS 127 15.979 32.256 12.368 1109 1HE LYS 127 1HE LYS 127 18.237 34.107 11.830 1110 2HE LYS 127 2HE LYS 127 17.046 33.942 10.545 1111 1HZ LYS 127 2HZ LYS 127 15.354 34.249 12.426 1112 2HZ LYS 127 3HZ LYS 127 16.660 34.875 13.315 1113 3HZ LYS 127 1HZ LYS 127 16.184 35.616 11.862 1114 H PHE 128 H PHE 128 20.681 30.627 9.530 1115 HA PHE 128 HA PHE 128 23.417 30.467 10.685 1116 1HB PHE 128 1HB PHE 128 21.779 28.722 8.928 1117 2HB PHE 128 2HB PHE 128 23.512 28.773 8.600 1118 HD1 PHE 128 HD2 PHE 128 22.187 29.613 11.842 1119 HD2 PHE 128 HD1 PHE 128 23.886 26.446 9.456 1120 HE1 PHE 128 HE2 PHE 128 22.573 28.280 13.893 1121 HE2 PHE 128 HE1 PHE 128 24.262 25.113 11.541 1122 HZ PHE 128 HZ PHE 128 23.604 26.031 13.748 1123 H GLN 129 H GLN 129 22.385 32.734 9.532 1124 HA GLN 129 HA GLN 129 22.850 33.512 6.963 1125 1HB GLN 129 1HB GLN 129 24.278 35.003 9.154 1126 2HB GLN 129 2HB GLN 129 23.469 35.656 7.729 1127 1HG GLN 129 1HG GLN 129 22.070 34.217 10.001 1128 2HG GLN 129 2HG GLN 129 22.134 35.969 9.809 1129 1HE2 GLN 129 2HE2 GLN 129 19.173 35.760 7.889 1130 2HE2 GLN 129 1HE2 GLN 129 19.965 36.450 9.221 1131 H GLY 130 H GLY 130 25.502 33.141 9.329 1132 1HA GLY 130 1HA GLY 130 27.369 32.713 7.026 1133 2HA GLY 130 2HA GLY 130 27.869 33.418 8.569 1134 H ILE 131 H ILE 131 26.672 30.438 7.069 1135 HA ILE 131 HA ILE 131 26.894 28.792 9.353 1136 HB ILE 131 HB ILE 131 26.174 28.537 6.612 1137 1HG1 ILE 131 1HG1 ILE 131 24.670 27.632 8.119 1138 2HG1 ILE 131 2HG1 ILE 131 25.484 26.214 7.459 1139 1HG2 ILE 131 2HG2 ILE 131 28.461 27.557 6.419 1140 2HG2 ILE 131 3HG2 ILE 131 27.937 26.340 7.606 1141 3HG2 ILE 131 1HG2 ILE 131 27.147 26.443 6.037 1142 1HD1 ILE 131 3HD1 ILE 131 27.189 26.605 9.376 1143 2HD1 ILE 131 1HD1 ILE 131 25.862 27.542 10.108 1144 3HD1 ILE 131 2HD1 ILE 131 25.634 25.829 9.748 1145 H LYS 132 H LYS 132 29.154 29.778 6.957 1146 HA LYS 132 HA LYS 132 31.537 29.654 7.061 1147 1HB LYS 132 1HB LYS 132 31.297 27.534 9.206 1148 2HB LYS 132 2HB LYS 132 32.679 28.567 8.838 1149 1HG LYS 132 1HG LYS 132 30.093 29.303 10.175 1150 2HG LYS 132 2HG LYS 132 31.735 29.543 10.767 1151 1HD LYS 132 1HD LYS 132 30.466 30.952 8.405 1152 2HD LYS 132 2HD LYS 132 30.839 31.680 9.968 1153 1HE LYS 132 1HE LYS 132 33.265 30.647 9.346 1154 2HE LYS 132 2HE LYS 132 32.655 30.981 7.726 1155 1HZ LYS 132 3HZ LYS 132 32.414 33.009 9.842 1156 2HZ LYS 132 1HZ LYS 132 33.883 32.823 9.017 1157 3HZ LYS 132 2HZ LYS 132 32.471 33.218 8.158 1158 H HIS 133 H HIS 133 29.694 26.683 7.763 1159 HA HIS 133 HA HIS 133 30.721 25.669 5.151 1160 1HB HIS 133 1HB HIS 133 31.571 24.616 7.767 1161 2HB HIS 133 2HB HIS 133 31.213 23.431 6.505 1162 HD1 HIS 133 HD1 HIS 133 32.106 25.100 4.050 1163 HD2 HIS 133 HD2 HIS 133 34.331 24.714 7.532 1164 HE1 HIS 133 HE1 HIS 133 34.495 25.659 3.436 1165 H GLU 134 H GLU 134 28.516 25.587 4.443 1166 HA GLU 134 HA GLU 134 26.630 23.890 5.837 1167 1HB GLU 134 1HB GLU 134 25.314 25.086 4.530 1168 2HB GLU 134 2HB GLU 134 26.608 25.477 3.403 1169 1HG GLU 134 1HG GLU 134 26.294 23.477 2.181 1170 2HG GLU 134 2HG GLU 134 25.389 22.724 3.500 1171 H CYS 135 H CYS 135 27.297 21.902 6.073 1172 HA CYS 135 HA CYS 135 28.171 20.349 3.655 1173 1HB CYS 135 1HB CYS 135 29.984 20.817 5.453 1174 2HB CYS 135 2HB CYS 135 29.099 19.657 6.450 1175 HG CYS 135 HG CYS 135 30.149 17.853 5.143 1176 H GLN 136 H GLN 136 27.595 18.059 3.672 1177 HA GLN 136 HA GLN 136 25.458 17.397 5.620 1178 1HB GLN 136 1HB GLN 136 25.027 17.792 2.873 1179 2HB GLN 136 2HB GLN 136 25.030 16.038 3.101 1180 1HG GLN 136 1HG GLN 136 23.582 16.702 5.239 1181 2HG GLN 136 2HG GLN 136 23.183 18.089 4.234 1182 1HE2 GLN 136 2HE2 GLN 136 20.607 15.673 3.409 1183 2HE2 GLN 136 1HE2 GLN 136 21.001 16.826 4.601 1184 H ALA 137 H ALA 137 25.468 15.346 6.421 1185 HA ALA 137 HA ALA 137 27.850 13.763 5.739 1186 1HB ALA 137 2HB ALA 137 26.036 13.639 8.136 1187 2HB ALA 137 3HB ALA 137 27.446 12.616 7.896 1188 3HB ALA 137 1HB ALA 137 27.640 14.354 8.089 1189 H ASN 138 H ASN 138 25.372 12.173 7.265 1190 HA ASN 138 HA ASN 138 23.633 10.701 6.522 1191 1HB ASN 138 1HB ASN 138 24.962 10.859 3.804 1192 2HB ASN 138 2HB ASN 138 23.572 9.855 4.235 1193 1HD2 ASN 138 2HD2 ASN 138 22.964 13.918 3.884 1194 2HD2 ASN 138 1HD2 ASN 138 24.549 13.337 3.965 1195 H GLY 139 H GLY 139 26.416 10.674 7.440 1196 1HA GLY 139 1HA GLY 139 26.783 7.998 8.115 1197 2HA GLY 139 2HA GLY 139 27.858 8.353 6.736 1198 HA PRO 140 HA PRO 140 28.960 10.803 10.702 1199 1HB PRO 140 1HB PRO 140 30.463 8.978 12.141 1200 2HB PRO 140 2HB PRO 140 28.750 9.321 12.445 1201 1HG PRO 140 1HG PRO 140 29.982 6.989 11.039 1202 2HG PRO 140 2HG PRO 140 28.510 7.056 12.020 1203 1HD PRO 140 1HD PRO 140 28.525 7.008 9.229 1204 2HD PRO 140 2HD PRO 140 27.184 7.650 10.201 1205 H GLU 141 H GLU 141 30.193 9.075 8.165 1206 HA GLU 141 HA GLU 141 33.019 9.810 8.519 1207 1HB GLU 141 1HB GLU 141 33.260 7.849 7.432 1208 2HB GLU 141 2HB GLU 141 31.516 7.762 7.127 1209 1HG GLU 141 1HG GLU 141 31.742 9.255 5.213 1210 2HG GLU 141 2HG GLU 141 33.470 9.429 5.525 1211 H ASP 142 H ASP 142 30.087 10.982 6.907 1212 HA ASP 142 HA ASP 142 31.645 12.289 4.801 1213 1HB ASP 142 1HB ASP 142 28.802 12.228 5.656 1214 2HB ASP 142 2HB ASP 142 29.349 13.681 4.807 1215 H LEU 143 H LEU 143 31.101 12.732 8.089 1216 HA LEU 143 HA LEU 143 31.584 15.631 8.088 1217 1HB LEU 143 1HB LEU 143 31.460 13.674 10.390 1218 2HB LEU 143 2HB LEU 143 31.430 15.435 10.511 1219 HG LEU 143 HG LEU 143 29.379 15.238 8.898 1220 1HD1 LEU 143 1HD1 LEU 143 29.843 12.448 9.871 1221 2HD1 LEU 143 2HD1 LEU 143 28.179 13.006 9.686 1222 3HD1 LEU 143 3HD1 LEU 143 29.272 13.012 8.301 1223 1HD2 LEU 143 1HD2 LEU 143 29.658 15.590 11.595 1224 2HD2 LEU 143 2HD2 LEU 143 28.119 15.677 10.741 1225 3HD2 LEU 143 3HD2 LEU 143 28.599 14.180 11.543 1226 H ASN 144 H ASN 144 33.325 13.105 7.299 1227 HA ASN 144 HA ASN 144 35.510 12.567 8.683 1228 1HB ASN 144 1HB ASN 144 34.989 12.044 6.242 1229 2HB ASN 144 2HB ASN 144 35.735 13.587 5.888 1230 1HD2 ASN 144 2HD2 ASN 144 38.383 11.220 7.780 1231 2HD2 ASN 144 1HD2 ASN 144 36.900 11.576 8.515 1232 H ARG 145 H ARG 145 37.597 13.490 8.734 1233 HA ARG 145 HA ARG 145 37.492 16.410 9.063 1234 1HB ARG 145 1HB ARG 145 40.108 15.707 9.592 1235 2HB ARG 145 2HB ARG 145 38.852 15.929 10.800 1236 1HG ARG 145 1HG ARG 145 38.710 13.702 11.236 1237 2HG ARG 145 2HG ARG 145 38.872 13.258 9.533 1238 1HD ARG 145 1HD ARG 145 41.228 13.407 9.595 1239 2HD ARG 145 2HD ARG 145 41.215 14.315 11.108 1240 HE ARG 145 HE ARG 145 40.149 12.031 11.986 1241 1HH1 ARG 145 1HH2 ARG 145 40.736 10.245 9.867 1242 2HH1 ARG 145 2HH2 ARG 145 42.378 9.758 10.121 1243 1HH2 ARG 145 1HH1 ARG 145 43.114 12.398 12.244 1244 2HH2 ARG 145 2HH1 ARG 145 43.724 10.976 11.465 1245 H ALA 146 H ALA 146 38.779 13.913 7.049 1246 HA ALA 146 HA ALA 146 40.616 15.550 5.512 1247 1HB ALA 146 1HB ALA 146 40.441 12.954 5.635 1248 2HB ALA 146 2HB ALA 146 39.111 13.146 4.478 1249 3HB ALA 146 3HB ALA 146 40.744 13.680 4.055 1250 H CYS 147 H CYS 147 37.271 14.636 5.505 1251 HA CYS 147 HA CYS 147 36.598 15.968 2.959 1252 1HB CYS 147 1HB CYS 147 35.443 13.994 4.191 1253 2HB CYS 147 2HB CYS 147 34.678 15.295 5.146 1254 HG CYS 147 HG CYS 147 34.246 14.823 2.077 1255 H ILE 148 H ILE 148 36.406 16.593 6.388 1256 HA ILE 148 HA ILE 148 35.052 19.089 5.992 1257 HB ILE 148 HB ILE 148 36.469 17.704 8.250 1258 1HG1 ILE 148 1HG1 ILE 148 34.418 16.986 8.854 1259 2HG1 ILE 148 2HG1 ILE 148 33.700 18.568 8.644 1260 1HG2 ILE 148 2HG2 ILE 148 35.418 20.491 8.002 1261 2HG2 ILE 148 3HG2 ILE 148 35.538 19.699 9.576 1262 3HG2 ILE 148 1HG2 ILE 148 36.981 19.939 8.587 1263 1HD1 ILE 148 2HD1 ILE 148 34.274 16.572 6.449 1264 2HD1 ILE 148 3HD1 ILE 148 32.693 16.842 7.183 1265 3HD1 ILE 148 1HD1 ILE 148 33.461 18.131 6.234 1266 H ALA 149 H ALA 149 38.048 17.657 5.615 1267 HA ALA 149 HA ALA 149 39.700 20.121 5.629 1268 1HB ALA 149 1HB ALA 149 40.306 17.224 5.042 1269 2HB ALA 149 2HB ALA 149 41.499 18.509 4.967 1270 3HB ALA 149 3HB ALA 149 40.751 18.088 6.506 1271 H GLU 150 H GLU 150 37.432 19.416 3.983 1272 HA GLU 150 HA GLU 150 38.472 19.872 1.270 1273 1HB GLU 150 1HB GLU 150 37.424 17.996 0.612 1274 2HB GLU 150 2HB GLU 150 36.827 17.699 2.243 1275 1HG GLU 150 1HG GLU 150 34.855 18.992 1.857 1276 2HG GLU 150 2HG GLU 150 35.518 19.703 0.385 1277 H LYS 151 H LYS 151 35.938 20.151 3.719 1278 HA LYS 151 HA LYS 151 34.310 22.167 2.603 1279 1HB LYS 151 1HB LYS 151 34.945 20.898 5.175 1280 2HB LYS 151 2HB LYS 151 34.658 22.632 5.361 1281 1HG LYS 151 1HG LYS 151 32.646 21.153 5.587 1282 2HG LYS 151 2HG LYS 151 32.493 22.463 4.424 1283 1HD LYS 151 1HD LYS 151 33.557 20.326 2.958 1284 2HD LYS 151 2HD LYS 151 32.340 19.590 4.003 1285 1HE LYS 151 1HE LYS 151 30.673 21.234 3.241 1286 2HE LYS 151 2HE LYS 151 31.885 22.001 2.215 1287 1HZ LYS 151 1HZ LYS 151 32.119 19.913 1.010 1288 2HZ LYS 151 2HZ LYS 151 30.922 19.203 1.983 1289 3HZ LYS 151 3HZ LYS 151 30.520 20.483 0.946 1290 H LEU 152 H LEU 152 37.126 22.079 4.655 1291 HA LEU 152 HA LEU 152 37.757 24.929 4.120 1292 1HB LEU 152 1HB LEU 152 39.185 23.260 6.160 1293 2HB LEU 152 2HB LEU 152 38.807 24.979 6.195 1294 HG LEU 152 HG LEU 152 36.357 23.435 6.140 1295 1HD1 LEU 152 1HD1 LEU 152 38.288 21.967 7.393 1296 2HD1 LEU 152 2HD1 LEU 152 37.728 22.971 8.728 1297 3HD1 LEU 152 3HD1 LEU 152 36.587 21.940 7.864 1298 1HD2 LEU 152 2HD2 LEU 152 37.682 25.319 8.095 1299 2HD2 LEU 152 3HD2 LEU 152 36.495 25.733 6.862 1300 3HD2 LEU 152 1HD2 LEU 152 36.022 24.751 8.253 1301 H GLY 153 H GLY 153 38.956 21.583 3.923 1302 1HA GLY 153 1HA GLY 153 41.570 22.501 2.888 1303 2HA GLY 153 2HA GLY 153 41.114 20.855 3.262 1304 H GLY 154 H GLY 154 38.681 22.293 1.682 1305 1HA GLY 154 1HA GLY 154 39.561 21.184 -0.958 1306 2HA GLY 154 2HA GLY 154 37.865 21.347 -0.468 1307 H SER 155 H SER 155 40.034 23.789 0.503 1308 HA SER 155 HA SER 155 39.398 25.569 -1.753 1309 1HB SER 155 1HB SER 155 37.776 25.517 0.507 1310 2HB SER 155 2HB SER 155 38.861 26.868 0.805 1311 HG SER 155 HG SER 155 37.404 27.805 -0.445 1312 H LEU 156 H LEU 156 40.438 26.382 1.554 1313 HA LEU 156 HA LEU 156 43.248 26.673 0.690 1314 1HB LEU 156 1HB LEU 156 42.002 29.126 1.825 1315 2HB LEU 156 2HB LEU 156 43.388 28.969 0.751 1316 HG LEU 156 HG LEU 156 41.696 28.129 -0.987 1317 1HD1 LEU 156 3HD1 LEU 156 39.944 28.342 1.140 1318 2HD1 LEU 156 1HD1 LEU 156 39.587 29.760 0.151 1319 3HD1 LEU 156 2HD1 LEU 156 39.506 28.146 -0.561 1320 1HD2 LEU 156 2HD2 LEU 156 41.906 30.958 0.000 1321 2HD2 LEU 156 3HD2 LEU 156 42.690 30.222 -1.398 1322 3HD2 LEU 156 1HD2 LEU 156 40.961 30.567 -1.438 1323 H ILE 157 H ILE 157 43.079 25.005 2.729 1324 HA ILE 157 HA ILE 157 43.313 26.805 5.073 1325 HB ILE 157 HB ILE 157 42.983 24.738 6.452 1326 1HG1 ILE 157 1HG1 ILE 157 41.994 23.679 3.808 1327 2HG1 ILE 157 2HG1 ILE 157 43.482 23.127 4.611 1328 1HG2 ILE 157 1HG2 ILE 157 41.129 26.390 5.013 1329 2HG2 ILE 157 2HG2 ILE 157 40.463 24.776 5.210 1330 3HG2 ILE 157 3HG2 ILE 157 40.971 25.687 6.622 1331 1HD1 ILE 157 3HD1 ILE 157 41.715 23.054 6.647 1332 2HD1 ILE 157 1HD1 ILE 157 40.679 22.615 5.278 1333 3HD1 ILE 157 2HD1 ILE 157 42.115 21.662 5.631 1334 H VAL 158 H VAL 158 44.574 24.085 6.123 1335 HA VAL 158 HA VAL 158 47.154 23.937 4.927 1336 HB VAL 158 HB VAL 158 46.747 25.789 7.266 1337 1HG1 VAL 158 2HG1 VAL 158 49.078 23.952 6.770 1338 2HG1 VAL 158 3HG1 VAL 158 49.330 25.521 7.531 1339 3HG1 VAL 158 1HG1 VAL 158 48.274 24.331 8.292 1340 1HG2 VAL 158 3HG2 VAL 158 48.145 25.808 4.621 1341 2HG2 VAL 158 1HG2 VAL 158 47.161 27.059 5.381 1342 3HG2 VAL 158 2HG2 VAL 158 48.819 26.789 5.923 1343 H ALA 159 H ALA 159 45.026 23.607 7.648 1344 HA ALA 159 HA ALA 159 46.248 20.978 8.347 1345 1HB ALA 159 3HB ALA 159 44.843 23.009 10.082 1346 2HB ALA 159 1HB ALA 159 45.260 21.376 10.603 1347 3HB ALA 159 2HB ALA 159 46.535 22.521 10.195 1348 H PHE 160 H PHE 160 44.780 19.372 8.883 1349 HA PHE 160 HA PHE 160 42.661 18.274 8.909 1350 1HB PHE 160 1HB PHE 160 41.787 20.977 8.564 1351 2HB PHE 160 2HB PHE 160 41.055 20.008 7.282 1352 HD1 PHE 160 HD1 PHE 160 42.052 19.363 10.804 1353 HD2 PHE 160 HD2 PHE 160 38.927 19.315 7.887 1354 HE1 PHE 160 HE1 PHE 160 40.507 18.400 12.495 1355 HE2 PHE 160 HE2 PHE 160 37.373 18.355 9.571 1356 HZ PHE 160 HZ PHE 160 38.158 17.894 11.870 1357 H GLU 161 H GLU 161 43.596 20.346 6.292 1358 HA GLU 161 HA GLU 161 43.452 18.111 4.359 1359 1HB GLU 161 1HB GLU 161 42.664 20.753 4.085 1360 2HB GLU 161 2HB GLU 161 44.284 20.774 3.394 1361 1HG GLU 161 1HG GLU 161 42.723 18.429 2.579 1362 2HG GLU 161 2HG GLU 161 42.017 19.948 2.047 1363 H GLY 162 H GLY 162 45.531 20.035 6.384 1364 1HA GLY 162 1HA GLY 162 47.874 18.934 4.863 1365 2HA GLY 162 2HA GLY 162 47.899 20.537 5.559 1366 H CYS 163 H CYS 163 47.893 20.652 8.008 1367 HA CYS 163 HA CYS 163 49.854 19.025 9.112 1368 1HB CYS 163 1HB CYS 163 47.997 21.015 10.190 1369 2HB CYS 163 2HB CYS 163 48.658 19.878 11.367 1370 HG CYS 163 HG CYS 163 51.057 20.624 10.703 1371 HA PRO 164 HA PRO 164 47.014 16.286 11.653 1372 1HB PRO 164 1HB PRO 164 44.304 16.798 11.567 1373 2HB PRO 164 2HB PRO 164 45.401 17.433 12.809 1374 1HG PRO 164 1HG PRO 164 44.222 18.814 10.435 1375 2HG PRO 164 2HG PRO 164 44.661 19.484 12.012 1376 1HD PRO 164 1HD PRO 164 46.246 19.811 9.741 1377 2HD PRO 164 2HD PRO 164 46.852 19.862 11.400 1378 H VAL 165 H VAL 165 45.512 17.468 8.664 1379 HA VAL 165 HA VAL 165 45.752 14.748 7.559 1380 HB VAL 165 HB VAL 165 43.130 15.230 6.798 1381 1HG1 VAL 165 1HG1 VAL 165 44.184 13.567 9.105 1382 2HG1 VAL 165 2HG1 VAL 165 42.619 13.347 8.322 1383 3HG1 VAL 165 3HG1 VAL 165 44.104 13.071 7.414 1384 1HG2 VAL 165 3HG2 VAL 165 43.550 16.716 9.215 1385 2HG2 VAL 165 1HG2 VAL 165 42.038 16.424 8.365 1386 3HG2 VAL 165 2HG2 VAL 165 42.584 15.301 9.607 No H/Q in entry = 1386 Start of MODEL 5 1 1H THR -8 1H THR -8 9.347 23.726 -14.016 2 2H THR -8 2H THR -8 8.300 23.856 -15.348 3 3H THR -8 3H THR -8 9.341 22.523 -15.216 4 HA THR -8 HA THR -8 11.253 23.831 -15.611 5 HB THR -8 HB THR -8 10.623 24.928 -17.808 6 HG1 THR -8 HG1 THR -8 8.254 24.082 -18.182 7 1HG2 THR -8 3HG2 THR -8 10.855 22.295 -17.157 8 2HG2 THR -8 1HG2 THR -8 9.241 22.315 -17.865 9 3HG2 THR -8 2HG2 THR -8 10.622 22.881 -18.805 10 H MET -7 H MET -7 8.561 25.566 -14.418 11 HA MET -7 HA MET -7 10.274 27.972 -14.079 12 1HB MET -7 1HB MET -7 7.556 27.900 -15.395 13 2HB MET -7 2HB MET -7 8.197 29.369 -14.660 14 1HG MET -7 1HG MET -7 9.865 27.825 -16.629 15 2HG MET -7 2HG MET -7 8.622 28.936 -17.204 16 1HE MET -7 3HE MET -7 8.429 31.170 -15.219 17 2HE MET -7 1HE MET -7 9.600 32.345 -15.810 18 3HE MET -7 2HE MET -7 8.602 31.436 -16.952 19 H ILE -6 H ILE -6 7.307 26.220 -13.220 20 HA ILE -6 HA ILE -6 6.909 27.900 -10.837 21 HB ILE -6 HB ILE -6 5.444 25.374 -11.623 22 1HG1 ILE -6 1HG1 ILE -6 5.367 27.043 -13.450 23 2HG1 ILE -6 2HG1 ILE -6 3.792 26.867 -12.679 24 1HG2 ILE -6 2HG2 ILE -6 5.282 26.377 -9.254 25 2HG2 ILE -6 3HG2 ILE -6 4.425 27.718 -10.020 26 3HG2 ILE -6 1HG2 ILE -6 3.768 26.083 -10.112 27 1HD1 ILE -6 2HD1 ILE -6 5.719 28.971 -11.722 28 2HD1 ILE -6 3HD1 ILE -6 4.699 29.271 -13.126 29 3HD1 ILE -6 1HD1 ILE -6 3.964 28.925 -11.562 30 H THR -5 H THR -5 7.150 27.217 -8.722 31 HA THR -5 HA THR -5 8.676 24.677 -8.347 32 HB THR -5 HB THR -5 9.010 26.381 -6.090 33 HG1 THR -5 HG1 THR -5 8.733 28.237 -7.066 34 1HG2 THR -5 3HG2 THR -5 10.531 24.657 -7.383 35 2HG2 THR -5 1HG2 THR -5 11.071 26.095 -8.248 36 3HG2 THR -5 2HG2 THR -5 11.267 25.993 -6.499 37 HA PRO -4 HA PRO -4 5.151 23.484 -5.972 38 1HB PRO -4 1HB PRO -4 6.287 21.269 -4.794 39 2HB PRO -4 2HB PRO -4 5.699 21.307 -6.467 40 1HG PRO -4 1HG PRO -4 8.509 21.399 -5.456 41 2HG PRO -4 2HG PRO -4 7.887 20.762 -6.988 42 1HD PRO -4 1HD PRO -4 9.170 23.244 -6.675 43 2HD PRO -4 2HD PRO -4 8.160 22.781 -8.062 44 H SER -3 H SER -3 4.766 22.744 -3.571 45 HA SER -3 HA SER -3 5.536 24.840 -1.832 46 1HB SER -3 1HB SER -3 4.615 23.423 -0.032 47 2HB SER -3 2HB SER -3 3.565 23.415 -1.446 48 HG SER -3 HG SER -3 4.167 21.315 -0.407 49 H SER -2 H SER -2 6.976 24.841 -0.019 50 HA SER -2 HA SER -2 8.775 22.727 0.636 51 1HB SER -2 1HB SER -2 9.491 23.703 -1.780 52 2HB SER -2 2HB SER -2 10.353 24.839 -0.747 53 HG SER -2 HG SER -2 10.484 22.142 -0.071 54 H GLY -1 H GLY -1 8.697 23.316 2.759 55 1HA GLY -1 1HA GLY -1 10.234 25.087 4.087 56 2HA GLY -1 2HA GLY -1 8.940 26.156 3.536 57 H ASN 0 H ASN 0 9.350 22.989 5.105 58 HA ASN 0 HA ASN 0 8.320 22.105 7.015 59 1HB ASN 0 1HB ASN 0 8.050 23.762 8.510 60 2HB ASN 0 2HB ASN 0 7.728 24.954 7.257 61 1HD2 ASN 0 2HD2 ASN 0 4.186 24.687 7.542 62 2HD2 ASN 0 1HD2 ASN 0 5.468 25.288 6.605 63 H SER 1 H SER 1 6.664 23.309 4.231 64 HA SER 1 HA SER 1 4.013 22.391 4.774 65 1HB SER 1 1HB SER 1 4.593 23.719 2.747 66 2HB SER 1 2HB SER 1 5.537 22.363 2.137 67 HG SER 1 HG SER 1 2.933 22.810 1.895 68 H ALA 2 H ALA 2 6.470 20.750 2.762 69 HA ALA 2 HA ALA 2 5.344 18.122 3.379 70 1HB ALA 2 3HB ALA 2 6.678 18.804 1.248 71 2HB ALA 2 1HB ALA 2 8.112 18.649 2.263 72 3HB ALA 2 2HB ALA 2 7.072 17.252 1.986 73 H SER 3 H SER 3 8.142 20.090 4.258 74 HA SER 3 HA SER 3 9.167 18.279 6.274 75 1HB SER 3 1HB SER 3 9.611 21.280 6.070 76 2HB SER 3 2HB SER 3 10.690 20.091 6.791 77 HG SER 3 HG SER 3 10.886 19.187 4.658 78 H GLY 4 H GLY 4 9.354 20.604 8.229 79 1HA GLY 4 1HA GLY 4 6.776 21.502 8.984 80 2HA GLY 4 2HA GLY 4 7.068 19.984 9.831 81 H VAL 5 H VAL 5 9.798 22.011 9.102 82 HA VAL 5 HA VAL 5 10.029 22.581 11.976 83 HB VAL 5 HB VAL 5 12.005 21.584 11.593 84 1HG1 VAL 5 1HG1 VAL 5 11.270 20.912 9.324 85 2HG1 VAL 5 2HG1 VAL 5 11.890 22.445 8.710 86 3HG1 VAL 5 3HG1 VAL 5 12.995 21.261 9.413 87 1HG2 VAL 5 3HG2 VAL 5 12.585 24.239 10.272 88 2HG2 VAL 5 1HG2 VAL 5 12.669 23.901 12.002 89 3HG2 VAL 5 2HG2 VAL 5 13.798 23.124 10.896 90 H GLN 6 H GLN 6 11.079 24.573 12.592 91 HA GLN 6 HA GLN 6 10.825 26.803 10.695 92 1HB GLN 6 1HB GLN 6 9.417 28.040 12.330 93 2HB GLN 6 2HB GLN 6 8.632 26.577 11.719 94 1HG GLN 6 1HG GLN 6 10.181 25.686 13.803 95 2HG GLN 6 2HG GLN 6 9.489 27.194 14.407 96 1HE2 GLN 6 2HE2 GLN 6 6.958 24.121 13.400 97 2HE2 GLN 6 1HE2 GLN 6 8.498 24.190 12.698 98 H VAL 7 H VAL 7 13.197 25.642 12.059 99 HA VAL 7 HA VAL 7 15.060 26.382 13.335 100 HB VAL 7 HB VAL 7 13.818 29.051 12.641 101 1HG1 VAL 7 3HG1 VAL 7 16.447 28.158 13.759 102 2HG1 VAL 7 1HG1 VAL 7 16.480 29.456 12.568 103 3HG1 VAL 7 2HG1 VAL 7 15.559 29.652 14.057 104 1HG2 VAL 7 2HG2 VAL 7 14.407 27.130 10.876 105 2HG2 VAL 7 3HG2 VAL 7 14.686 28.840 10.527 106 3HG2 VAL 7 1HG2 VAL 7 16.022 27.819 11.068 107 H ALA 8 H ALA 8 15.609 27.730 15.270 108 HA ALA 8 HA ALA 8 13.299 27.723 17.156 109 1HB ALA 8 2HB ALA 8 15.679 26.194 16.967 110 2HB ALA 8 3HB ALA 8 15.854 27.230 18.388 111 3HB ALA 8 1HB ALA 8 14.474 26.134 18.264 112 H ASP 9 H ASP 9 15.941 29.470 15.851 113 HA ASP 9 HA ASP 9 16.485 31.760 16.192 114 1HB ASP 9 1HB ASP 9 15.120 31.600 18.879 115 2HB ASP 9 2HB ASP 9 15.608 33.037 17.987 116 H GLU 10 H GLU 10 16.634 29.281 18.660 117 HA GLU 10 HA GLU 10 18.970 30.338 19.986 118 1HB GLU 10 1HB GLU 10 18.345 28.679 21.407 119 2HB GLU 10 2HB GLU 10 17.237 28.018 20.205 120 1HG GLU 10 1HG GLU 10 18.994 26.726 19.184 121 2HG GLU 10 2HG GLU 10 20.223 27.522 20.168 122 H VAL 11 H VAL 11 18.226 28.979 16.959 123 HA VAL 11 HA VAL 11 20.714 27.636 16.375 124 HB VAL 11 HB VAL 11 18.607 27.312 15.094 125 1HG1 VAL 11 2HG1 VAL 11 19.116 30.197 14.424 126 2HG1 VAL 11 3HG1 VAL 11 18.190 29.162 13.340 127 3HG1 VAL 11 1HG1 VAL 11 17.626 29.440 14.990 128 1HG2 VAL 11 3HG2 VAL 11 21.017 27.014 14.165 129 2HG2 VAL 11 1HG2 VAL 11 19.683 27.043 13.012 130 3HG2 VAL 11 2HG2 VAL 11 20.678 28.481 13.245 131 H CYS 12 H CYS 12 19.508 30.898 16.386 132 HA CYS 12 HA CYS 12 21.726 32.012 14.859 133 1HB CYS 12 1HB CYS 12 19.282 32.966 15.869 134 2HB CYS 12 2HB CYS 12 20.517 33.877 16.739 135 HG CYS 12 HG CYS 12 20.708 33.709 13.632 136 H ARG 13 H ARG 13 21.761 30.471 17.762 137 HA ARG 13 HA ARG 13 23.966 32.198 18.819 138 1HB ARG 13 1HB ARG 13 22.144 30.283 20.300 139 2HB ARG 13 2HB ARG 13 23.708 30.816 20.945 140 1HG ARG 13 1HG ARG 13 22.326 33.142 20.051 141 2HG ARG 13 2HG ARG 13 21.185 32.197 21.010 142 1HD ARG 13 1HD ARG 13 23.887 33.255 21.844 143 2HD ARG 13 2HD ARG 13 22.321 33.542 22.601 144 HE ARG 13 HE ARG 13 23.954 31.089 22.880 145 1HH1 ARG 13 1HH2 ARG 13 21.999 33.221 24.486 146 2HH1 ARG 13 2HH2 ARG 13 21.050 32.032 25.316 147 1HH2 ARG 13 1HH1 ARG 13 22.308 29.365 23.495 148 2HH2 ARG 13 2HH1 ARG 13 21.224 29.855 24.755 149 H ILE 14 H ILE 14 23.169 29.422 17.151 150 HA ILE 14 HA ILE 14 25.385 27.889 18.237 151 HB ILE 14 HB ILE 14 23.588 27.289 15.887 152 1HG1 ILE 14 1HG1 ILE 14 23.280 26.157 18.665 153 2HG1 ILE 14 2HG1 ILE 14 22.442 27.625 18.155 154 1HG2 ILE 14 2HG2 ILE 14 25.912 25.983 16.950 155 2HG2 ILE 14 3HG2 ILE 14 24.502 24.973 17.317 156 3HG2 ILE 14 1HG2 ILE 14 24.844 25.433 15.651 157 1HD1 ILE 14 1HD1 ILE 14 21.892 26.019 16.035 158 2HD1 ILE 14 2HD1 ILE 14 21.994 24.814 17.325 159 3HD1 ILE 14 3HD1 ILE 14 20.849 26.146 17.454 160 H PHE 15 H PHE 15 24.378 29.076 15.056 161 HA PHE 15 HA PHE 15 26.958 28.876 13.829 162 1HB PHE 15 1HB PHE 15 25.740 29.725 12.101 163 2HB PHE 15 2HB PHE 15 24.396 30.030 13.216 164 HD1 PHE 15 HD1 PHE 15 24.317 32.137 14.524 165 HD2 PHE 15 HD2 PHE 15 27.183 31.487 11.402 166 HE1 PHE 15 HE1 PHE 15 24.770 34.563 14.454 167 HE2 PHE 15 HE2 PHE 15 27.638 33.930 11.315 168 HZ PHE 15 HZ PHE 15 26.430 35.470 12.842 169 H TYR 16 H TYR 16 25.606 30.881 16.251 170 HA TYR 16 HA TYR 16 27.677 32.957 16.104 171 1HB TYR 16 1HB TYR 16 25.630 33.932 16.578 172 2HB TYR 16 2HB TYR 16 25.030 32.433 17.343 173 HD1 TYR 16 HD2 TYR 16 25.609 31.855 19.581 174 HD2 TYR 16 HD1 TYR 16 26.963 35.539 17.894 175 HE1 TYR 16 HE2 TYR 16 26.269 32.592 21.795 176 HE2 TYR 16 HE1 TYR 16 27.628 36.314 20.150 177 HH TYR 16 HH TYR 16 28.288 34.776 22.514 178 H ASP 17 H ASP 17 26.788 30.084 17.877 179 HA ASP 17 HA ASP 17 27.966 30.746 20.403 180 1HB ASP 17 1HB ASP 17 26.836 28.384 19.151 181 2HB ASP 17 2HB ASP 17 28.268 27.972 20.088 182 H MET 18 H MET 18 29.186 30.001 17.375 183 HA MET 18 HA MET 18 31.942 29.578 18.352 184 1HB MET 18 1HB MET 18 31.913 28.391 15.949 185 2HB MET 18 2HB MET 18 31.636 27.544 17.463 186 1HG MET 18 1HG MET 18 29.348 28.898 16.046 187 2HG MET 18 2HG MET 18 29.848 27.282 15.573 188 1HE MET 18 2HE MET 18 29.842 25.389 16.789 189 2HE MET 18 3HE MET 18 30.873 26.068 18.048 190 3HE MET 18 1HE MET 18 29.443 25.125 18.500 191 H LYS 19 H LYS 19 30.184 31.913 17.145 192 HA LYS 19 HA LYS 19 31.239 32.649 14.636 193 1HB LYS 19 1HB LYS 19 29.327 33.715 16.018 194 2HB LYS 19 2HB LYS 19 30.589 34.697 16.748 195 1HG LYS 19 1HG LYS 19 29.886 36.007 14.926 196 2HG LYS 19 2HG LYS 19 31.311 35.181 14.292 197 1HD LYS 19 1HD LYS 19 29.532 33.340 13.609 198 2HD LYS 19 2HD LYS 19 28.419 34.707 13.683 199 1HE LYS 19 1HE LYS 19 30.967 35.232 12.270 200 2HE LYS 19 2HE LYS 19 29.887 34.085 11.476 201 1HZ LYS 19 3HZ LYS 19 28.582 36.437 12.528 202 2HZ LYS 19 1HZ LYS 19 29.683 36.754 11.278 203 3HZ LYS 19 2HZ LYS 19 28.399 35.671 11.022 204 H VAL 20 H VAL 20 32.207 34.562 17.507 205 HA VAL 20 HA VAL 20 34.991 34.464 16.428 206 HB VAL 20 HB VAL 20 33.598 36.745 17.845 207 1HG1 VAL 20 2HG1 VAL 20 36.352 36.109 17.643 208 2HG1 VAL 20 3HG1 VAL 20 36.058 37.423 16.502 209 3HG1 VAL 20 1HG1 VAL 20 35.638 37.621 18.205 210 1HG2 VAL 20 2HG2 VAL 20 33.174 36.048 15.299 211 2HG2 VAL 20 3HG2 VAL 20 33.314 37.740 15.777 212 3HG2 VAL 20 1HG2 VAL 20 34.698 36.907 15.070 213 H ARG 21 H ARG 21 34.673 36.217 19.301 214 HA ARG 21 HA ARG 21 35.851 33.946 20.808 215 1HB ARG 21 1HB ARG 21 36.040 36.926 21.343 216 2HB ARG 21 2HB ARG 21 36.857 35.661 22.260 217 1HG ARG 21 1HG ARG 21 37.340 36.501 19.399 218 2HG ARG 21 2HG ARG 21 38.495 36.435 20.731 219 1HD ARG 21 1HD ARG 21 37.167 34.066 19.384 220 2HD ARG 21 2HD ARG 21 38.870 34.521 19.271 221 HE ARG 21 HE ARG 21 37.770 33.924 21.963 222 1HH1 ARG 21 1HH2 ARG 21 39.173 32.564 19.171 223 2HH1 ARG 21 2HH2 ARG 21 40.318 31.596 20.037 224 1HH2 ARG 21 1HH1 ARG 21 39.477 32.908 23.135 225 2HH2 ARG 21 2HH1 ARG 21 40.490 31.791 22.284 226 H LYS 22 H LYS 22 34.078 36.908 21.643 227 HA LYS 22 HA LYS 22 32.505 37.224 23.394 228 1HB LYS 22 1HB LYS 22 31.399 34.870 21.833 229 2HB LYS 22 2HB LYS 22 30.473 35.780 23.027 230 1HG LYS 22 1HG LYS 22 30.225 37.582 21.656 231 2HG LYS 22 2HG LYS 22 31.855 37.429 20.997 232 1HD LYS 22 1HD LYS 22 31.139 35.569 19.576 233 2HD LYS 22 2HD LYS 22 29.521 35.631 20.275 234 1HE LYS 22 1HE LYS 22 29.000 37.060 18.605 235 2HE LYS 22 2HE LYS 22 29.981 38.250 19.459 236 1HZ LYS 22 3HZ LYS 22 31.505 36.392 17.873 237 2HZ LYS 22 1HZ LYS 22 30.453 37.362 16.958 238 3HZ LYS 22 2HZ LYS 22 31.615 38.082 17.967 239 H CYS 23 H CYS 23 34.678 35.899 24.445 240 HA CYS 23 HA CYS 23 33.451 33.746 26.133 241 1HB CYS 23 1HB CYS 23 36.276 33.633 26.284 242 2HB CYS 23 2HB CYS 23 35.167 32.442 25.619 243 HG CYS 23 HG CYS 23 37.005 34.123 23.977 244 H SER 24 H SER 24 32.915 34.748 28.041 245 HA SER 24 HA SER 24 33.875 36.977 29.358 246 1HB SER 24 1HB SER 24 32.554 34.566 30.062 247 2HB SER 24 2HB SER 24 33.886 34.743 31.205 248 HG SER 24 HG SER 24 31.764 35.825 31.677 249 H THR 25 H THR 25 34.954 33.836 29.975 250 HA THR 25 HA THR 25 37.817 34.502 29.805 251 HB THR 25 HB THR 25 36.831 34.360 32.279 252 HG1 THR 25 HG1 THR 25 39.131 33.939 31.225 253 1HG2 THR 25 1HG2 THR 25 35.575 32.318 31.784 254 2HG2 THR 25 2HG2 THR 25 37.100 31.481 31.441 255 3HG2 THR 25 3HG2 THR 25 36.753 32.053 33.080 256 HA PRO 26 HA PRO 26 36.558 31.330 27.093 257 1HB PRO 26 1HB PRO 26 39.032 30.940 25.884 258 2HB PRO 26 2HB PRO 26 37.921 32.267 25.496 259 1HG PRO 26 1HG PRO 26 40.408 32.319 27.165 260 2HG PRO 26 2HG PRO 26 39.695 33.606 26.173 261 1HD PRO 26 1HD PRO 26 39.449 33.420 28.971 262 2HD PRO 26 2HD PRO 26 38.383 34.366 27.914 263 H GLU 27 H GLU 27 38.707 30.911 29.667 264 HA GLU 27 HA GLU 27 39.629 28.199 29.144 265 1HB GLU 27 1HB GLU 27 39.813 30.207 31.245 266 2HB GLU 27 2HB GLU 27 39.655 28.571 31.878 267 1HG GLU 27 1HG GLU 27 41.634 27.844 30.890 268 2HG GLU 27 2HG GLU 27 41.568 29.075 29.627 269 H GLU 28 H GLU 28 36.621 29.310 29.627 270 HA GLU 28 HA GLU 28 35.676 26.737 30.701 271 1HB GLU 28 1HB GLU 28 34.294 27.744 32.398 272 2HB GLU 28 2HB GLU 28 35.896 28.454 32.598 273 1HG GLU 28 1HG GLU 28 34.989 30.272 30.926 274 2HG GLU 28 2HG GLU 28 33.411 29.699 31.470 275 H ILE 29 H ILE 29 35.315 29.647 29.006 276 HA ILE 29 HA ILE 29 32.826 29.838 28.024 277 HB ILE 29 HB ILE 29 35.518 30.399 27.426 278 1HG1 ILE 29 1HG1 ILE 29 34.675 32.582 27.330 279 2HG1 ILE 29 2HG1 ILE 29 33.080 32.058 26.792 280 1HG2 ILE 29 2HG2 ILE 29 33.514 29.948 25.303 281 2HG2 ILE 29 3HG2 ILE 29 34.952 30.933 25.047 282 3HG2 ILE 29 1HG2 ILE 29 35.113 29.237 25.495 283 1HD1 ILE 29 1HD1 ILE 29 34.132 31.107 29.393 284 2HD1 ILE 29 2HD1 ILE 29 33.581 32.775 29.294 285 3HD1 ILE 29 3HD1 ILE 29 32.465 31.455 28.930 286 H LYS 30 H LYS 30 35.374 27.615 26.973 287 HA LYS 30 HA LYS 30 34.028 26.592 24.691 288 1HB LYS 30 1HB LYS 30 35.566 24.608 26.207 289 2HB LYS 30 2HB LYS 30 35.806 25.192 24.569 290 1HG LYS 30 1HG LYS 30 36.714 27.349 25.713 291 2HG LYS 30 2HG LYS 30 36.895 26.315 27.130 292 1HD LYS 30 1HD LYS 30 38.453 24.918 26.071 293 2HD LYS 30 2HD LYS 30 37.962 25.436 24.457 294 1HE LYS 30 1HE LYS 30 39.855 26.716 24.618 295 2HE LYS 30 2HE LYS 30 38.767 27.811 25.470 296 1HZ LYS 30 3HZ LYS 30 39.432 26.406 27.512 297 2HZ LYS 30 1HZ LYS 30 40.772 25.959 26.570 298 3HZ LYS 30 2HZ LYS 30 40.501 27.595 26.944 299 H LYS 31 H LYS 31 33.983 26.009 28.072 300 HA LYS 31 HA LYS 31 32.013 23.817 27.946 301 1HB LYS 31 1HB LYS 31 33.517 25.234 30.107 302 2HB LYS 31 2HB LYS 31 32.004 24.443 30.546 303 1HG LYS 31 1HG LYS 31 33.630 22.757 30.849 304 2HG LYS 31 2HG LYS 31 32.941 22.396 29.265 305 1HD LYS 31 1HD LYS 31 34.892 24.093 28.505 306 2HD LYS 31 2HD LYS 31 35.640 23.436 29.963 307 1HE LYS 31 1HE LYS 31 34.461 21.259 28.557 308 2HE LYS 31 2HE LYS 31 35.387 22.202 27.390 309 1HZ LYS 31 1HZ LYS 31 36.991 22.132 29.577 310 2HZ LYS 31 2HZ LYS 31 36.305 20.577 29.563 311 3HZ LYS 31 3HZ LYS 31 37.151 21.148 28.205 312 H ARG 32 H ARG 32 31.414 26.579 26.887 313 HA ARG 32 HA ARG 32 29.007 27.192 28.529 314 1HB ARG 32 1HB ARG 32 30.852 28.917 26.893 315 2HB ARG 32 2HB ARG 32 29.169 29.390 27.075 316 1HG ARG 32 1HG ARG 32 30.406 30.484 28.837 317 2HG ARG 32 2HG ARG 32 29.467 29.189 29.581 318 1HD ARG 32 1HD ARG 32 31.973 28.119 28.718 319 2HD ARG 32 2HD ARG 32 32.305 29.566 29.670 320 HE ARG 32 HE ARG 32 31.615 27.148 30.851 321 1HH1 ARG 32 1HH2 ARG 32 30.938 30.480 31.037 322 2HH1 ARG 32 2HH2 ARG 32 29.860 30.347 32.387 323 1HH2 ARG 32 1HH1 ARG 32 29.904 26.878 32.422 324 2HH2 ARG 32 2HH1 ARG 32 29.276 28.308 33.170 325 H LYS 33 H LYS 33 29.831 25.426 26.029 326 HA LYS 33 HA LYS 33 28.389 24.459 24.373 327 1HB LYS 33 1HB LYS 33 26.531 25.909 25.670 328 2HB LYS 33 2HB LYS 33 26.666 26.895 24.212 329 1HG LYS 33 1HG LYS 33 25.919 25.179 22.820 330 2HG LYS 33 2HG LYS 33 26.390 23.916 23.958 331 1HD LYS 33 1HD LYS 33 24.144 23.886 24.408 332 2HD LYS 33 2HD LYS 33 24.570 25.229 25.469 333 1HE LYS 33 1HE LYS 33 23.381 26.684 24.225 334 2HE LYS 33 2HE LYS 33 24.173 26.146 22.743 335 1HZ LYS 33 1HZ LYS 33 21.983 24.653 24.069 336 2HZ LYS 33 2HZ LYS 33 21.732 25.765 22.814 337 3HZ LYS 33 3HZ LYS 33 22.647 24.362 22.533 338 H LYS 34 H LYS 34 30.017 24.658 22.824 339 HA LYS 34 HA LYS 34 29.805 26.970 20.998 340 1HB LYS 34 1HB LYS 34 32.584 26.215 21.632 341 2HB LYS 34 2HB LYS 34 31.893 27.810 21.357 342 1HG LYS 34 1HG LYS 34 31.292 26.227 23.851 343 2HG LYS 34 2HG LYS 34 32.711 27.265 23.731 344 1HD LYS 34 1HD LYS 34 30.282 28.579 22.778 345 2HD LYS 34 2HD LYS 34 30.190 28.116 24.481 346 1HE LYS 34 1HE LYS 34 31.687 29.691 25.081 347 2HE LYS 34 2HE LYS 34 32.789 29.234 23.781 348 1HZ LYS 34 1HZ LYS 34 30.327 30.739 23.183 349 2HZ LYS 34 2HZ LYS 34 31.708 31.552 23.738 350 3HZ LYS 34 3HZ LYS 34 31.774 30.654 22.297 351 H ALA 35 H ALA 35 29.272 24.109 21.132 352 HA ALA 35 HA ALA 35 30.116 23.327 18.500 353 1HB ALA 35 3HB ALA 35 30.929 21.835 20.994 354 2HB ALA 35 1HB ALA 35 30.795 21.025 19.435 355 3HB ALA 35 2HB ALA 35 31.976 22.322 19.667 356 H VAL 36 H VAL 36 28.309 22.054 17.729 357 HA VAL 36 HA VAL 36 26.512 20.968 19.790 358 HB VAL 36 HB VAL 36 24.752 22.594 18.710 359 1HG1 VAL 36 3HG1 VAL 36 25.700 22.301 21.163 360 2HG1 VAL 36 1HG1 VAL 36 26.441 23.858 20.807 361 3HG1 VAL 36 2HG1 VAL 36 24.685 23.669 20.735 362 1HG2 VAL 36 1HG2 VAL 36 27.392 24.036 18.496 363 2HG2 VAL 36 2HG2 VAL 36 26.204 23.762 17.217 364 3HG2 VAL 36 3HG2 VAL 36 25.844 24.866 18.549 365 H ILE 37 H ILE 37 24.629 19.989 19.038 366 HA ILE 37 HA ILE 37 24.318 19.666 16.115 367 HB ILE 37 HB ILE 37 24.282 17.650 18.314 368 1HG1 ILE 37 1HG1 ILE 37 24.965 16.802 15.620 369 2HG1 ILE 37 2HG1 ILE 37 25.994 18.117 16.187 370 1HG2 ILE 37 3HG2 ILE 37 22.519 17.930 15.921 371 2HG2 ILE 37 1HG2 ILE 37 22.971 16.307 16.477 372 3HG2 ILE 37 2HG2 ILE 37 22.117 17.408 17.573 373 1HD1 ILE 37 2HD1 ILE 37 26.051 16.727 18.413 374 2HD1 ILE 37 3HD1 ILE 37 25.656 15.363 17.345 375 3HD1 ILE 37 1HD1 ILE 37 27.136 16.303 17.083 376 H PHE 38 H PHE 38 22.209 20.241 15.623 377 HA PHE 38 HA PHE 38 20.229 19.886 17.772 378 1HB PHE 38 1HB PHE 38 19.151 21.923 16.255 379 2HB PHE 38 2HB PHE 38 19.992 22.144 17.786 380 HD1 PHE 38 HD2 PHE 38 22.727 22.177 17.547 381 HD2 PHE 38 HD1 PHE 38 19.876 23.173 14.467 382 HE1 PHE 38 HE2 PHE 38 24.452 23.472 16.351 383 HE2 PHE 38 HE1 PHE 38 21.618 24.499 13.307 384 HZ PHE 38 HZ PHE 38 23.901 24.642 14.241 385 H CYS 39 H CYS 39 17.876 20.072 16.454 386 HA CYS 39 HA CYS 39 18.059 18.865 13.803 387 1HB CYS 39 1HB CYS 39 16.353 17.047 15.126 388 2HB CYS 39 2HB CYS 39 17.969 16.676 14.515 389 HG CYS 39 HG CYS 39 17.310 17.432 17.470 390 H LEU 40 H LEU 40 15.871 18.944 16.601 391 HA LEU 40 HA LEU 40 14.542 21.184 16.047 392 1HB LEU 40 1HB LEU 40 12.449 20.302 14.778 393 2HB LEU 40 2HB LEU 40 13.855 20.873 13.912 394 HG LEU 40 HG LEU 40 14.537 18.683 13.370 395 1HD1 LEU 40 1HD1 LEU 40 14.047 17.887 15.784 396 2HD1 LEU 40 2HD1 LEU 40 12.439 17.525 15.187 397 3HD1 LEU 40 3HD1 LEU 40 13.830 16.716 14.481 398 1HD2 LEU 40 2HD2 LEU 40 11.638 19.344 13.144 399 2HD2 LEU 40 3HD2 LEU 40 12.816 19.029 11.869 400 3HD2 LEU 40 1HD2 LEU 40 12.089 17.685 12.739 401 H SER 41 H SER 41 12.745 21.640 17.137 402 HA SER 41 HA SER 41 12.325 20.821 19.624 403 1HB SER 41 1HB SER 41 10.983 22.590 19.302 404 2HB SER 41 2HB SER 41 10.639 22.134 17.635 405 HG SER 41 HG SER 41 9.363 21.398 20.017 406 H ALA 42 H ALA 42 10.328 19.746 20.640 407 HA ALA 42 HA ALA 42 10.237 16.965 19.934 408 1HB ALA 42 2HB ALA 42 9.691 18.000 22.217 409 2HB ALA 42 3HB ALA 42 8.125 18.435 21.532 410 3HB ALA 42 1HB ALA 42 8.592 16.739 21.660 411 H ASP 43 H ASP 43 8.505 15.813 18.899 412 HA ASP 43 HA ASP 43 6.628 15.585 17.462 413 1HB ASP 43 1HB ASP 43 6.335 18.587 17.383 414 2HB ASP 43 2HB ASP 43 5.096 17.352 17.162 415 H LYS 44 H LYS 44 9.358 17.573 17.075 416 HA LYS 44 HA LYS 44 10.790 17.851 15.344 417 1HB LYS 44 1HB LYS 44 9.025 15.750 14.357 418 2HB LYS 44 2HB LYS 44 9.699 16.743 13.064 419 1HG LYS 44 1HG LYS 44 11.125 14.750 13.734 420 2HG LYS 44 2HG LYS 44 11.944 16.301 13.790 421 1HD LYS 44 1HD LYS 44 12.557 15.697 15.883 422 2HD LYS 44 2HD LYS 44 10.903 16.119 16.335 423 1HE LYS 44 1HE LYS 44 10.269 13.940 16.566 424 2HE LYS 44 2HE LYS 44 11.234 13.412 15.189 425 1HZ LYS 44 1HZ LYS 44 12.957 14.294 17.220 426 2HZ LYS 44 2HZ LYS 44 11.852 13.204 17.900 427 3HZ LYS 44 3HZ LYS 44 12.799 12.731 16.572 428 H LYS 45 H LYS 45 10.835 19.877 15.075 429 HA LYS 45 HA LYS 45 9.429 21.098 12.869 430 1HB LYS 45 1HB LYS 45 8.804 21.583 15.759 431 2HB LYS 45 2HB LYS 45 8.533 22.870 14.569 432 1HG LYS 45 1HG LYS 45 7.365 20.770 13.298 433 2HG LYS 45 2HG LYS 45 7.076 20.318 14.975 434 1HD LYS 45 1HD LYS 45 6.453 23.001 14.992 435 2HD LYS 45 2HD LYS 45 5.890 22.498 13.398 436 1HE LYS 45 1HE LYS 45 5.112 21.304 16.071 437 2HE LYS 45 2HE LYS 45 4.066 22.163 14.942 438 1HZ LYS 45 1HZ LYS 45 5.468 19.617 14.335 439 2HZ LYS 45 2HZ LYS 45 3.842 19.730 14.815 440 3HZ LYS 45 3HZ LYS 45 4.340 20.417 13.346 441 H CYS 46 H CYS 46 10.059 23.501 15.004 442 HA CYS 46 HA CYS 46 12.106 24.933 13.949 443 1HB CYS 46 1HB CYS 46 12.003 24.099 16.887 444 2HB CYS 46 2HB CYS 46 12.920 25.481 16.246 445 HG CYS 46 HG CYS 46 10.795 26.703 16.777 446 H ILE 47 H ILE 47 14.353 24.860 13.910 447 HA ILE 47 HA ILE 47 15.733 22.337 14.001 448 HB ILE 47 HB ILE 47 16.263 24.909 13.136 449 1HG1 ILE 47 1HG1 ILE 47 18.715 23.968 12.943 450 2HG1 ILE 47 2HG1 ILE 47 17.976 22.476 13.543 451 1HG2 ILE 47 1HG2 ILE 47 16.677 25.567 15.471 452 2HG2 ILE 47 2HG2 ILE 47 17.967 24.350 15.569 453 3HG2 ILE 47 3HG2 ILE 47 18.134 25.720 14.468 454 1HD1 ILE 47 2HD1 ILE 47 16.160 23.275 11.651 455 2HD1 ILE 47 3HD1 ILE 47 17.685 23.809 10.934 456 3HD1 ILE 47 1HD1 ILE 47 17.468 22.099 11.374 457 H ILE 48 H ILE 48 16.724 21.388 15.976 458 HA ILE 48 HA ILE 48 16.704 23.187 18.361 459 HB ILE 48 HB ILE 48 15.016 20.904 17.942 460 1HG1 ILE 48 1HG1 ILE 48 13.817 21.965 19.878 461 2HG1 ILE 48 2HG1 ILE 48 15.131 23.145 19.945 462 1HG2 ILE 48 3HG2 ILE 48 16.679 21.052 20.425 463 2HG2 ILE 48 1HG2 ILE 48 15.192 20.114 20.296 464 3HG2 ILE 48 2HG2 ILE 48 16.578 19.709 19.287 465 1HD1 ILE 48 1HD1 ILE 48 14.205 22.794 17.248 466 2HD1 ILE 48 2HD1 ILE 48 12.863 23.253 18.301 467 3HD1 ILE 48 3HD1 ILE 48 14.297 24.279 18.201 468 H VAL 49 H VAL 49 18.170 22.895 19.751 469 HA VAL 49 HA VAL 49 20.123 20.644 19.401 470 HB VAL 49 HB VAL 49 21.226 22.823 19.539 471 1HG1 VAL 49 2HG1 VAL 49 19.130 23.527 21.174 472 2HG1 VAL 49 3HG1 VAL 49 20.442 23.333 22.334 473 3HG1 VAL 49 1HG1 VAL 49 20.613 24.462 20.991 474 1HG2 VAL 49 3HG2 VAL 49 21.588 20.638 21.400 475 2HG2 VAL 49 1HG2 VAL 49 22.814 21.688 20.681 476 3HG2 VAL 49 2HG2 VAL 49 22.024 22.159 22.185 477 H GLU 50 H GLU 50 18.786 19.019 20.393 478 HA GLU 50 HA GLU 50 18.836 19.161 23.338 479 1HB GLU 50 1HB GLU 50 16.530 20.084 21.987 480 2HB GLU 50 2HB GLU 50 16.113 18.512 22.666 481 1HG GLU 50 1HG GLU 50 17.479 20.688 24.266 482 2HG GLU 50 2HG GLU 50 15.727 20.493 24.210 483 H GLU 51 H GLU 51 20.140 17.346 21.858 484 HA GLU 51 HA GLU 51 18.495 14.897 22.226 485 1HB GLU 51 1HB GLU 51 20.790 14.835 20.376 486 2HB GLU 51 2HB GLU 51 19.212 14.066 20.218 487 1HG GLU 51 1HG GLU 51 19.828 17.008 19.823 488 2HG GLU 51 2HG GLU 51 19.435 15.849 18.556 489 H GLY 52 H GLY 52 20.988 16.663 23.352 490 1HA GLY 52 1HA GLY 52 22.442 16.066 25.153 491 2HA GLY 52 2HA GLY 52 22.098 14.363 24.829 492 H LYS 53 H LYS 53 22.909 16.487 22.206 493 HA LYS 53 HA LYS 53 25.398 14.952 21.764 494 1HB LYS 53 1HB LYS 53 24.369 17.069 19.910 495 2HB LYS 53 2HB LYS 53 25.154 15.546 19.510 496 1HG LYS 53 1HG LYS 53 22.485 15.355 20.822 497 2HG LYS 53 2HG LYS 53 22.505 15.979 19.178 498 1HD LYS 53 1HD LYS 53 22.245 13.493 19.298 499 2HD LYS 53 2HD LYS 53 23.666 14.004 18.381 500 1HE LYS 53 1HE LYS 53 25.146 13.354 20.076 501 2HE LYS 53 2HE LYS 53 23.927 13.511 21.339 502 1HZ LYS 53 3HZ LYS 53 23.691 11.471 19.215 503 2HZ LYS 53 1HZ LYS 53 24.588 11.177 20.625 504 3HZ LYS 53 2HZ LYS 53 22.927 11.516 20.733 505 H GLU 54 H GLU 54 26.118 17.503 20.125 506 HA GLU 54 HA GLU 54 27.221 19.537 20.432 507 1HB GLU 54 1HB GLU 54 26.065 20.772 21.881 508 2HB GLU 54 2HB GLU 54 25.462 19.339 22.699 509 1HG GLU 54 1HG GLU 54 27.520 19.207 24.036 510 2HG GLU 54 2HG GLU 54 28.190 20.602 23.188 511 H ILE 55 H ILE 55 29.273 20.079 20.835 512 HA ILE 55 HA ILE 55 30.874 18.386 22.699 513 HB ILE 55 HB ILE 55 31.203 19.258 19.992 514 1HG1 ILE 55 1HG1 ILE 55 32.939 17.678 21.880 515 2HG1 ILE 55 2HG1 ILE 55 31.678 17.014 20.809 516 1HG2 ILE 55 2HG2 ILE 55 32.504 21.101 21.327 517 2HG2 ILE 55 3HG2 ILE 55 33.639 19.791 21.643 518 3HG2 ILE 55 1HG2 ILE 55 33.277 20.267 19.989 519 1HD1 ILE 55 2HD1 ILE 55 33.077 18.716 19.194 520 2HD1 ILE 55 3HD1 ILE 55 34.348 17.971 20.163 521 3HD1 ILE 55 1HD1 ILE 55 33.262 16.974 19.208 522 H LEU 56 H LEU 56 32.746 20.072 23.576 523 HA LEU 56 HA LEU 56 31.222 22.559 24.209 524 1HB LEU 56 1HB LEU 56 33.381 21.313 25.926 525 2HB LEU 56 2HB LEU 56 32.369 22.709 26.326 526 HG LEU 56 HG LEU 56 31.464 20.746 27.431 527 1HD1 LEU 56 1HD1 LEU 56 29.871 21.624 25.003 528 2HD1 LEU 56 2HD1 LEU 56 29.190 20.739 26.370 529 3HD1 LEU 56 3HD1 LEU 56 29.850 22.360 26.607 530 1HD2 LEU 56 3HD2 LEU 56 32.430 19.348 25.264 531 2HD2 LEU 56 1HD2 LEU 56 31.313 18.686 26.462 532 3HD2 LEU 56 2HD2 LEU 56 30.696 19.349 24.948 533 H VAL 57 H VAL 57 33.756 21.570 22.340 534 HA VAL 57 HA VAL 57 35.322 22.877 21.212 535 HB VAL 57 HB VAL 57 33.699 24.881 22.672 536 1HG1 VAL 57 1HG1 VAL 57 36.572 25.300 22.393 537 2HG1 VAL 57 2HG1 VAL 57 35.631 26.501 21.517 538 3HG1 VAL 57 3HG1 VAL 57 35.372 26.281 23.256 539 1HG2 VAL 57 2HG2 VAL 57 34.723 24.428 19.877 540 2HG2 VAL 57 3HG2 VAL 57 33.061 24.316 20.478 541 3HG2 VAL 57 1HG2 VAL 57 33.847 25.893 20.322 542 H GLY 58 H GLY 58 35.211 23.325 24.784 543 1HA GLY 58 1HA GLY 58 38.132 23.513 24.882 544 2HA GLY 58 2HA GLY 58 37.040 23.535 26.272 545 H ASP 59 H ASP 59 35.545 21.164 25.584 546 HA ASP 59 HA ASP 59 37.022 19.134 26.828 547 1HB ASP 59 1HB ASP 59 34.832 19.002 24.736 548 2HB ASP 59 2HB ASP 59 35.622 17.529 25.315 549 H VAL 60 H VAL 60 36.706 19.910 23.399 550 HA VAL 60 HA VAL 60 38.191 18.097 22.063 551 HB VAL 60 HB VAL 60 38.639 21.092 21.888 552 1HG1 VAL 60 1HG1 VAL 60 40.247 19.543 20.676 553 2HG1 VAL 60 2HG1 VAL 60 38.863 19.003 19.725 554 3HG1 VAL 60 3HG1 VAL 60 39.377 20.687 19.654 555 1HG2 VAL 60 1HG2 VAL 60 36.281 19.573 21.501 556 2HG2 VAL 60 2HG2 VAL 60 36.552 21.256 21.053 557 3HG2 VAL 60 3HG2 VAL 60 36.881 19.970 19.892 558 H GLY 61 H GLY 61 39.725 17.028 23.341 559 1HA GLY 61 1HA GLY 61 42.333 17.291 23.189 560 2HA GLY 61 2HA GLY 61 42.046 18.608 24.322 561 H VAL 62 H VAL 62 39.703 16.573 25.119 562 HA VAL 62 HA VAL 62 41.417 15.019 27.028 563 HB VAL 62 HB VAL 62 38.885 14.932 28.075 564 1HG1 VAL 62 1HG1 VAL 62 41.125 16.914 28.564 565 2HG1 VAL 62 2HG1 VAL 62 39.742 16.738 29.643 566 3HG1 VAL 62 3HG1 VAL 62 40.851 15.387 29.403 567 1HG2 VAL 62 3HG2 VAL 62 38.157 16.589 26.335 568 2HG2 VAL 62 1HG2 VAL 62 37.923 17.151 27.991 569 3HG2 VAL 62 2HG2 VAL 62 39.284 17.748 27.041 570 H THR 63 H THR 63 37.982 14.532 26.531 571 HA THR 63 HA THR 63 38.386 11.795 25.696 572 HB THR 63 HB THR 63 36.009 13.673 25.673 573 HG1 THR 63 HG1 THR 63 36.482 12.853 27.679 574 1HG2 THR 63 2HG2 THR 63 36.378 11.006 24.404 575 2HG2 THR 63 3HG2 THR 63 34.839 11.334 25.201 576 3HG2 THR 63 1HG2 THR 63 35.392 12.374 23.889 577 H ILE 64 H ILE 64 38.573 14.913 24.305 578 HA ILE 64 HA ILE 64 38.513 13.715 21.569 579 HB ILE 64 HB ILE 64 38.005 16.380 21.175 580 1HG1 ILE 64 1HG1 ILE 64 36.799 15.505 23.813 581 2HG1 ILE 64 2HG1 ILE 64 37.587 17.036 23.425 582 1HG2 ILE 64 1HG2 ILE 64 36.852 13.973 20.648 583 2HG2 ILE 64 2HG2 ILE 64 35.650 14.674 21.742 584 3HG2 ILE 64 3HG2 ILE 64 36.104 15.520 20.252 585 1HD1 ILE 64 3HD1 ILE 64 35.697 17.364 21.711 586 2HD1 ILE 64 1HD1 ILE 64 34.875 16.043 22.538 587 3HD1 ILE 64 2HD1 ILE 64 35.255 17.530 23.411 588 H THR 65 H THR 65 39.766 15.495 20.028 589 HA THR 65 HA THR 65 42.082 16.631 21.458 590 HB THR 65 HB THR 65 43.555 15.305 19.689 591 HG1 THR 65 HG1 THR 65 42.377 13.072 19.995 592 1HG2 THR 65 3HG2 THR 65 43.664 15.287 22.211 593 2HG2 THR 65 1HG2 THR 65 42.513 13.953 22.185 594 3HG2 THR 65 2HG2 THR 65 44.102 13.759 21.449 595 H ASP 66 H ASP 66 39.876 17.486 19.533 596 HA ASP 66 HA ASP 66 39.965 19.461 18.206 597 1HB ASP 66 1HB ASP 66 42.518 19.363 18.864 598 2HB ASP 66 2HB ASP 66 42.680 18.898 17.167 599 HA PRO 67 HA PRO 67 40.339 16.846 14.255 600 1HB PRO 67 1HB PRO 67 39.266 14.337 14.578 601 2HB PRO 67 2HB PRO 67 40.998 14.670 14.701 602 1HG PRO 67 1HG PRO 67 39.025 14.176 16.895 603 2HG PRO 67 2HG PRO 67 40.753 13.789 16.828 604 1HD PRO 67 1HD PRO 67 39.659 15.978 18.202 605 2HD PRO 67 2HD PRO 67 41.357 15.817 17.690 606 H PHE 68 H PHE 68 37.750 14.839 15.334 607 HA PHE 68 HA PHE 68 35.592 16.661 15.608 608 1HB PHE 68 1HB PHE 68 34.727 16.894 13.425 609 2HB PHE 68 2HB PHE 68 36.469 17.054 13.144 610 HD1 PHE 68 HD1 PHE 68 37.818 15.019 12.620 611 HD2 PHE 68 HD2 PHE 68 33.533 15.035 12.542 612 HE1 PHE 68 HE1 PHE 68 37.833 12.896 11.384 613 HE2 PHE 68 HE2 PHE 68 33.554 12.898 11.285 614 HZ PHE 68 HZ PHE 68 35.704 11.818 10.726 615 H LYS 69 H LYS 69 36.853 13.618 14.415 616 HA LYS 69 HA LYS 69 34.522 12.068 14.165 617 1HB LYS 69 1HB LYS 69 35.951 10.151 14.275 618 2HB LYS 69 2HB LYS 69 36.803 11.434 13.416 619 1HG LYS 69 1HG LYS 69 38.458 10.923 14.900 620 2HG LYS 69 2HG LYS 69 37.541 12.052 15.893 621 1HD LYS 69 1HD LYS 69 38.167 9.845 17.021 622 2HD LYS 69 2HD LYS 69 36.464 10.289 17.090 623 1HE LYS 69 1HE LYS 69 35.859 8.709 15.452 624 2HE LYS 69 2HE LYS 69 37.512 8.562 14.854 625 1HZ LYS 69 1HZ LYS 69 37.970 7.734 17.253 626 2HZ LYS 69 2HZ LYS 69 36.305 7.411 17.275 627 3HZ LYS 69 3HZ LYS 69 37.296 6.671 16.111 628 H HIS 70 H HIS 70 35.158 13.576 16.986 629 HA HIS 70 HA HIS 70 34.323 11.257 18.648 630 1HB HIS 70 1HB HIS 70 35.669 12.269 20.151 631 2HB HIS 70 2HB HIS 70 35.743 13.749 19.180 632 HD1 HIS 70 HD1 HIS 70 33.443 11.977 21.617 633 HD2 HIS 70 HD2 HIS 70 33.947 15.742 19.953 634 HE1 HIS 70 HE1 HIS 70 31.796 13.515 22.744 635 H PHE 71 H PHE 71 33.586 14.554 17.715 636 HA PHE 71 HA PHE 71 31.035 14.721 18.978 637 1HB PHE 71 1HB PHE 71 31.771 16.858 18.453 638 2HB PHE 71 2HB PHE 71 32.704 16.282 17.080 639 HD1 PHE 71 HD1 PHE 71 31.225 15.482 15.015 640 HD2 PHE 71 HD2 PHE 71 29.932 18.181 18.089 641 HE1 PHE 71 HE1 PHE 71 29.526 16.426 13.478 642 HE2 PHE 71 HE2 PHE 71 28.227 19.114 16.562 643 HZ PHE 71 HZ PHE 71 28.026 18.243 14.247 644 H VAL 72 H VAL 72 32.238 13.067 16.240 645 HA VAL 72 HA VAL 72 29.818 12.922 14.660 646 HB VAL 72 HB VAL 72 31.003 11.147 13.527 647 1HG1 VAL 72 1HG1 VAL 72 32.818 13.393 14.355 648 2HG1 VAL 72 2HG1 VAL 72 33.130 12.303 13.006 649 3HG1 VAL 72 3HG1 VAL 72 31.739 13.382 12.962 650 1HG2 VAL 72 2HG2 VAL 72 32.565 11.157 16.044 651 2HG2 VAL 72 3HG2 VAL 72 31.938 9.785 15.133 652 3HG2 VAL 72 1HG2 VAL 72 33.366 10.646 14.557 653 H GLY 73 H GLY 73 31.233 11.317 17.337 654 1HA GLY 73 1HA GLY 73 29.557 8.981 17.406 655 2HA GLY 73 2HA GLY 73 30.435 9.650 18.796 656 H MET 74 H MET 74 29.344 12.316 18.558 657 HA MET 74 HA MET 74 26.861 12.018 20.017 658 1HB MET 74 1HB MET 74 27.916 14.474 18.581 659 2HB MET 74 2HB MET 74 26.736 14.442 19.893 660 1HG MET 74 1HG MET 74 28.535 13.342 21.325 661 2HG MET 74 2HG MET 74 29.681 13.739 20.041 662 1HE MET 74 3HE MET 74 29.236 15.847 18.781 663 2HE MET 74 1HE MET 74 29.339 17.428 19.561 664 3HE MET 74 2HE MET 74 30.693 16.283 19.681 665 H LEU 75 H LEU 75 27.780 11.926 16.791 666 HA LEU 75 HA LEU 75 25.060 12.484 15.767 667 1HB LEU 75 1HB LEU 75 27.632 11.996 14.230 668 2HB LEU 75 2HB LEU 75 26.148 12.681 13.609 669 HG LEU 75 HG LEU 75 27.675 13.983 15.840 670 1HD1 LEU 75 1HD1 LEU 75 28.379 13.716 13.056 671 2HD1 LEU 75 2HD1 LEU 75 27.983 15.397 13.404 672 3HD1 LEU 75 3HD1 LEU 75 29.238 14.576 14.329 673 1HD2 LEU 75 3HD2 LEU 75 25.559 14.876 13.860 674 2HD2 LEU 75 1HD2 LEU 75 25.378 14.728 15.610 675 3HD2 LEU 75 2HD2 LEU 75 26.428 15.972 14.930 676 HA PRO 76 HA PRO 76 25.271 7.872 15.687 677 1HB PRO 76 1HB PRO 76 22.609 7.482 16.210 678 2HB PRO 76 2HB PRO 76 23.827 7.719 17.476 679 1HG PRO 76 1HG PRO 76 21.760 9.613 16.486 680 2HG PRO 76 2HG PRO 76 22.549 9.550 18.068 681 1HD PRO 76 1HD PRO 76 23.159 11.345 15.958 682 2HD PRO 76 2HD PRO 76 24.118 11.075 17.424 683 H GLU 77 H GLU 77 23.142 6.453 14.608 684 HA GLU 77 HA GLU 77 23.019 7.536 11.843 685 1HB GLU 77 1HB GLU 77 22.200 4.769 12.640 686 2HB GLU 77 2HB GLU 77 22.896 5.319 11.111 687 1HG GLU 77 1HG GLU 77 25.002 5.880 12.471 688 2HG GLU 77 2HG GLU 77 24.285 4.913 13.761 689 H LYS 78 H LYS 78 21.197 7.222 14.601 690 HA LYS 78 HA LYS 78 18.608 7.109 13.123 691 1HB LYS 78 1HB LYS 78 17.735 6.735 15.550 692 2HB LYS 78 2HB LYS 78 18.545 5.398 14.729 693 1HG LYS 78 1HG LYS 78 19.511 5.576 16.927 694 2HG LYS 78 2HG LYS 78 20.694 6.174 15.773 695 1HD LYS 78 1HD LYS 78 20.373 8.410 16.381 696 2HD LYS 78 2HD LYS 78 18.774 8.090 17.061 697 1HE LYS 78 1HE LYS 78 21.319 6.953 18.242 698 2HE LYS 78 2HE LYS 78 20.617 8.482 18.770 699 1HZ LYS 78 1HZ LYS 78 19.048 5.977 18.687 700 2HZ LYS 78 2HZ LYS 78 19.956 6.427 20.051 701 3HZ LYS 78 3HZ LYS 78 18.688 7.417 19.513 702 H ASP 79 H ASP 79 20.477 9.446 13.685 703 HA ASP 79 HA ASP 79 18.371 11.213 14.793 704 1HB ASP 79 1HB ASP 79 21.279 11.171 15.647 705 2HB ASP 79 2HB ASP 79 20.157 12.468 16.045 706 H CYS 80 H CYS 80 17.929 12.462 13.083 707 HA CYS 80 HA CYS 80 20.071 13.348 11.242 708 1HB CYS 80 1HB CYS 80 17.293 12.803 10.958 709 2HB CYS 80 2HB CYS 80 17.488 14.540 10.756 710 HG CYS 80 HG CYS 80 19.313 13.964 8.884 711 H ARG 81 H ARG 81 21.171 14.936 12.334 712 HA ARG 81 HA ARG 81 19.536 17.171 13.463 713 1HB ARG 81 1HB ARG 81 22.057 16.549 14.832 714 2HB ARG 81 2HB ARG 81 20.492 16.948 15.529 715 1HG ARG 81 1HG ARG 81 20.075 14.424 14.448 716 2HG ARG 81 2HG ARG 81 21.725 14.332 15.052 717 1HD ARG 81 1HD ARG 81 20.813 13.982 17.078 718 2HD ARG 81 2HD ARG 81 20.354 15.684 17.044 719 HE ARG 81 HE ARG 81 18.199 14.829 15.898 720 1HH1 ARG 81 1HH1 ARG 81 19.827 13.512 18.582 721 2HH1 ARG 81 2HH1 ARG 81 18.656 12.270 18.872 722 1HH2 ARG 81 1HH2 ARG 81 16.818 12.972 16.018 723 2HH2 ARG 81 2HH2 ARG 81 16.953 11.962 17.419 724 H TYR 82 H TYR 82 20.358 19.240 12.944 725 HA TYR 82 HA TYR 82 22.670 19.334 11.193 726 1HB TYR 82 1HB TYR 82 20.961 21.442 12.513 727 2HB TYR 82 2HB TYR 82 22.420 21.869 11.617 728 HD1 TYR 82 HD2 TYR 82 22.379 19.799 9.525 729 HD2 TYR 82 HD1 TYR 82 19.235 22.213 11.078 730 HE1 TYR 82 HE2 TYR 82 21.158 19.538 7.386 731 HE2 TYR 82 HE1 TYR 82 17.980 21.971 8.947 732 HH TYR 82 HH TYR 82 17.894 20.336 7.054 733 H ALA 83 H ALA 83 24.563 21.000 11.997 734 HA ALA 83 HA ALA 83 24.845 21.074 14.860 735 1HB ALA 83 1HB ALA 83 26.474 19.008 13.411 736 2HB ALA 83 2HB ALA 83 26.738 19.521 15.077 737 3HB ALA 83 3HB ALA 83 25.230 18.717 14.622 738 H LEU 84 H LEU 84 26.140 22.673 15.390 739 HA LEU 84 HA LEU 84 28.287 23.506 13.528 740 1HB LEU 84 1HB LEU 84 26.593 25.155 15.375 741 2HB LEU 84 2HB LEU 84 28.061 25.770 14.638 742 HG LEU 84 HG LEU 84 25.497 24.946 13.299 743 1HD1 LEU 84 1HD1 LEU 84 25.931 27.319 13.965 744 2HD1 LEU 84 2HD1 LEU 84 27.365 27.300 12.941 745 3HD1 LEU 84 3HD1 LEU 84 25.770 27.113 12.224 746 1HD2 LEU 84 3HD2 LEU 84 28.285 25.121 12.137 747 2HD2 LEU 84 1HD2 LEU 84 27.216 23.718 12.147 748 3HD2 LEU 84 2HD2 LEU 84 26.819 25.119 11.164 749 H TYR 85 H TYR 85 30.031 22.626 14.265 750 HA TYR 85 HA TYR 85 30.584 22.783 17.182 751 1HB TYR 85 1HB TYR 85 30.763 20.539 16.713 752 2HB TYR 85 2HB TYR 85 31.198 20.822 15.024 753 HD1 TYR 85 HD2 TYR 85 32.407 20.974 18.504 754 HD2 TYR 85 HD1 TYR 85 33.470 21.054 14.330 755 HE1 TYR 85 HE2 TYR 85 34.815 20.712 19.123 756 HE2 TYR 85 HE1 TYR 85 35.870 20.757 14.943 757 HH TYR 85 HH TYR 85 37.087 19.666 17.192 758 H ASP 86 H ASP 86 31.832 24.572 17.521 759 HA ASP 86 HA ASP 86 33.306 26.088 15.752 760 1HB ASP 86 1HB ASP 86 33.244 25.833 18.550 761 2HB ASP 86 2HB ASP 86 34.938 25.685 18.107 762 H ALA 87 H ALA 87 34.391 25.095 14.099 763 HA ALA 87 HA ALA 87 36.126 22.771 14.603 764 1HB ALA 87 3HB ALA 87 34.951 24.054 12.301 765 2HB ALA 87 1HB ALA 87 36.685 23.829 12.048 766 3HB ALA 87 2HB ALA 87 35.659 22.442 12.427 767 H SER 88 H SER 88 38.099 23.132 15.564 768 HA SER 88 HA SER 88 39.481 25.696 15.058 769 1HB SER 88 1HB SER 88 40.194 23.338 16.812 770 2HB SER 88 2HB SER 88 41.161 24.802 16.667 771 HG SER 88 HG SER 88 39.109 24.387 18.249 772 H PHE 89 H PHE 89 40.129 25.546 12.941 773 HA PHE 89 HA PHE 89 42.338 23.605 12.403 774 1HB PHE 89 1HB PHE 89 41.477 23.151 10.212 775 2HB PHE 89 2HB PHE 89 40.113 22.957 11.323 776 HD1 PHE 89 HD2 PHE 89 41.708 25.246 8.871 777 HD2 PHE 89 HD1 PHE 89 38.285 24.503 11.363 778 HE1 PHE 89 HE2 PHE 89 40.463 27.057 7.714 779 HE2 PHE 89 HE1 PHE 89 37.052 26.315 10.209 780 HZ PHE 89 HZ PHE 89 38.139 27.593 8.384 781 H GLU 90 H GLU 90 44.000 24.466 11.057 782 HA GLU 90 HA GLU 90 43.889 27.408 10.716 783 1HB GLU 90 1HB GLU 90 46.173 25.468 10.327 784 2HB GLU 90 2HB GLU 90 46.270 27.212 10.039 785 1HG GLU 90 1HG GLU 90 46.656 27.543 12.221 786 2HG GLU 90 2HG GLU 90 45.071 26.857 12.582 787 H THR 91 H THR 91 44.596 28.285 8.624 788 HA THR 91 HA THR 91 44.033 26.444 6.392 789 HB THR 91 HB THR 91 41.882 27.339 6.591 790 HG1 THR 91 HG1 THR 91 41.724 28.523 4.863 791 1HG2 THR 91 3HG2 THR 91 42.609 28.715 8.570 792 2HG2 THR 91 1HG2 THR 91 43.081 29.997 7.439 793 3HG2 THR 91 2HG2 THR 91 41.392 29.484 7.558 794 H LYS 92 H LYS 92 44.211 28.210 4.193 795 HA LYS 92 HA LYS 92 46.919 29.092 4.196 796 1HB LYS 92 1HB LYS 92 44.512 30.101 2.636 797 2HB LYS 92 2HB LYS 92 46.182 30.543 2.277 798 1HG LYS 92 1HG LYS 92 46.580 27.960 2.177 799 2HG LYS 92 2HG LYS 92 44.828 27.868 1.968 800 1HD LYS 92 1HD LYS 92 45.008 29.465 0.062 801 2HD LYS 92 2HD LYS 92 46.763 29.444 0.238 802 1HE LYS 92 1HE LYS 92 45.028 27.026 -0.336 803 2HE LYS 92 2HE LYS 92 46.026 27.872 -1.517 804 1HZ LYS 92 2HZ LYS 92 47.900 27.422 0.175 805 2HZ LYS 92 3HZ LYS 92 46.862 26.222 0.774 806 3HZ LYS 92 1HZ LYS 92 47.386 26.160 -0.839 807 H GLU 93 H GLU 93 43.963 30.270 5.522 808 HA GLU 93 HA GLU 93 44.908 32.967 6.050 809 1HB GLU 93 1HB GLU 93 42.612 31.775 7.541 810 2HB GLU 93 2HB GLU 93 42.788 33.398 6.875 811 1HG GLU 93 1HG GLU 93 42.214 30.845 5.353 812 2HG GLU 93 2HG GLU 93 41.172 32.257 5.510 813 H SER 94 H SER 94 44.728 29.902 7.658 814 HA SER 94 HA SER 94 46.367 29.258 9.337 815 1HB SER 94 1HB SER 94 45.805 32.006 10.396 816 2HB SER 94 2HB SER 94 46.905 30.823 11.101 817 HG SER 94 HG SER 94 47.800 32.529 9.627 818 H ARG 95 H ARG 95 45.851 29.219 11.892 819 HA ARG 95 HA ARG 95 43.372 28.035 12.252 820 1HB ARG 95 1HB ARG 95 44.079 27.779 14.376 821 2HB ARG 95 2HB ARG 95 45.586 28.498 13.815 822 1HG ARG 95 1HG ARG 95 45.004 30.637 14.627 823 2HG ARG 95 2HG ARG 95 43.293 30.213 14.785 824 1HD ARG 95 1HD ARG 95 43.844 28.552 16.465 825 2HD ARG 95 2HD ARG 95 45.548 28.997 16.349 826 HE ARG 95 HE ARG 95 43.530 30.443 17.835 827 1HH1 ARG 95 1HH2 ARG 95 43.959 32.709 16.253 828 2HH1 ARG 95 2HH2 ARG 95 45.474 33.373 16.769 829 1HH2 ARG 95 1HH1 ARG 95 46.519 30.458 18.331 830 2HH2 ARG 95 2HH1 ARG 95 46.925 32.097 17.947 831 H LYS 96 H LYS 96 41.501 28.814 12.829 832 HA LYS 96 HA LYS 96 40.921 31.555 13.564 833 1HB LYS 96 1HB LYS 96 40.585 30.669 10.703 834 2HB LYS 96 2HB LYS 96 39.543 31.912 11.389 835 1HG LYS 96 1HG LYS 96 41.997 32.819 12.166 836 2HG LYS 96 2HG LYS 96 42.401 32.049 10.628 837 1HD LYS 96 1HD LYS 96 39.956 33.521 10.310 838 2HD LYS 96 2HD LYS 96 41.164 34.580 11.037 839 1HE LYS 96 1HE LYS 96 42.697 33.394 9.160 840 2HE LYS 96 2HE LYS 96 41.133 33.312 8.348 841 1HZ LYS 96 3HZ LYS 96 41.988 35.821 9.620 842 2HZ LYS 96 1HZ LYS 96 42.594 35.410 8.087 843 3HZ LYS 96 2HZ LYS 96 40.921 35.586 8.323 844 H GLU 97 H GLU 97 40.288 28.723 14.184 845 HA GLU 97 HA GLU 97 38.365 27.274 13.956 846 1HB GLU 97 1HB GLU 97 39.051 28.167 16.286 847 2HB GLU 97 2HB GLU 97 37.525 29.060 16.169 848 1HG GLU 97 1HG GLU 97 36.413 26.908 15.460 849 2HG GLU 97 2HG GLU 97 37.929 26.097 15.871 850 H GLU 98 H GLU 98 36.754 27.147 12.736 851 HA GLU 98 HA GLU 98 35.012 29.489 12.272 852 1HB GLU 98 1HB GLU 98 35.397 26.852 10.867 853 2HB GLU 98 2HB GLU 98 33.999 27.867 10.534 854 1HG GLU 98 1HG GLU 98 36.335 28.020 9.190 855 2HG GLU 98 2HG GLU 98 35.230 29.383 9.376 856 H LEU 99 H LEU 99 34.093 26.285 11.990 857 HA LEU 99 HA LEU 99 32.743 25.034 13.788 858 1HB LEU 99 1HB LEU 99 30.582 26.178 14.247 859 2HB LEU 99 2HB LEU 99 31.918 27.157 14.832 860 HG LEU 99 HG LEU 99 31.814 28.358 12.559 861 1HD1 LEU 99 2HD1 LEU 99 29.724 26.371 12.354 862 2HD1 LEU 99 3HD1 LEU 99 29.157 28.000 11.941 863 3HD1 LEU 99 1HD1 LEU 99 30.543 27.292 11.090 864 1HD2 LEU 99 3HD2 LEU 99 30.885 29.252 14.786 865 2HD2 LEU 99 1HD2 LEU 99 30.135 29.897 13.319 866 3HD2 LEU 99 2HD2 LEU 99 29.308 28.646 14.246 867 H MET 100 H MET 100 30.939 23.790 12.594 868 HA MET 100 HA MET 100 30.651 24.822 9.831 869 1HB MET 100 1HB MET 100 31.774 22.139 10.495 870 2HB MET 100 2HB MET 100 31.473 22.780 8.872 871 1HG MET 100 1HG MET 100 32.974 24.703 9.381 872 2HG MET 100 2HG MET 100 33.338 23.983 10.943 873 1HE MET 100 2HE MET 100 33.135 21.020 10.205 874 2HE MET 100 3HE MET 100 32.533 21.386 8.577 875 3HE MET 100 1HE MET 100 34.012 20.445 8.774 876 H PHE 101 H PHE 101 28.676 24.628 9.119 877 HA PHE 101 HA PHE 101 26.569 23.437 10.465 878 1HB PHE 101 1HB PHE 101 26.644 24.953 8.270 879 2HB PHE 101 2HB PHE 101 26.490 23.384 7.504 880 HD1 PHE 101 HD1 PHE 101 25.052 23.689 10.817 881 HD2 PHE 101 HD2 PHE 101 24.278 24.176 6.626 882 HE1 PHE 101 HE1 PHE 101 22.633 23.645 11.272 883 HE2 PHE 101 HE2 PHE 101 21.836 24.145 7.086 884 HZ PHE 101 HZ PHE 101 21.014 23.871 9.415 885 H PHE 102 H PHE 102 25.898 21.373 10.719 886 HA PHE 102 HA PHE 102 27.195 19.403 8.889 887 1HB PHE 102 1HB PHE 102 27.054 19.512 11.832 888 2HB PHE 102 2HB PHE 102 26.687 17.935 11.122 889 HD1 PHE 102 HD2 PHE 102 28.258 17.053 9.306 890 HD2 PHE 102 HD1 PHE 102 29.259 20.246 12.010 891 HE1 PHE 102 HE2 PHE 102 30.681 16.773 8.776 892 HE2 PHE 102 HE1 PHE 102 31.661 19.959 11.510 893 HZ PHE 102 HZ PHE 102 32.386 18.214 9.874 894 H LEU 103 H LEU 103 25.623 18.569 7.626 895 HA LEU 103 HA LEU 103 22.851 18.510 8.590 896 1HB LEU 103 1HB LEU 103 24.037 17.481 6.006 897 2HB LEU 103 2HB LEU 103 22.331 17.551 6.394 898 HG LEU 103 HG LEU 103 22.202 19.704 5.780 899 1HD1 LEU 103 1HD1 LEU 103 23.329 20.206 8.058 900 2HD1 LEU 103 2HD1 LEU 103 24.806 20.424 7.128 901 3HD1 LEU 103 3HD1 LEU 103 23.414 21.462 6.827 902 1HD2 LEU 103 2HD2 LEU 103 25.028 19.096 4.934 903 2HD2 LEU 103 3HD2 LEU 103 23.577 19.189 3.933 904 3HD2 LEU 103 1HD2 LEU 103 24.288 20.659 4.597 905 H TRP 104 H TRP 104 24.222 17.147 10.309 906 HA TRP 104 HA TRP 104 25.019 14.546 9.794 907 1HB TRP 104 1HB TRP 104 25.114 15.545 12.083 908 2HB TRP 104 2HB TRP 104 23.366 15.354 12.219 909 HD1 TRP 104 HD1 TRP 104 23.286 13.451 14.033 910 HE1 TRP 104 HE1 TRP 104 24.023 10.983 13.988 911 HE3 TRP 104 HE3 TRP 104 26.102 13.391 9.749 912 HZ2 TRP 104 HZ2 TRP 104 25.665 9.225 12.326 913 HZ3 TRP 104 HZ3 TRP 104 27.149 11.387 8.971 914 HH2 TRP 104 HH2 TRP 104 26.951 9.276 10.246 915 H ALA 105 H ALA 105 23.780 13.507 8.213 916 HA ALA 105 HA ALA 105 20.998 12.788 9.009 917 1HB ALA 105 2HB ALA 105 21.527 14.591 7.007 918 2HB ALA 105 3HB ALA 105 21.502 13.079 6.103 919 3HB ALA 105 1HB ALA 105 20.095 13.565 7.044 920 HA PRO 106 HA PRO 106 23.181 8.977 8.074 921 1HB PRO 106 1HB PRO 106 21.505 7.381 9.559 922 2HB PRO 106 2HB PRO 106 22.859 8.294 10.243 923 1HG PRO 106 1HG PRO 106 19.928 8.867 10.440 924 2HG PRO 106 2HG PRO 106 21.239 9.309 11.548 925 1HD PRO 106 1HD PRO 106 20.014 11.004 9.655 926 2HD PRO 106 2HD PRO 106 21.519 11.342 10.540 927 H GLU 107 H GLU 107 22.469 6.979 6.939 928 HA GLU 107 HA GLU 107 20.544 7.531 4.891 929 1HB GLU 107 1HB GLU 107 21.809 4.940 5.830 930 2HB GLU 107 2HB GLU 107 20.746 5.045 4.425 931 1HG GLU 107 1HG GLU 107 22.517 5.662 3.186 932 2HG GLU 107 2HG GLU 107 22.631 7.136 4.148 933 H LEU 108 H LEU 108 20.111 6.830 8.137 934 HA LEU 108 HA LEU 108 17.449 5.610 7.663 935 1HB LEU 108 1HB LEU 108 18.245 5.473 10.420 936 2HB LEU 108 2HB LEU 108 17.935 4.151 9.303 937 HG LEU 108 HG LEU 108 20.566 5.641 9.331 938 1HD1 LEU 108 1HD1 LEU 108 19.534 3.562 11.172 939 2HD1 LEU 108 2HD1 LEU 108 21.161 3.307 10.541 940 3HD1 LEU 108 3HD1 LEU 108 20.782 4.783 11.433 941 1HD2 LEU 108 1HD2 LEU 108 19.430 3.752 7.604 942 2HD2 LEU 108 2HD2 LEU 108 21.137 4.188 7.689 943 3HD2 LEU 108 3HD2 LEU 108 20.531 2.816 8.615 944 H ALA 109 H ALA 109 18.718 7.251 10.545 945 HA ALA 109 HA ALA 109 17.736 8.894 11.891 946 1HB ALA 109 1HB ALA 109 18.177 9.990 9.226 947 2HB ALA 109 2HB ALA 109 16.835 10.809 10.055 948 3HB ALA 109 3HB ALA 109 18.446 10.733 10.808 949 HA PRO 110 HA PRO 110 13.368 8.730 11.867 950 1HB PRO 110 1HB PRO 110 12.680 11.272 12.692 951 2HB PRO 110 2HB PRO 110 13.339 10.038 13.779 952 1HG PRO 110 1HG PRO 110 14.684 12.437 12.628 953 2HG PRO 110 2HG PRO 110 15.034 11.576 14.134 954 1HD PRO 110 1HD PRO 110 16.499 11.351 11.738 955 2HD PRO 110 2HD PRO 110 16.602 10.234 13.109 956 H LEU 111 H LEU 111 11.691 9.106 10.323 957 HA LEU 111 HA LEU 111 12.459 10.254 7.826 958 1HB LEU 111 1HB LEU 111 9.818 9.385 8.974 959 2HB LEU 111 2HB LEU 111 9.919 10.119 7.372 960 HG LEU 111 HG LEU 111 11.982 8.255 7.370 961 1HD1 LEU 111 2HD1 LEU 111 10.518 7.505 9.515 962 2HD1 LEU 111 3HD1 LEU 111 9.636 6.657 8.246 963 3HD1 LEU 111 1HD1 LEU 111 11.358 6.351 8.479 964 1HD2 LEU 111 1HD2 LEU 111 9.359 8.659 6.121 965 2HD2 LEU 111 2HD2 LEU 111 10.883 8.153 5.390 966 3HD2 LEU 111 3HD2 LEU 111 9.842 6.963 6.172 967 H LYS 112 H LYS 112 11.232 11.710 10.678 968 HA LYS 112 HA LYS 112 10.156 14.043 9.232 969 1HB LYS 112 1HB LYS 112 10.617 13.830 12.211 970 2HB LYS 112 2HB LYS 112 9.422 14.814 11.356 971 1HG LYS 112 1HG LYS 112 9.487 11.791 11.297 972 2HG LYS 112 2HG LYS 112 8.463 12.728 12.388 973 1HD LYS 112 1HD LYS 112 6.995 12.403 10.613 974 2HD LYS 112 2HD LYS 112 7.732 13.934 10.141 975 1HE LYS 112 1HE LYS 112 8.935 12.985 8.421 976 2HE LYS 112 2HE LYS 112 9.132 11.454 9.277 977 1HZ LYS 112 3HZ LYS 112 6.402 12.045 8.628 978 2HZ LYS 112 1HZ LYS 112 7.390 11.914 7.257 979 3HZ LYS 112 2HZ LYS 112 7.298 10.627 8.361 980 H SER 113 H SER 113 13.212 13.011 10.222 981 HA SER 113 HA SER 113 14.137 15.855 10.265 982 1HB SER 113 1HB SER 113 15.652 13.453 11.332 983 2HB SER 113 2HB SER 113 16.031 15.161 11.570 984 HG SER 113 HG SER 113 14.523 15.304 13.045 985 H LYS 114 H LYS 114 13.534 13.729 8.110 986 HA LYS 114 HA LYS 114 16.114 14.020 6.633 987 1HB LYS 114 1HB LYS 114 15.867 11.860 5.701 988 2HB LYS 114 2HB LYS 114 15.419 11.628 7.390 989 1HG LYS 114 1HG LYS 114 13.036 11.817 6.818 990 2HG LYS 114 2HG LYS 114 13.455 12.127 5.131 991 1HD LYS 114 1HD LYS 114 13.700 9.567 6.689 992 2HD LYS 114 2HD LYS 114 12.986 9.835 5.100 993 1HE LYS 114 1HE LYS 114 15.940 9.950 5.777 994 2HE LYS 114 2HE LYS 114 15.129 8.674 4.871 995 1HZ LYS 114 3HZ LYS 114 14.899 11.459 3.963 996 2HZ LYS 114 1HZ LYS 114 16.317 10.588 3.622 997 3HZ LYS 114 2HZ LYS 114 14.820 10.021 3.062 998 H MET 115 H MET 115 12.597 13.748 6.482 999 HA MET 115 HA MET 115 12.411 14.667 3.688 1000 1HB MET 115 1HB MET 115 10.272 14.539 5.822 1001 2HB MET 115 2HB MET 115 10.030 14.571 4.070 1002 1HG MET 115 1HG MET 115 11.306 12.381 3.934 1003 2HG MET 115 2HG MET 115 11.261 12.326 5.694 1004 1HE MET 115 1HE MET 115 10.028 11.745 2.555 1005 2HE MET 115 2HE MET 115 9.305 10.234 3.127 1006 3HE MET 115 3HE MET 115 8.279 11.537 2.534 1007 H ILE 116 H ILE 116 12.387 15.926 6.888 1008 HA ILE 116 HA ILE 116 11.014 18.345 6.262 1009 HB ILE 116 HB ILE 116 12.307 16.937 8.486 1010 1HG1 ILE 116 1HG1 ILE 116 9.906 18.799 8.318 1011 2HG1 ILE 116 2HG1 ILE 116 9.849 17.031 8.228 1012 1HG2 ILE 116 3HG2 ILE 116 12.389 19.872 8.191 1013 2HG2 ILE 116 1HG2 ILE 116 12.183 19.182 9.797 1014 3HG2 ILE 116 2HG2 ILE 116 13.595 18.767 8.830 1015 1HD1 ILE 116 2HD1 ILE 116 11.318 17.905 10.571 1016 2HD1 ILE 116 3HD1 ILE 116 9.694 18.593 10.553 1017 3HD1 ILE 116 1HD1 ILE 116 9.912 16.844 10.473 1018 H TYR 117 H TYR 117 14.182 17.516 7.333 1019 HA TYR 117 HA TYR 117 15.598 19.887 7.248 1020 1HB TYR 117 1HB TYR 117 16.192 17.036 6.568 1021 2HB TYR 117 2HB TYR 117 17.485 18.250 6.435 1022 HD1 TYR 117 HD1 TYR 117 15.296 19.401 8.904 1023 HD2 TYR 117 HD2 TYR 117 18.258 16.362 8.244 1024 HE1 TYR 117 HE1 TYR 117 15.599 19.172 11.344 1025 HE2 TYR 117 HE2 TYR 117 18.560 16.136 10.682 1026 HH TYR 117 HH TYR 117 16.606 16.896 12.859 1027 H ALA 118 H ALA 118 14.506 17.824 4.732 1028 HA ALA 118 HA ALA 118 15.719 18.458 2.404 1029 1HB ALA 118 1HB ALA 118 13.265 17.505 3.267 1030 2HB ALA 118 2HB ALA 118 12.846 18.858 2.209 1031 3HB ALA 118 3HB ALA 118 13.832 17.527 1.588 1032 H SER 119 H SER 119 13.201 20.526 3.922 1033 HA SER 119 HA SER 119 14.232 22.783 2.232 1034 1HB SER 119 1HB SER 119 11.843 21.944 1.862 1035 2HB SER 119 2HB SER 119 11.486 22.584 3.464 1036 HG SER 119 HG SER 119 12.320 24.614 2.676 1037 H SER 120 H SER 120 14.155 21.610 5.352 1038 HA SER 120 HA SER 120 13.652 24.130 6.752 1039 1HB SER 120 1HB SER 120 15.273 22.137 8.165 1040 2HB SER 120 2HB SER 120 13.754 22.892 8.632 1041 HG SER 120 HG SER 120 12.701 21.476 7.194 1042 H LYS 121 H LYS 121 16.525 22.407 5.633 1043 HA LYS 121 HA LYS 121 18.458 23.771 7.081 1044 1HB LYS 121 1HB LYS 121 18.533 21.884 5.238 1045 2HB LYS 121 2HB LYS 121 19.011 23.267 4.233 1046 1HG LYS 121 1HG LYS 121 20.797 23.801 5.558 1047 2HG LYS 121 2HG LYS 121 20.135 22.972 6.973 1048 1HD LYS 121 1HD LYS 121 21.600 21.314 6.391 1049 2HD LYS 121 2HD LYS 121 20.359 20.897 5.206 1050 1HE LYS 121 1HE LYS 121 22.870 22.531 4.786 1051 2HE LYS 121 2HE LYS 121 22.383 21.051 3.960 1052 1HZ LYS 121 3HZ LYS 121 20.452 22.326 3.080 1053 2HZ LYS 121 1HZ LYS 121 21.149 23.738 3.720 1054 3HZ LYS 121 2HZ LYS 121 21.958 22.861 2.511 1055 H ASP 122 H ASP 122 16.592 24.915 4.481 1056 HA ASP 122 HA ASP 122 18.212 27.223 3.815 1057 1HB ASP 122 1HB ASP 122 16.172 26.021 2.525 1058 2HB ASP 122 2HB ASP 122 15.244 27.223 3.428 1059 H ALA 123 H ALA 123 15.542 26.349 5.815 1060 HA ALA 123 HA ALA 123 14.818 28.895 6.889 1061 1HB ALA 123 2HB ALA 123 14.050 26.241 7.067 1062 2HB ALA 123 3HB ALA 123 14.623 26.608 8.702 1063 3HB ALA 123 1HB ALA 123 13.330 27.577 7.981 1064 H ILE 124 H ILE 124 16.749 26.296 8.443 1065 HA ILE 124 HA ILE 124 17.839 27.748 10.562 1066 HB ILE 124 HB ILE 124 18.238 25.384 10.299 1067 1HG1 ILE 124 1HG1 ILE 124 20.947 26.493 9.836 1068 2HG1 ILE 124 2HG1 ILE 124 20.017 27.192 11.160 1069 1HG2 ILE 124 3HG2 ILE 124 18.294 25.536 7.793 1070 2HG2 ILE 124 1HG2 ILE 124 19.943 26.145 7.929 1071 3HG2 ILE 124 2HG2 ILE 124 19.553 24.512 8.480 1072 1HD1 ILE 124 3HD1 ILE 124 20.101 24.224 10.890 1073 2HD1 ILE 124 1HD1 ILE 124 21.528 25.059 11.545 1074 3HD1 ILE 124 2HD1 ILE 124 19.954 25.224 12.356 1075 H LYS 125 H LYS 125 18.695 27.486 7.188 1076 HA LYS 125 HA LYS 125 21.168 28.831 7.151 1077 1HB LYS 125 1HB LYS 125 19.319 27.803 5.264 1078 2HB LYS 125 2HB LYS 125 19.666 29.469 4.796 1079 1HG LYS 125 1HG LYS 125 21.646 28.789 3.979 1080 2HG LYS 125 2HG LYS 125 22.118 28.380 5.625 1081 1HD LYS 125 1HD LYS 125 20.386 26.348 4.439 1082 2HD LYS 125 2HD LYS 125 21.874 26.581 3.525 1083 1HE LYS 125 1HE LYS 125 21.654 25.982 6.488 1084 2HE LYS 125 2HE LYS 125 22.276 24.905 5.236 1085 1HZ LYS 125 3HZ LYS 125 23.601 27.405 5.141 1086 2HZ LYS 125 1HZ LYS 125 23.704 26.753 6.706 1087 3HZ LYS 125 2HZ LYS 125 24.255 25.858 5.372 1088 H LYS 126 H LYS 126 17.886 30.165 6.992 1089 HA LYS 126 HA LYS 126 18.549 32.846 6.377 1090 1HB LYS 126 1HB LYS 126 16.340 31.587 7.974 1091 2HB LYS 126 2HB LYS 126 16.523 33.343 7.993 1092 1HG LYS 126 1HG LYS 126 16.754 32.241 5.298 1093 2HG LYS 126 2HG LYS 126 15.198 31.870 6.041 1094 1HD LYS 126 1HD LYS 126 15.752 34.557 6.710 1095 2HD LYS 126 2HD LYS 126 16.147 34.390 4.998 1096 1HE LYS 126 1HE LYS 126 13.907 33.220 4.716 1097 2HE LYS 126 2HE LYS 126 13.524 33.738 6.358 1098 1HZ LYS 126 1HZ LYS 126 14.302 36.037 5.403 1099 2HZ LYS 126 2HZ LYS 126 13.843 35.338 3.928 1100 3HZ LYS 126 3HZ LYS 126 12.710 35.488 5.184 1101 H LYS 127 H LYS 127 18.978 31.023 9.283 1102 HA LYS 127 HA LYS 127 20.015 33.422 10.725 1103 1HB LYS 127 1HB LYS 127 19.623 30.684 11.928 1104 2HB LYS 127 2HB LYS 127 19.678 32.243 12.748 1105 1HG LYS 127 1HG LYS 127 17.473 31.278 10.903 1106 2HG LYS 127 2HG LYS 127 17.364 31.430 12.657 1107 1HD LYS 127 1HD LYS 127 16.974 33.650 12.533 1108 2HD LYS 127 2HD LYS 127 18.303 33.888 11.394 1109 1HE LYS 127 1HE LYS 127 16.539 34.406 10.000 1110 2HE LYS 127 2HE LYS 127 16.601 32.662 9.743 1111 1HZ LYS 127 3HZ LYS 127 15.001 32.537 11.696 1112 2HZ LYS 127 1HZ LYS 127 14.755 34.198 11.461 1113 3HZ LYS 127 2HZ LYS 127 14.382 33.103 10.217 1114 H PHE 128 H PHE 128 20.753 30.532 9.097 1115 HA PHE 128 HA PHE 128 23.503 30.383 10.175 1116 1HB PHE 128 1HB PHE 128 21.635 28.531 8.836 1117 2HB PHE 128 2HB PHE 128 23.315 28.384 8.327 1118 HD1 PHE 128 HD2 PHE 128 22.333 29.781 11.518 1119 HD2 PHE 128 HD1 PHE 128 23.719 26.227 9.523 1120 HE1 PHE 128 HE2 PHE 128 22.798 28.734 13.703 1121 HE2 PHE 128 HE1 PHE 128 24.158 25.180 11.751 1122 HZ PHE 128 HZ PHE 128 23.699 26.436 13.830 1123 H GLN 129 H GLN 129 22.811 32.572 8.906 1124 HA GLN 129 HA GLN 129 23.331 32.692 6.095 1125 1HB GLN 129 1HB GLN 129 24.161 34.888 7.988 1126 2HB GLN 129 2HB GLN 129 23.476 35.027 6.370 1127 1HG GLN 129 1HG GLN 129 21.742 33.624 8.323 1128 2HG GLN 129 2HG GLN 129 22.028 35.328 8.671 1129 1HE2 GLN 129 2HE2 GLN 129 19.401 36.019 6.402 1130 2HE2 GLN 129 1HE2 GLN 129 19.958 36.126 8.002 1131 H GLY 130 H GLY 130 25.469 32.935 8.917 1132 1HA GLY 130 1HA GLY 130 27.808 32.655 7.073 1133 2HA GLY 130 2HA GLY 130 27.895 33.398 8.675 1134 H ILE 131 H ILE 131 26.679 30.318 7.309 1135 HA ILE 131 HA ILE 131 27.014 28.789 9.625 1136 HB ILE 131 HB ILE 131 26.317 28.412 6.865 1137 1HG1 ILE 131 1HG1 ILE 131 24.815 27.956 8.669 1138 2HG1 ILE 131 2HG1 ILE 131 25.162 26.435 7.840 1139 1HG2 ILE 131 2HG2 ILE 131 28.458 27.243 6.753 1140 2HG2 ILE 131 3HG2 ILE 131 27.957 26.250 8.137 1141 3HG2 ILE 131 1HG2 ILE 131 27.089 26.137 6.608 1142 1HD1 ILE 131 3HD1 ILE 131 27.169 26.390 9.516 1143 2HD1 ILE 131 1HD1 ILE 131 26.084 27.433 10.461 1144 3HD1 ILE 131 2HD1 ILE 131 25.551 25.805 9.999 1145 H LYS 132 H LYS 132 29.273 29.894 7.329 1146 HA LYS 132 HA LYS 132 31.641 29.794 7.437 1147 1HB LYS 132 1HB LYS 132 31.515 27.611 9.504 1148 2HB LYS 132 2HB LYS 132 32.762 28.829 9.252 1149 1HG LYS 132 1HG LYS 132 30.050 29.176 10.502 1150 2HG LYS 132 2HG LYS 132 31.621 29.535 11.197 1151 1HD LYS 132 1HD LYS 132 30.542 30.964 8.766 1152 2HD LYS 132 2HD LYS 132 30.328 31.563 10.409 1153 1HE LYS 132 1HE LYS 132 32.504 32.206 10.596 1154 2HE LYS 132 2HE LYS 132 33.097 30.788 9.734 1155 1HZ LYS 132 2HZ LYS 132 31.622 32.863 8.266 1156 2HZ LYS 132 3HZ LYS 132 33.257 33.118 8.649 1157 3HZ LYS 132 1HZ LYS 132 32.809 31.784 7.706 1158 H HIS 133 H HIS 133 29.814 26.786 7.920 1159 HA HIS 133 HA HIS 133 31.001 25.810 5.381 1160 1HB HIS 133 1HB HIS 133 31.769 24.731 8.046 1161 2HB HIS 133 2HB HIS 133 31.611 23.609 6.698 1162 HD1 HIS 133 HD1 HIS 133 32.622 25.516 4.441 1163 HD2 HIS 133 HD2 HIS 133 34.552 24.965 8.088 1164 HE1 HIS 133 HE1 HIS 133 35.031 26.216 4.090 1165 H GLU 134 H GLU 134 29.276 24.985 4.336 1166 HA GLU 134 HA GLU 134 27.224 23.630 5.984 1167 1HB GLU 134 1HB GLU 134 25.936 24.746 4.533 1168 2HB GLU 134 2HB GLU 134 27.207 24.884 3.321 1169 1HG GLU 134 1HG GLU 134 26.822 22.643 2.553 1170 2HG GLU 134 2HG GLU 134 25.777 22.292 3.932 1171 H CYS 135 H CYS 135 27.851 21.682 6.382 1172 HA CYS 135 HA CYS 135 28.938 19.982 4.147 1173 1HB CYS 135 1HB CYS 135 30.525 20.771 6.106 1174 2HB CYS 135 2HB CYS 135 29.728 19.471 6.991 1175 HG CYS 135 HG CYS 135 31.286 18.980 4.318 1176 H GLN 136 H GLN 136 27.531 18.328 3.723 1177 HA GLN 136 HA GLN 136 25.727 17.413 5.874 1178 1HB GLN 136 1HB GLN 136 24.761 17.759 3.615 1179 2HB GLN 136 2HB GLN 136 25.870 16.554 2.969 1180 1HG GLN 136 1HG GLN 136 24.801 14.785 4.049 1181 2HG GLN 136 2HG GLN 136 24.103 15.823 5.285 1182 1HE2 GLN 136 2HE2 GLN 136 21.220 16.601 3.368 1183 2HE2 GLN 136 1HE2 GLN 136 22.134 17.065 4.711 1184 H ALA 137 H ALA 137 25.500 15.069 6.286 1185 HA ALA 137 HA ALA 137 27.821 13.395 5.574 1186 1HB ALA 137 2HB ALA 137 27.151 14.178 8.414 1187 2HB ALA 137 3HB ALA 137 28.178 12.808 7.996 1188 3HB ALA 137 1HB ALA 137 28.673 14.445 7.565 1189 H ASN 138 H ASN 138 26.865 11.629 4.847 1190 HA ASN 138 HA ASN 138 24.470 10.633 6.313 1191 1HB ASN 138 1HB ASN 138 25.349 10.234 3.455 1192 2HB ASN 138 2HB ASN 138 24.079 9.262 4.208 1193 1HD2 ASN 138 2HD2 ASN 138 23.267 13.317 3.994 1194 2HD2 ASN 138 1HD2 ASN 138 24.833 12.810 4.402 1195 H GLY 139 H GLY 139 26.740 10.462 7.394 1196 1HA GLY 139 1HA GLY 139 27.190 7.899 8.281 1197 2HA GLY 139 2HA GLY 139 28.334 8.126 6.931 1198 HA PRO 140 HA PRO 140 29.245 10.871 10.702 1199 1HB PRO 140 1HB PRO 140 30.831 9.185 12.249 1200 2HB PRO 140 2HB PRO 140 29.102 9.466 12.528 1201 1HG PRO 140 1HG PRO 140 30.449 7.109 11.255 1202 2HG PRO 140 2HG PRO 140 28.950 7.169 12.200 1203 1HD PRO 140 1HD PRO 140 29.038 7.000 9.411 1204 2HD PRO 140 2HD PRO 140 27.647 7.612 10.328 1205 H GLU 141 H GLU 141 30.662 9.024 8.314 1206 HA GLU 141 HA GLU 141 33.458 9.831 8.692 1207 1HB GLU 141 1HB GLU 141 33.741 7.940 7.507 1208 2HB GLU 141 2HB GLU 141 31.997 7.827 7.217 1209 1HG GLU 141 1HG GLU 141 32.162 9.369 5.356 1210 2HG GLU 141 2HG GLU 141 33.881 9.611 5.667 1211 H ASP 142 H ASP 142 30.594 11.054 7.056 1212 HA ASP 142 HA ASP 142 32.104 12.503 5.034 1213 1HB ASP 142 1HB ASP 142 29.378 12.050 5.583 1214 2HB ASP 142 2HB ASP 142 29.614 13.789 5.776 1215 H LEU 143 H LEU 143 31.545 12.777 8.364 1216 HA LEU 143 HA LEU 143 32.063 15.652 8.581 1217 1HB LEU 143 1HB LEU 143 31.915 13.465 10.661 1218 2HB LEU 143 2HB LEU 143 32.058 15.188 11.010 1219 HG LEU 143 HG LEU 143 29.931 15.188 9.314 1220 1HD1 LEU 143 3HD1 LEU 143 29.994 12.698 9.251 1221 2HD1 LEU 143 1HD1 LEU 143 29.701 12.676 10.988 1222 3HD1 LEU 143 2HD1 LEU 143 28.478 13.325 9.895 1223 1HD2 LEU 143 3HD2 LEU 143 30.008 14.815 12.317 1224 2HD2 LEU 143 1HD2 LEU 143 29.977 16.338 11.434 1225 3HD2 LEU 143 2HD2 LEU 143 28.558 15.291 11.433 1226 H ASN 144 H ASN 144 33.781 13.010 7.825 1227 HA ASN 144 HA ASN 144 36.002 12.508 9.098 1228 1HB ASN 144 1HB ASN 144 35.342 12.421 6.478 1229 2HB ASN 144 2HB ASN 144 36.586 13.646 6.499 1230 1HD2 ASN 144 2HD2 ASN 144 38.441 10.660 8.232 1231 2HD2 ASN 144 1HD2 ASN 144 37.335 11.639 9.043 1232 H ARG 145 H ARG 145 38.033 13.478 9.366 1233 HA ARG 145 HA ARG 145 37.856 16.411 9.500 1234 1HB ARG 145 1HB ARG 145 40.357 16.006 10.411 1235 2HB ARG 145 2HB ARG 145 38.947 15.934 11.454 1236 1HG ARG 145 1HG ARG 145 39.455 13.810 11.977 1237 2HG ARG 145 2HG ARG 145 39.276 13.353 10.280 1238 1HD ARG 145 1HD ARG 145 41.535 13.526 9.836 1239 2HD ARG 145 2HD ARG 145 41.798 14.725 11.101 1240 HE ARG 145 HE ARG 145 41.294 12.651 12.665 1241 1HH1 ARG 145 1HH2 ARG 145 41.407 10.726 10.360 1242 2HH1 ARG 145 2HH2 ARG 145 43.063 10.220 10.398 1243 1HH2 ARG 145 1HH1 ARG 145 44.099 12.855 12.397 1244 2HH2 ARG 145 2HH1 ARG 145 44.586 11.424 11.551 1245 H ALA 146 H ALA 146 39.497 13.838 7.832 1246 HA ALA 146 HA ALA 146 41.353 15.452 6.322 1247 1HB ALA 146 1HB ALA 146 41.292 12.877 6.548 1248 2HB ALA 146 2HB ALA 146 39.959 12.930 5.381 1249 3HB ALA 146 3HB ALA 146 41.570 13.512 4.924 1250 H CYS 147 H CYS 147 38.088 14.289 5.994 1251 HA CYS 147 HA CYS 147 37.505 15.414 3.374 1252 1HB CYS 147 1HB CYS 147 36.310 13.573 4.749 1253 2HB CYS 147 2HB CYS 147 35.462 14.957 5.493 1254 HG CYS 147 HG CYS 147 35.119 13.979 2.562 1255 H ILE 148 H ILE 148 36.912 16.441 6.679 1256 HA ILE 148 HA ILE 148 35.538 18.828 5.915 1257 HB ILE 148 HB ILE 148 36.880 17.755 8.389 1258 1HG1 ILE 148 1HG1 ILE 148 34.831 16.999 8.919 1259 2HG1 ILE 148 2HG1 ILE 148 34.088 18.554 8.585 1260 1HG2 ILE 148 2HG2 ILE 148 35.630 20.441 7.886 1261 2HG2 ILE 148 3HG2 ILE 148 35.894 19.788 9.504 1262 3HG2 ILE 148 1HG2 ILE 148 37.266 20.086 8.433 1263 1HD1 ILE 148 2HD1 ILE 148 34.843 16.519 6.488 1264 2HD1 ILE 148 3HD1 ILE 148 33.234 16.653 7.193 1265 3HD1 ILE 148 1HD1 ILE 148 33.897 17.998 6.238 1266 H ALA 149 H ALA 149 38.658 17.537 6.067 1267 HA ALA 149 HA ALA 149 40.162 20.083 5.879 1268 1HB ALA 149 1HB ALA 149 40.823 17.161 5.998 1269 2HB ALA 149 2HB ALA 149 42.040 18.339 5.522 1270 3HB ALA 149 3HB ALA 149 41.304 18.424 7.123 1271 H GLU 150 H GLU 150 38.166 18.951 4.060 1272 HA GLU 150 HA GLU 150 39.544 19.157 1.469 1273 1HB GLU 150 1HB GLU 150 38.984 16.996 1.121 1274 2HB GLU 150 2HB GLU 150 38.009 16.945 2.589 1275 1HG GLU 150 1HG GLU 150 36.118 17.920 1.450 1276 2HG GLU 150 2HG GLU 150 37.079 18.214 0.001 1277 H LYS 151 H LYS 151 36.777 19.568 3.555 1278 HA LYS 151 HA LYS 151 35.168 21.056 1.647 1279 1HB LYS 151 1HB LYS 151 33.692 20.202 3.174 1280 2HB LYS 151 2HB LYS 151 34.972 19.885 4.347 1281 1HG LYS 151 1HG LYS 151 34.796 22.002 5.303 1282 2HG LYS 151 2HG LYS 151 34.056 22.706 3.861 1283 1HD LYS 151 1HD LYS 151 32.704 20.557 5.520 1284 2HD LYS 151 2HD LYS 151 32.448 22.289 5.792 1285 1HE LYS 151 1HE LYS 151 31.995 20.930 3.122 1286 2HE LYS 151 2HE LYS 151 30.717 21.248 4.294 1287 1HZ LYS 151 1HZ LYS 151 31.318 23.613 4.196 1288 2HZ LYS 151 2HZ LYS 151 32.455 23.266 2.980 1289 3HZ LYS 151 3HZ LYS 151 30.798 23.016 2.696 1290 H LEU 152 H LEU 152 37.650 21.343 3.986 1291 HA LEU 152 HA LEU 152 37.749 24.323 3.776 1292 1HB LEU 152 1HB LEU 152 38.925 22.400 5.819 1293 2HB LEU 152 2HB LEU 152 39.269 24.125 5.772 1294 HG LEU 152 HG LEU 152 36.440 23.809 5.709 1295 1HD1 LEU 152 1HD1 LEU 152 37.914 21.865 7.381 1296 2HD1 LEU 152 2HD1 LEU 152 36.669 22.780 8.236 1297 3HD1 LEU 152 3HD1 LEU 152 36.244 21.823 6.815 1298 1HD2 LEU 152 2HD2 LEU 152 38.450 24.764 7.764 1299 2HD2 LEU 152 3HD2 LEU 152 37.568 25.747 6.593 1300 3HD2 LEU 152 1HD2 LEU 152 36.705 24.987 7.934 1301 H GLY 153 H GLY 153 39.496 21.242 3.796 1302 1HA GLY 153 1HA GLY 153 42.018 22.341 2.821 1303 2HA GLY 153 2HA GLY 153 41.614 20.671 3.042 1304 H GLY 154 H GLY 154 39.145 21.556 1.429 1305 1HA GLY 154 1HA GLY 154 40.405 20.907 -1.207 1306 2HA GLY 154 2HA GLY 154 38.695 20.691 -0.842 1307 H SER 155 H SER 155 40.279 23.537 0.260 1308 HA SER 155 HA SER 155 39.302 25.134 -2.034 1309 1HB SER 155 1HB SER 155 38.662 26.297 0.591 1310 2HB SER 155 2HB SER 155 37.704 26.264 -0.887 1311 HG SER 155 HG SER 155 37.466 24.740 1.269 1312 H LEU 156 H LEU 156 40.732 25.539 1.253 1313 HA LEU 156 HA LEU 156 43.215 26.491 0.309 1314 1HB LEU 156 1HB LEU 156 42.653 28.948 0.970 1315 2HB LEU 156 2HB LEU 156 42.292 28.355 -0.655 1316 HG LEU 156 HG LEU 156 40.164 27.735 1.198 1317 1HD1 LEU 156 3HD1 LEU 156 41.265 30.019 2.007 1318 2HD1 LEU 156 1HD1 LEU 156 40.331 30.669 0.660 1319 3HD1 LEU 156 2HD1 LEU 156 39.514 29.814 1.967 1320 1HD2 LEU 156 3HD2 LEU 156 40.588 28.728 -1.527 1321 2HD2 LEU 156 1HD2 LEU 156 39.289 27.710 -0.900 1322 3HD2 LEU 156 2HD2 LEU 156 39.194 29.467 -0.738 1323 H ILE 157 H ILE 157 43.118 24.939 2.487 1324 HA ILE 157 HA ILE 157 43.182 26.943 4.661 1325 HB ILE 157 HB ILE 157 42.959 24.987 6.213 1326 1HG1 ILE 157 1HG1 ILE 157 42.162 23.633 3.634 1327 2HG1 ILE 157 2HG1 ILE 157 43.613 23.234 4.587 1328 1HG2 ILE 157 1HG2 ILE 157 41.098 26.515 4.843 1329 2HG2 ILE 157 2HG2 ILE 157 40.519 24.866 4.629 1330 3HG2 ILE 157 3HG2 ILE 157 40.775 25.506 6.252 1331 1HD1 ILE 157 3HD1 ILE 157 41.741 23.245 6.509 1332 2HD1 ILE 157 1HD1 ILE 157 40.775 22.685 5.134 1333 3HD1 ILE 157 2HD1 ILE 157 42.212 21.789 5.618 1334 H VAL 158 H VAL 158 44.632 24.472 6.049 1335 HA VAL 158 HA VAL 158 47.250 24.447 4.868 1336 HB VAL 158 HB VAL 158 46.617 26.429 7.026 1337 1HG1 VAL 158 2HG1 VAL 158 49.043 24.686 6.814 1338 2HG1 VAL 158 3HG1 VAL 158 49.251 26.362 7.320 1339 3HG1 VAL 158 1HG1 VAL 158 48.215 25.280 8.254 1340 1HG2 VAL 158 3HG2 VAL 158 48.186 26.334 4.465 1341 2HG2 VAL 158 1HG2 VAL 158 46.977 27.502 4.990 1342 3HG2 VAL 158 2HG2 VAL 158 48.593 27.539 5.687 1343 H ALA 159 H ALA 159 45.103 23.929 7.516 1344 HA ALA 159 HA ALA 159 46.646 21.563 8.416 1345 1HB ALA 159 3HB ALA 159 45.264 23.684 10.061 1346 2HB ALA 159 1HB ALA 159 45.686 22.097 10.703 1347 3HB ALA 159 2HB ALA 159 46.956 23.189 10.154 1348 H PHE 160 H PHE 160 45.353 19.897 9.112 1349 HA PHE 160 HA PHE 160 43.313 18.669 9.342 1350 1HB PHE 160 1HB PHE 160 42.223 21.224 9.010 1351 2HB PHE 160 2HB PHE 160 41.642 20.326 7.603 1352 HD1 PHE 160 HD1 PHE 160 42.494 19.179 11.028 1353 HD2 PHE 160 HD2 PHE 160 39.434 19.758 8.097 1354 HE1 PHE 160 HE1 PHE 160 40.871 18.017 12.512 1355 HE2 PHE 160 HE2 PHE 160 37.802 18.606 9.572 1356 HZ PHE 160 HZ PHE 160 38.515 17.732 11.775 1357 H GLU 161 H GLU 161 44.037 20.615 6.562 1358 HA GLU 161 HA GLU 161 44.052 18.245 4.782 1359 1HB GLU 161 1HB GLU 161 42.687 20.428 4.278 1360 2HB GLU 161 2HB GLU 161 44.256 21.092 3.830 1361 1HG GLU 161 1HG GLU 161 43.760 18.403 2.733 1362 2HG GLU 161 2HG GLU 161 42.642 19.622 2.131 1363 H GLY 162 H GLY 162 45.948 20.530 6.557 1364 1HA GLY 162 1HA GLY 162 48.315 19.825 4.854 1365 2HA GLY 162 2HA GLY 162 48.150 21.369 5.663 1366 H CYS 163 H CYS 163 48.291 21.337 8.105 1367 HA CYS 163 HA CYS 163 50.498 19.840 8.983 1368 1HB CYS 163 1HB CYS 163 48.597 21.670 10.256 1369 2HB CYS 163 2HB CYS 163 49.403 20.542 11.347 1370 HG CYS 163 HG CYS 163 51.025 22.416 9.436 1371 HA PRO 164 HA PRO 164 47.998 16.875 11.659 1372 1HB PRO 164 1HB PRO 164 45.261 17.200 11.738 1373 2HB PRO 164 2HB PRO 164 46.387 17.912 12.910 1374 1HG PRO 164 1HG PRO 164 44.974 19.205 10.619 1375 2HG PRO 164 2HG PRO 164 45.459 19.905 12.168 1376 1HD PRO 164 1HD PRO 164 46.882 20.341 9.802 1377 2HD PRO 164 2HD PRO 164 47.575 20.442 11.425 1378 H VAL 165 H VAL 165 46.166 17.935 8.778 1379 HA VAL 165 HA VAL 165 46.564 15.217 7.677 1380 HB VAL 165 HB VAL 165 43.838 15.593 7.118 1381 1HG1 VAL 165 3HG1 VAL 165 45.588 13.641 8.157 1382 2HG1 VAL 165 1HG1 VAL 165 44.265 13.772 9.315 1383 3HG1 VAL 165 2HG1 VAL 165 43.923 13.407 7.624 1384 1HG2 VAL 165 3HG2 VAL 165 44.184 17.143 9.287 1385 2HG2 VAL 165 1HG2 VAL 165 42.731 16.170 9.056 1386 3HG2 VAL 165 2HG2 VAL 165 44.033 15.588 10.094 No H/Q in entry = 1386 Start of MODEL 6 1 1H THR -8 2H THR -8 -3.149 26.202 -5.595 2 2H THR -8 3H THR -8 -2.906 25.511 -7.129 3 3H THR -8 1H THR -8 -4.112 26.684 -6.910 4 HA THR -8 HA THR -8 -5.604 25.213 -6.202 5 HB THR -8 HB THR -8 -3.506 23.169 -6.980 6 HG1 THR -8 HG1 THR -8 -5.329 23.879 -8.862 7 1HG2 THR -8 3HG2 THR -8 -6.087 22.861 -5.996 8 2HG2 THR -8 1HG2 THR -8 -6.291 22.730 -7.743 9 3HG2 THR -8 2HG2 THR -8 -5.176 21.654 -6.902 10 H MET -7 H MET -7 -2.550 23.619 -5.230 11 HA MET -7 HA MET -7 -3.530 22.338 -2.929 12 1HB MET -7 1HB MET -7 -1.276 22.054 -2.278 13 2HB MET -7 2HB MET -7 -1.188 22.203 -4.035 14 1HG MET -7 1HG MET -7 -1.023 24.810 -3.380 15 2HG MET -7 2HG MET -7 -0.306 24.112 -1.927 16 1HE MET -7 1HE MET -7 -0.624 23.980 -5.584 17 2HE MET -7 2HE MET -7 0.975 23.695 -6.268 18 3HE MET -7 3HE MET -7 0.049 22.345 -5.619 19 H ILE -6 H ILE -6 -3.052 22.946 -0.629 20 HA ILE -6 HA ILE -6 -3.013 25.873 -0.123 21 HB ILE -6 HB ILE -6 -5.279 25.772 0.167 22 1HG1 ILE -6 1HG1 ILE -6 -4.551 24.183 2.643 23 2HG1 ILE -6 2HG1 ILE -6 -4.285 25.919 2.487 24 1HG2 ILE -6 2HG2 ILE -6 -5.350 23.495 -0.841 25 2HG2 ILE -6 3HG2 ILE -6 -5.024 22.807 0.750 26 3HG2 ILE -6 1HG2 ILE -6 -6.525 23.686 0.460 27 1HD1 ILE -6 1HD1 ILE -6 -6.986 24.608 2.095 28 2HD1 ILE -6 2HD1 ILE -6 -6.453 25.295 3.629 29 3HD1 ILE -6 3HD1 ILE -6 -6.646 26.334 2.218 30 H THR -5 H THR -5 -2.458 26.308 2.211 31 HA THR -5 HA THR -5 -1.381 23.967 3.677 32 HB THR -5 HB THR -5 0.309 26.321 2.794 33 HG1 THR -5 HG1 THR -5 1.016 24.984 1.353 34 1HG2 THR -5 3HG2 THR -5 0.606 25.379 5.199 35 2HG2 THR -5 1HG2 THR -5 1.272 23.959 4.391 36 3HG2 THR -5 2HG2 THR -5 2.036 25.535 4.179 37 HA PRO -4 HA PRO -4 -3.131 26.936 6.640 38 1HB PRO -4 1HB PRO -4 -4.189 24.971 8.243 39 2HB PRO -4 2HB PRO -4 -5.022 25.614 6.816 40 1HG PRO -4 1HG PRO -4 -3.659 22.989 7.166 41 2HG PRO -4 2HG PRO -4 -4.963 23.434 6.055 42 1HD PRO -4 1HD PRO -4 -2.211 23.165 5.398 43 2HD PRO -4 2HD PRO -4 -3.480 23.861 4.367 44 H SER -3 H SER -3 -1.717 23.780 7.584 45 HA SER -3 HA SER -3 0.577 24.819 8.888 46 1HB SER -3 1HB SER -3 -0.650 24.021 11.249 47 2HB SER -3 2HB SER -3 -0.327 25.686 10.771 48 HG SER -3 HG SER -3 -2.667 24.176 10.192 49 H SER -2 H SER -2 0.284 22.681 7.266 50 HA SER -2 HA SER -2 -0.309 20.182 8.517 51 1HB SER -2 1HB SER -2 1.427 20.928 6.161 52 2HB SER -2 2HB SER -2 1.205 19.256 6.673 53 HG SER -2 HG SER -2 -0.396 19.615 5.230 54 H GLY -1 H GLY -1 1.371 18.468 8.976 55 1HA GLY -1 1HA GLY -1 3.214 19.390 10.974 56 2HA GLY -1 2HA GLY -1 3.147 17.751 10.331 57 H ASN 0 H ASN 0 5.409 17.540 10.128 58 HA ASN 0 HA ASN 0 6.723 19.422 8.215 59 1HB ASN 0 1HB ASN 0 8.679 17.728 9.331 60 2HB ASN 0 2HB ASN 0 8.396 19.419 9.750 61 1HD2 ASN 0 2HD2 ASN 0 7.575 16.603 12.472 62 2HD2 ASN 0 1HD2 ASN 0 8.490 16.312 11.072 63 H SER 1 H SER 1 5.950 18.422 6.297 64 HA SER 1 HA SER 1 6.718 15.571 5.859 65 1HB SER 1 1HB SER 1 5.272 17.025 3.725 66 2HB SER 1 2HB SER 1 4.977 15.421 4.388 67 HG SER 1 HG SER 1 4.010 16.409 6.180 68 H ALA 2 H ALA 2 6.757 18.650 4.011 69 HA ALA 2 HA ALA 2 9.126 17.688 2.512 70 1HB ALA 2 3HB ALA 2 7.417 20.189 2.297 71 2HB ALA 2 1HB ALA 2 8.852 19.909 1.310 72 3HB ALA 2 2HB ALA 2 7.463 18.832 1.172 73 H SER 3 H SER 3 8.183 19.753 5.096 74 HA SER 3 HA SER 3 10.883 20.088 6.039 75 1HB SER 3 1HB SER 3 10.131 22.790 5.919 76 2HB SER 3 2HB SER 3 11.418 22.013 5.009 77 HG SER 3 HG SER 3 9.648 23.146 3.814 78 H GLY 4 H GLY 4 8.404 22.564 6.489 79 1HA GLY 4 1HA GLY 4 6.807 22.815 8.216 80 2HA GLY 4 2HA GLY 4 7.182 21.181 8.754 81 H VAL 5 H VAL 5 9.983 21.515 9.188 82 HA VAL 5 HA VAL 5 10.200 22.246 11.816 83 HB VAL 5 HB VAL 5 12.256 21.533 11.205 84 1HG1 VAL 5 2HG1 VAL 5 11.542 22.762 8.572 85 2HG1 VAL 5 3HG1 VAL 5 13.201 22.262 8.887 86 3HG1 VAL 5 1HG1 VAL 5 11.894 21.073 8.953 87 1HG2 VAL 5 3HG2 VAL 5 12.551 24.479 10.567 88 2HG2 VAL 5 1HG2 VAL 5 12.824 23.698 12.129 89 3HG2 VAL 5 2HG2 VAL 5 13.898 23.363 10.771 90 H GLN 6 H GLN 6 11.158 24.171 12.827 91 HA GLN 6 HA GLN 6 10.567 26.717 11.467 92 1HB GLN 6 1HB GLN 6 9.293 27.444 13.522 93 2HB GLN 6 2HB GLN 6 8.495 26.215 12.539 94 1HG GLN 6 1HG GLN 6 10.203 24.851 14.264 95 2HG GLN 6 2HG GLN 6 9.352 26.040 15.253 96 1HE2 GLN 6 2HE2 GLN 6 7.031 23.398 13.141 97 2HE2 GLN 6 1HE2 GLN 6 8.455 23.984 12.441 98 H VAL 7 H VAL 7 13.091 25.423 12.500 99 HA VAL 7 HA VAL 7 14.994 26.109 13.709 100 HB VAL 7 HB VAL 7 13.502 28.729 13.571 101 1HG1 VAL 7 3HG1 VAL 7 16.251 27.910 14.377 102 2HG1 VAL 7 1HG1 VAL 7 16.089 29.407 13.461 103 3HG1 VAL 7 2HG1 VAL 7 15.251 29.219 15.001 104 1HG2 VAL 7 2HG2 VAL 7 14.355 27.091 11.512 105 2HG2 VAL 7 3HG2 VAL 7 14.038 28.824 11.381 106 3HG2 VAL 7 1HG2 VAL 7 15.679 28.248 11.685 107 H ALA 8 H ALA 8 15.702 26.865 15.756 108 HA ALA 8 HA ALA 8 13.596 26.504 17.837 109 1HB ALA 8 2HB ALA 8 15.812 25.026 17.124 110 2HB ALA 8 3HB ALA 8 16.392 25.951 18.515 111 3HB ALA 8 1HB ALA 8 14.971 24.908 18.684 112 H ASP 9 H ASP 9 15.958 28.682 16.650 113 HA ASP 9 HA ASP 9 16.464 30.864 17.480 114 1HB ASP 9 1HB ASP 9 15.508 29.974 20.210 115 2HB ASP 9 2HB ASP 9 15.763 31.616 19.627 116 H GLU 10 H GLU 10 16.991 27.925 19.346 117 HA GLU 10 HA GLU 10 19.483 28.692 20.523 118 1HB GLU 10 1HB GLU 10 18.735 26.744 21.515 119 2HB GLU 10 2HB GLU 10 17.915 26.203 20.058 120 1HG GLU 10 1HG GLU 10 19.576 24.713 19.830 121 2HG GLU 10 2HG GLU 10 20.619 26.051 19.384 122 H VAL 11 H VAL 11 18.320 27.864 17.371 123 HA VAL 11 HA VAL 11 20.838 27.106 16.128 124 HB VAL 11 HB VAL 11 18.358 26.866 15.300 125 1HG1 VAL 11 2HG1 VAL 11 19.023 29.695 14.508 126 2HG1 VAL 11 3HG1 VAL 11 17.824 28.726 13.663 127 3HG1 VAL 11 1HG1 VAL 11 17.604 29.095 15.374 128 1HG2 VAL 11 3HG2 VAL 11 20.582 26.356 14.080 129 2HG2 VAL 11 1HG2 VAL 11 19.134 26.572 13.095 130 3HG2 VAL 11 2HG2 VAL 11 20.304 27.883 13.238 131 H CYS 12 H CYS 12 19.024 30.079 16.757 132 HA CYS 12 HA CYS 12 21.001 31.806 15.460 133 1HB CYS 12 1HB CYS 12 18.666 32.542 15.636 134 2HB CYS 12 2HB CYS 12 18.731 32.413 17.392 135 HG CYS 12 HG CYS 12 20.500 34.465 15.822 136 H ARG 13 H ARG 13 21.048 29.955 18.161 137 HA ARG 13 HA ARG 13 22.985 31.726 19.611 138 1HB ARG 13 1HB ARG 13 21.808 31.285 21.508 139 2HB ARG 13 2HB ARG 13 20.635 30.368 20.571 140 1HG ARG 13 1HG ARG 13 21.381 28.776 22.103 141 2HG ARG 13 2HG ARG 13 22.419 28.436 20.724 142 1HD ARG 13 1HD ARG 13 24.056 28.604 22.340 143 2HD ARG 13 2HD ARG 13 23.923 30.319 21.941 144 HE ARG 13 HE ARG 13 22.015 29.631 23.980 145 1HH1 ARG 13 1HH2 ARG 13 25.103 30.884 23.271 146 2HH1 ARG 13 2HH2 ARG 13 25.573 31.068 24.928 147 1HH2 ARG 13 1HH1 ARG 13 22.720 29.554 26.183 148 2HH2 ARG 13 2HH1 ARG 13 24.225 30.315 26.576 149 H ILE 14 H ILE 14 22.607 29.192 17.529 150 HA ILE 14 HA ILE 14 24.872 27.695 18.661 151 HB ILE 14 HB ILE 14 23.036 27.154 16.316 152 1HG1 ILE 14 1HG1 ILE 14 23.528 25.146 18.450 153 2HG1 ILE 14 2HG1 ILE 14 22.591 26.559 18.930 154 1HG2 ILE 14 2HG2 ILE 14 25.751 26.320 16.896 155 2HG2 ILE 14 3HG2 ILE 14 24.652 24.941 16.790 156 3HG2 ILE 14 1HG2 ILE 14 24.784 26.062 15.436 157 1HD1 ILE 14 1HD1 ILE 14 21.858 25.320 16.314 158 2HD1 ILE 14 2HD1 ILE 14 21.462 24.394 17.768 159 3HD1 ILE 14 3HD1 ILE 14 20.827 26.021 17.563 160 H PHE 15 H PHE 15 23.844 28.984 15.501 161 HA PHE 15 HA PHE 15 26.495 29.129 14.393 162 1HB PHE 15 1HB PHE 15 25.139 29.676 12.623 163 2HB PHE 15 2HB PHE 15 23.801 30.096 13.708 164 HD1 PHE 15 HD2 PHE 15 27.131 31.379 12.536 165 HD2 PHE 15 HD1 PHE 15 23.209 32.325 14.016 166 HE1 PHE 15 HE2 PHE 15 27.589 33.799 12.224 167 HE2 PHE 15 HE1 PHE 15 23.668 34.732 13.703 168 HZ PHE 15 HZ PHE 15 25.858 35.477 12.802 169 H TYR 16 H TYR 16 24.352 31.312 16.073 170 HA TYR 16 HA TYR 16 25.661 33.702 16.341 171 1HB TYR 16 1HB TYR 16 23.861 33.763 17.738 172 2HB TYR 16 2HB TYR 16 23.918 32.000 17.977 173 HD1 TYR 16 HD1 TYR 16 25.587 31.044 19.549 174 HD2 TYR 16 HD2 TYR 16 24.760 35.237 19.401 175 HE1 TYR 16 HE1 TYR 16 26.570 31.291 21.780 176 HE2 TYR 16 HE2 TYR 16 25.753 35.509 21.661 177 HH TYR 16 HH TYR 16 27.723 33.709 23.033 178 H ASP 17 H ASP 17 26.488 30.591 17.764 179 HA ASP 17 HA ASP 17 28.608 31.829 19.391 180 1HB ASP 17 1HB ASP 17 27.040 29.626 19.787 181 2HB ASP 17 2HB ASP 17 28.502 28.883 19.137 182 H MET 18 H MET 18 30.553 29.859 19.170 183 HA MET 18 HA MET 18 32.387 29.378 17.790 184 1HB MET 18 1HB MET 18 30.001 28.780 16.364 185 2HB MET 18 2HB MET 18 31.341 29.201 15.284 186 1HG MET 18 1HG MET 18 31.289 26.779 15.968 187 2HG MET 18 2HG MET 18 32.787 27.615 16.353 188 1HE MET 18 3HE MET 18 29.832 26.068 16.884 189 2HE MET 18 1HE MET 18 29.921 25.358 18.494 190 3HE MET 18 2HE MET 18 29.119 26.893 18.282 191 H LYS 19 H LYS 19 33.243 30.094 15.421 192 HA LYS 19 HA LYS 19 32.948 32.159 13.857 193 1HB LYS 19 1HB LYS 19 33.006 33.324 16.573 194 2HB LYS 19 2HB LYS 19 34.132 34.066 15.454 195 1HG LYS 19 1HG LYS 19 31.881 35.162 15.435 196 2HG LYS 19 2HG LYS 19 32.368 34.532 13.863 197 1HD LYS 19 1HD LYS 19 31.076 32.388 14.566 198 2HD LYS 19 2HD LYS 19 30.328 33.424 15.782 199 1HE LYS 19 1HE LYS 19 30.410 34.257 12.889 200 2HE LYS 19 2HE LYS 19 29.133 33.204 13.496 201 1HZ LYS 19 1HZ LYS 19 29.335 35.222 15.342 202 2HZ LYS 19 2HZ LYS 19 29.472 36.008 13.846 203 3HZ LYS 19 3HZ LYS 19 28.117 35.037 14.173 204 H VAL 20 H VAL 20 35.298 32.857 16.335 205 HA VAL 20 HA VAL 20 37.430 31.288 15.122 206 HB VAL 20 HB VAL 20 37.566 34.311 15.121 207 1HG1 VAL 20 2HG1 VAL 20 39.558 32.313 15.123 208 2HG1 VAL 20 3HG1 VAL 20 39.478 32.917 13.464 209 3HG1 VAL 20 1HG1 VAL 20 39.771 34.033 14.800 210 1HG2 VAL 20 1HG2 VAL 20 37.114 32.321 12.888 211 2HG2 VAL 20 2HG2 VAL 20 36.015 33.591 13.430 212 3HG2 VAL 20 3HG2 VAL 20 37.530 34.017 12.628 213 H ARG 21 H ARG 21 38.657 34.055 16.553 214 HA ARG 21 HA ARG 21 39.128 32.601 19.056 215 1HB ARG 21 1HB ARG 21 40.090 35.327 18.131 216 2HB ARG 21 2HB ARG 21 40.631 34.491 19.587 217 1HG ARG 21 1HG ARG 21 41.084 32.538 17.794 218 2HG ARG 21 2HG ARG 21 41.276 33.935 16.735 219 1HD ARG 21 1HD ARG 21 42.626 33.978 19.408 220 2HD ARG 21 2HD ARG 21 43.334 33.002 18.120 221 HE ARG 21 HE ARG 21 43.949 34.999 17.015 222 1HH1 ARG 21 1HH2 ARG 21 41.892 36.676 16.451 223 2HH1 ARG 21 2HH2 ARG 21 41.863 37.908 17.668 224 1HH2 ARG 21 1HH1 ARG 21 43.807 36.107 19.908 225 2HH2 ARG 21 2HH1 ARG 21 42.948 37.584 19.628 226 H LYS 22 H LYS 22 36.634 34.328 17.887 227 HA LYS 22 HA LYS 22 35.999 36.394 19.653 228 1HB LYS 22 1HB LYS 22 34.591 34.729 17.791 229 2HB LYS 22 2HB LYS 22 33.620 34.880 19.257 230 1HG LYS 22 1HG LYS 22 33.090 37.007 18.755 231 2HG LYS 22 2HG LYS 22 34.793 37.433 18.575 232 1HD LYS 22 1HD LYS 22 34.447 36.045 16.286 233 2HD LYS 22 2HD LYS 22 32.806 36.659 16.501 234 1HE LYS 22 1HE LYS 22 33.562 38.569 15.553 235 2HE LYS 22 2HE LYS 22 34.372 38.864 17.091 236 1HZ LYS 22 3HZ LYS 22 35.720 37.113 15.188 237 2HZ LYS 22 1HZ LYS 22 35.676 38.769 14.813 238 3HZ LYS 22 2HZ LYS 22 36.372 38.250 16.270 239 H CYS 23 H CYS 23 36.839 35.806 21.759 240 HA CYS 23 HA CYS 23 34.879 34.298 23.359 241 1HB CYS 23 1HB CYS 23 37.717 33.579 23.871 242 2HB CYS 23 2HB CYS 23 36.247 32.644 24.158 243 HG CYS 23 HG CYS 23 36.236 31.885 21.729 244 H SER 24 H SER 24 34.373 35.881 24.810 245 HA SER 24 HA SER 24 35.490 38.138 25.761 246 1HB SER 24 1HB SER 24 33.903 36.059 26.889 247 2HB SER 24 2HB SER 24 35.153 36.442 28.083 248 HG SER 24 HG SER 24 34.516 38.642 27.912 249 H THR 25 H THR 25 36.199 35.167 27.139 250 HA THR 25 HA THR 25 39.094 35.397 26.980 251 HB THR 25 HB THR 25 38.115 36.188 29.343 252 HG1 THR 25 HG1 THR 25 39.926 34.955 30.294 253 1HG2 THR 25 1HG2 THR 25 36.631 34.213 29.443 254 2HG2 THR 25 2HG2 THR 25 38.069 33.181 29.491 255 3HG2 THR 25 3HG2 THR 25 37.733 34.293 30.827 256 HA PRO 26 HA PRO 26 37.325 31.694 25.361 257 1HB PRO 26 1HB PRO 26 39.706 30.624 24.423 258 2HB PRO 26 2HB PRO 26 38.764 31.870 23.586 259 1HG PRO 26 1HG PRO 26 41.267 32.171 25.204 260 2HG PRO 26 2HG PRO 26 40.712 33.119 23.812 261 1HD PRO 26 1HD PRO 26 40.497 33.954 26.486 262 2HD PRO 26 2HD PRO 26 39.512 34.583 25.148 263 H GLU 27 H GLU 27 39.544 31.928 27.934 264 HA GLU 27 HA GLU 27 40.097 29.139 28.436 265 1HB GLU 27 1HB GLU 27 40.028 31.575 30.218 266 2HB GLU 27 2HB GLU 27 40.605 29.993 30.746 267 1HG GLU 27 1HG GLU 27 42.220 30.032 28.803 268 2HG GLU 27 2HG GLU 27 41.748 31.711 28.530 269 H GLU 28 H GLU 28 37.229 30.838 28.510 270 HA GLU 28 HA GLU 28 35.986 28.799 30.268 271 1HB GLU 28 1HB GLU 28 34.520 30.558 31.238 272 2HB GLU 28 2HB GLU 28 36.218 30.861 31.605 273 1HG GLU 28 1HG GLU 28 36.248 32.313 29.489 274 2HG GLU 28 2HG GLU 28 34.489 32.240 29.551 275 H ILE 29 H ILE 29 35.931 31.000 27.656 276 HA ILE 29 HA ILE 29 33.426 30.825 26.655 277 HB ILE 29 HB ILE 29 36.006 31.542 25.931 278 1HG1 ILE 29 1HG1 ILE 29 34.439 32.964 24.380 279 2HG1 ILE 29 2HG1 ILE 29 33.182 32.271 25.389 280 1HG2 ILE 29 2HG2 ILE 29 34.266 30.077 24.003 281 2HG2 ILE 29 3HG2 ILE 29 35.651 31.066 23.511 282 3HG2 ILE 29 1HG2 ILE 29 35.907 29.655 24.548 283 1HD1 ILE 29 1HD1 ILE 29 34.946 32.911 27.280 284 2HD1 ILE 29 2HD1 ILE 29 35.321 34.158 26.089 285 3HD1 ILE 29 3HD1 ILE 29 33.686 34.025 26.736 286 H LYS 30 H LYS 30 36.100 28.584 26.530 287 HA LYS 30 HA LYS 30 34.860 26.754 24.641 288 1HB LYS 30 1HB LYS 30 36.660 25.574 26.681 289 2HB LYS 30 2HB LYS 30 36.755 25.467 24.932 290 1HG LYS 30 1HG LYS 30 37.362 28.069 25.262 291 2HG LYS 30 2HG LYS 30 37.988 27.413 26.772 292 1HD LYS 30 1HD LYS 30 38.628 25.975 24.227 293 2HD LYS 30 2HD LYS 30 39.497 27.466 24.589 294 1HE LYS 30 1HE LYS 30 39.926 26.433 26.915 295 2HE LYS 30 2HE LYS 30 39.427 24.907 26.188 296 1HZ LYS 30 1HZ LYS 30 41.204 26.081 24.420 297 2HZ LYS 30 2HZ LYS 30 41.898 26.255 25.961 298 3HZ LYS 30 3HZ LYS 30 41.468 24.714 25.389 299 H LYS 31 H LYS 31 34.887 27.386 28.010 300 HA LYS 31 HA LYS 31 33.231 25.048 28.736 301 1HB LYS 31 1HB LYS 31 34.651 27.224 30.177 302 2HB LYS 31 2HB LYS 31 33.155 26.668 30.925 303 1HG LYS 31 1HG LYS 31 34.071 24.289 30.607 304 2HG LYS 31 2HG LYS 31 35.626 25.057 30.278 305 1HD LYS 31 1HD LYS 31 34.099 25.888 32.721 306 2HD LYS 31 2HD LYS 31 34.981 24.361 32.751 307 1HE LYS 31 1HE LYS 31 36.951 25.793 31.773 308 2HE LYS 31 2HE LYS 31 36.045 27.155 32.433 309 1HZ LYS 31 2HZ LYS 31 36.074 25.170 34.378 310 2HZ LYS 31 3HZ LYS 31 37.662 25.290 33.791 311 3HZ LYS 31 1HZ LYS 31 36.880 26.665 34.408 312 H ARG 32 H ARG 32 32.704 27.966 27.276 313 HA ARG 32 HA ARG 32 30.207 28.664 28.604 314 1HB ARG 32 1HB ARG 32 32.003 29.849 26.574 315 2HB ARG 32 2HB ARG 32 30.285 30.191 26.343 316 1HG ARG 32 1HG ARG 32 30.148 31.509 28.196 317 2HG ARG 32 2HG ARG 32 31.132 30.409 29.153 318 1HD ARG 32 1HD ARG 32 33.180 31.370 28.358 319 2HD ARG 32 2HD ARG 32 32.342 32.223 27.050 320 HE ARG 32 HE ARG 32 32.474 33.917 28.764 321 1HH1 ARG 32 1HH1 ARG 32 32.489 31.567 30.901 322 2HH1 ARG 32 2HH1 ARG 32 31.081 32.015 31.804 323 1HH2 ARG 32 1HH2 ARG 32 29.961 34.289 29.440 324 2HH2 ARG 32 2HH2 ARG 32 29.652 33.555 30.979 325 H LYS 33 H LYS 33 30.999 26.336 26.473 326 HA LYS 33 HA LYS 33 29.663 24.904 25.155 327 1HB LYS 33 1HB LYS 33 27.881 26.087 26.983 328 2HB LYS 33 2HB LYS 33 27.112 26.220 25.402 329 1HG LYS 33 1HG LYS 33 28.137 23.657 25.348 330 2HG LYS 33 2HG LYS 33 27.633 23.831 27.030 331 1HD LYS 33 1HD LYS 33 25.743 22.985 25.775 332 2HD LYS 33 2HD LYS 33 25.405 24.663 26.202 333 1HE LYS 33 1HE LYS 33 25.852 25.434 24.012 334 2HE LYS 33 2HE LYS 33 26.704 23.955 23.572 335 1HZ LYS 33 1HZ LYS 33 23.848 23.901 24.322 336 2HZ LYS 33 2HZ LYS 33 24.324 24.270 22.736 337 3HZ LYS 33 3HZ LYS 33 24.733 22.767 23.417 338 H LYS 34 H LYS 34 29.622 24.941 22.965 339 HA LYS 34 HA LYS 34 28.255 27.113 21.604 340 1HB LYS 34 1HB LYS 34 30.310 27.792 20.298 341 2HB LYS 34 2HB LYS 34 30.289 28.300 21.978 342 1HG LYS 34 1HG LYS 34 31.476 25.648 21.615 343 2HG LYS 34 2HG LYS 34 32.353 26.917 20.765 344 1HD LYS 34 1HD LYS 34 31.502 27.663 23.482 345 2HD LYS 34 2HD LYS 34 32.650 26.326 23.432 346 1HE LYS 34 1HE LYS 34 33.955 28.329 23.525 347 2HE LYS 34 2HE LYS 34 34.058 27.748 21.866 348 1HZ LYS 34 1HZ LYS 34 32.087 29.250 21.424 349 2HZ LYS 34 2HZ LYS 34 32.421 29.971 22.924 350 3HZ LYS 34 3HZ LYS 34 33.582 30.015 21.688 351 H ALA 35 H ALA 35 30.432 24.250 21.193 352 HA ALA 35 HA ALA 35 29.609 23.785 18.474 353 1HB ALA 35 3HB ALA 35 31.252 22.458 20.497 354 2HB ALA 35 1HB ALA 35 30.402 21.349 19.418 355 3HB ALA 35 2HB ALA 35 31.492 22.583 18.765 356 H VAL 36 H VAL 36 28.137 22.302 17.873 357 HA VAL 36 HA VAL 36 26.398 21.035 19.854 358 HB VAL 36 HB VAL 36 24.520 22.576 18.927 359 1HG1 VAL 36 3HG1 VAL 36 25.908 22.570 21.314 360 2HG1 VAL 36 1HG1 VAL 36 26.077 24.228 20.768 361 3HG1 VAL 36 2HG1 VAL 36 24.475 23.529 20.983 362 1HG2 VAL 36 1HG2 VAL 36 27.008 24.241 18.573 363 2HG2 VAL 36 2HG2 VAL 36 25.943 23.685 17.281 364 3HG2 VAL 36 3HG2 VAL 36 25.363 24.855 18.472 365 H ILE 37 H ILE 37 24.484 20.108 19.003 366 HA ILE 37 HA ILE 37 24.312 19.786 16.068 367 HB ILE 37 HB ILE 37 24.100 17.821 18.356 368 1HG1 ILE 37 1HG1 ILE 37 25.117 16.911 15.769 369 2HG1 ILE 37 2HG1 ILE 37 26.041 18.261 16.434 370 1HG2 ILE 37 3HG2 ILE 37 22.785 17.690 15.658 371 2HG2 ILE 37 1HG2 ILE 37 23.027 16.277 16.697 372 3HG2 ILE 37 2HG2 ILE 37 22.023 17.619 17.249 373 1HD1 ILE 37 2HD1 ILE 37 25.787 16.854 18.676 374 2HD1 ILE 37 3HD1 ILE 37 25.654 15.503 17.550 375 3HD1 ILE 37 1HD1 ILE 37 27.096 16.521 17.548 376 H PHE 38 H PHE 38 21.691 19.061 15.819 377 HA PHE 38 HA PHE 38 19.997 19.813 17.975 378 1HB PHE 38 1HB PHE 38 19.061 21.831 16.449 379 2HB PHE 38 2HB PHE 38 20.135 22.046 17.816 380 HD1 PHE 38 HD1 PHE 38 19.821 21.992 14.197 381 HD2 PHE 38 HD2 PHE 38 22.519 22.587 17.469 382 HE1 PHE 38 HE1 PHE 38 21.431 23.101 12.662 383 HE2 PHE 38 HE2 PHE 38 24.124 23.665 15.931 384 HZ PHE 38 HZ PHE 38 23.587 23.937 13.541 385 H CYS 39 H CYS 39 17.525 19.991 17.024 386 HA CYS 39 HA CYS 39 17.165 19.008 14.376 387 1HB CYS 39 1HB CYS 39 16.680 16.584 14.831 388 2HB CYS 39 2HB CYS 39 18.371 17.049 14.982 389 HG CYS 39 HG CYS 39 17.209 17.336 17.681 390 H LEU 40 H LEU 40 15.230 20.449 14.852 391 HA LEU 40 HA LEU 40 12.894 20.324 14.603 392 1HB LEU 40 1HB LEU 40 12.983 17.485 15.555 393 2HB LEU 40 2HB LEU 40 11.790 18.250 14.523 394 HG LEU 40 HG LEU 40 14.486 17.251 13.820 395 1HD1 LEU 40 2HD1 LEU 40 11.728 17.270 12.806 396 2HD1 LEU 40 3HD1 LEU 40 12.944 17.497 11.550 397 3HD1 LEU 40 1HD1 LEU 40 12.999 16.066 12.579 398 1HD2 LEU 40 1HD2 LEU 40 13.435 19.943 12.997 399 2HD2 LEU 40 2HD2 LEU 40 15.102 19.440 13.296 400 3HD2 LEU 40 3HD2 LEU 40 14.290 18.968 11.802 401 H SER 41 H SER 41 12.560 18.089 17.242 402 HA SER 41 HA SER 41 12.256 19.797 19.441 403 1HB SER 41 1HB SER 41 10.808 21.306 18.371 404 2HB SER 41 2HB SER 41 10.017 20.035 17.448 405 HG SER 41 HG SER 41 8.593 20.385 19.014 406 H ALA 42 H ALA 42 10.202 18.984 20.872 407 HA ALA 42 HA ALA 42 10.488 16.179 21.209 408 1HB ALA 42 3HB ALA 42 9.432 18.013 22.794 409 2HB ALA 42 1HB ALA 42 7.931 17.562 21.982 410 3HB ALA 42 2HB ALA 42 8.851 16.350 22.874 411 H ASP 43 H ASP 43 8.043 18.092 19.465 412 HA ASP 43 HA ASP 43 6.827 15.595 18.429 413 1HB ASP 43 1HB ASP 43 5.592 17.850 19.131 414 2HB ASP 43 2HB ASP 43 5.989 18.306 17.473 415 H LYS 44 H LYS 44 9.408 17.514 17.724 416 HA LYS 44 HA LYS 44 10.846 17.517 15.903 417 1HB LYS 44 1HB LYS 44 9.088 15.295 15.377 418 2HB LYS 44 2HB LYS 44 9.449 16.136 13.869 419 1HG LYS 44 1HG LYS 44 11.092 14.303 14.508 420 2HG LYS 44 2HG LYS 44 11.805 15.875 14.188 421 1HD LYS 44 1HD LYS 44 12.879 15.487 16.166 422 2HD LYS 44 2HD LYS 44 11.376 16.102 16.860 423 1HE LYS 44 1HE LYS 44 10.501 13.804 17.033 424 2HE LYS 44 2HE LYS 44 12.000 13.183 16.341 425 1HZ LYS 44 1HZ LYS 44 13.098 14.479 18.249 426 2HZ LYS 44 2HZ LYS 44 11.557 14.453 18.963 427 3HZ LYS 44 3HZ LYS 44 12.353 12.997 18.602 428 H LYS 45 H LYS 45 10.888 19.486 15.308 429 HA LYS 45 HA LYS 45 9.332 20.466 13.054 430 1HB LYS 45 1HB LYS 45 8.939 21.242 15.916 431 2HB LYS 45 2HB LYS 45 8.676 22.456 14.658 432 1HG LYS 45 1HG LYS 45 7.217 20.608 13.522 433 2HG LYS 45 2HG LYS 45 7.220 19.857 15.116 434 1HD LYS 45 1HD LYS 45 6.079 21.659 16.107 435 2HD LYS 45 2HD LYS 45 6.463 22.750 14.778 436 1HE LYS 45 1HE LYS 45 4.978 21.561 13.285 437 2HE LYS 45 2HE LYS 45 4.702 20.304 14.490 438 1HZ LYS 45 3HZ LYS 45 4.066 22.544 15.836 439 2HZ LYS 45 1HZ LYS 45 3.537 22.931 14.268 440 3HZ LYS 45 2HZ LYS 45 2.945 21.544 15.042 441 H CYS 46 H CYS 46 10.399 22.761 15.355 442 HA CYS 46 HA CYS 46 12.164 24.377 14.130 443 1HB CYS 46 1HB CYS 46 12.590 23.117 16.860 444 2HB CYS 46 2HB CYS 46 13.278 24.663 16.325 445 HG CYS 46 HG CYS 46 10.911 24.851 17.719 446 H ILE 47 H ILE 47 14.591 24.443 15.043 447 HA ILE 47 HA ILE 47 15.960 22.235 13.653 448 HB ILE 47 HB ILE 47 16.417 24.897 13.579 449 1HG1 ILE 47 1HG1 ILE 47 18.682 24.301 12.759 450 2HG1 ILE 47 2HG1 ILE 47 18.466 22.690 13.425 451 1HG2 ILE 47 2HG2 ILE 47 18.098 23.804 15.837 452 2HG2 ILE 47 3HG2 ILE 47 18.596 25.190 14.877 453 3HG2 ILE 47 1HG2 ILE 47 17.090 25.255 15.816 454 1HD1 ILE 47 2HD1 ILE 47 16.145 23.110 11.998 455 2HD1 ILE 47 3HD1 ILE 47 17.408 23.838 10.982 456 3HD1 ILE 47 1HD1 ILE 47 17.541 22.130 11.482 457 H ILE 48 H ILE 48 15.086 23.216 16.769 458 HA ILE 48 HA ILE 48 15.548 22.577 18.922 459 HB ILE 48 HB ILE 48 15.529 20.196 17.251 460 1HG1 ILE 48 1HG1 ILE 48 13.860 19.595 18.687 461 2HG1 ILE 48 2HG1 ILE 48 14.634 20.300 20.088 462 1HG2 ILE 48 2HG2 ILE 48 17.699 19.903 18.719 463 2HG2 ILE 48 3HG2 ILE 48 16.545 19.718 20.038 464 3HG2 ILE 48 1HG2 ILE 48 16.493 18.616 18.672 465 1HD1 ILE 48 1HD1 ILE 48 13.809 22.182 17.937 466 2HD1 ILE 48 2HD1 ILE 48 12.523 21.471 18.904 467 3HD1 ILE 48 3HD1 ILE 48 13.796 22.395 19.688 468 H VAL 49 H VAL 49 17.387 21.296 20.316 469 HA VAL 49 HA VAL 49 19.729 22.887 19.611 470 HB VAL 49 HB VAL 49 19.995 23.317 21.833 471 1HG1 VAL 49 3HG1 VAL 49 17.514 23.625 20.964 472 2HG1 VAL 49 1HG1 VAL 49 17.183 22.398 22.186 473 3HG1 VAL 49 2HG1 VAL 49 17.922 23.929 22.653 474 1HG2 VAL 49 3HG2 VAL 49 19.253 20.462 22.094 475 2HG2 VAL 49 1HG2 VAL 49 20.486 21.383 22.956 476 3HG2 VAL 49 2HG2 VAL 49 18.797 21.488 23.457 477 H GLU 50 H GLU 50 19.089 19.453 19.977 478 HA GLU 50 HA GLU 50 21.243 18.363 18.939 479 1HB GLU 50 1HB GLU 50 23.037 18.151 20.694 480 2HB GLU 50 2HB GLU 50 22.884 19.778 20.055 481 1HG GLU 50 1HG GLU 50 21.099 19.872 22.110 482 2HG GLU 50 2HG GLU 50 22.280 18.752 22.765 483 H GLU 51 H GLU 51 18.709 17.944 20.768 484 HA GLU 51 HA GLU 51 17.848 16.138 22.002 485 1HB GLU 51 1HB GLU 51 18.198 14.157 20.789 486 2HB GLU 51 2HB GLU 51 18.542 15.440 19.629 487 1HG GLU 51 1HG GLU 51 20.679 14.934 19.474 488 2HG GLU 51 2HG GLU 51 20.864 14.694 21.191 489 H GLY 52 H GLY 52 20.654 17.270 22.729 490 1HA GLY 52 1HA GLY 52 21.730 16.928 24.888 491 2HA GLY 52 2HA GLY 52 21.256 15.231 24.797 492 H LYS 53 H LYS 53 22.824 17.154 22.229 493 HA LYS 53 HA LYS 53 25.163 15.279 22.350 494 1HB LYS 53 1HB LYS 53 24.371 16.983 19.975 495 2HB LYS 53 2HB LYS 53 25.405 15.564 19.989 496 1HG LYS 53 1HG LYS 53 22.794 14.859 20.990 497 2HG LYS 53 2HG LYS 53 22.638 15.667 19.428 498 1HD LYS 53 1HD LYS 53 22.950 13.317 18.972 499 2HD LYS 53 2HD LYS 53 24.467 14.123 18.562 500 1HE LYS 53 1HE LYS 53 25.597 13.074 20.225 501 2HE LYS 53 2HE LYS 53 24.322 13.395 21.397 502 1HZ LYS 53 3HZ LYS 53 23.586 11.453 19.415 503 2HZ LYS 53 1HZ LYS 53 24.918 10.969 20.352 504 3HZ LYS 53 2HZ LYS 53 23.455 11.378 21.107 505 H GLU 54 H GLU 54 26.195 17.451 20.305 506 HA GLU 54 HA GLU 54 27.203 19.542 20.299 507 1HB GLU 54 1HB GLU 54 25.995 20.961 21.505 508 2HB GLU 54 2HB GLU 54 25.453 19.709 22.579 509 1HG GLU 54 1HG GLU 54 28.228 20.900 22.890 510 2HG GLU 54 2HG GLU 54 26.809 21.688 23.580 511 H ILE 55 H ILE 55 29.165 20.331 20.651 512 HA ILE 55 HA ILE 55 30.927 19.085 22.712 513 HB ILE 55 HB ILE 55 31.259 19.556 19.847 514 1HG1 ILE 55 1HG1 ILE 55 33.031 18.277 21.909 515 2HG1 ILE 55 2HG1 ILE 55 31.730 17.429 21.027 516 1HG2 ILE 55 2HG2 ILE 55 32.503 21.573 20.854 517 2HG2 ILE 55 3HG2 ILE 55 33.522 20.401 21.663 518 3HG2 ILE 55 1HG2 ILE 55 33.465 20.454 19.912 519 1HD1 ILE 55 2HD1 ILE 55 33.029 18.916 19.127 520 2HD1 ILE 55 3HD1 ILE 55 34.343 18.267 20.112 521 3HD1 ILE 55 1HD1 ILE 55 33.188 17.183 19.347 522 H LEU 56 H LEU 56 32.638 21.065 23.148 523 HA LEU 56 HA LEU 56 31.416 23.592 22.490 524 1HB LEU 56 1HB LEU 56 31.404 24.288 24.963 525 2HB LEU 56 2HB LEU 56 30.050 23.369 24.305 526 HG LEU 56 HG LEU 56 30.885 21.330 25.225 527 1HD1 LEU 56 2HD1 LEU 56 33.306 22.990 25.974 528 2HD1 LEU 56 3HD1 LEU 56 33.052 21.304 26.435 529 3HD1 LEU 56 1HD1 LEU 56 33.250 21.740 24.737 530 1HD2 LEU 56 2HD2 LEU 56 30.154 23.589 26.693 531 2HD2 LEU 56 3HD2 LEU 56 30.115 21.918 27.269 532 3HD2 LEU 56 1HD2 LEU 56 31.533 22.925 27.573 533 H VAL 57 H VAL 57 33.979 22.337 21.993 534 HA VAL 57 HA VAL 57 36.165 23.225 21.823 535 HB VAL 57 HB VAL 57 34.873 25.562 23.248 536 1HG1 VAL 57 1HG1 VAL 57 37.619 25.031 22.959 537 2HG1 VAL 57 2HG1 VAL 57 37.220 26.241 21.740 538 3HG1 VAL 57 3HG1 VAL 57 36.865 26.556 23.446 539 1HG2 VAL 57 2HG2 VAL 57 35.458 24.890 20.371 540 2HG2 VAL 57 3HG2 VAL 57 33.907 25.319 21.096 541 3HG2 VAL 57 1HG2 VAL 57 35.161 26.546 20.899 542 H GLY 58 H GLY 58 34.944 24.123 25.116 543 1HA GLY 58 1HA GLY 58 37.336 23.844 26.507 544 2HA GLY 58 2HA GLY 58 35.769 23.425 27.209 545 H ASP 59 H ASP 59 34.898 21.244 26.329 546 HA ASP 59 HA ASP 59 36.433 19.111 27.190 547 1HB ASP 59 1HB ASP 59 34.439 19.125 24.899 548 2HB ASP 59 2HB ASP 59 35.034 17.671 25.708 549 H VAL 60 H VAL 60 36.189 20.276 23.805 550 HA VAL 60 HA VAL 60 37.951 18.572 22.526 551 HB VAL 60 HB VAL 60 37.519 21.539 22.244 552 1HG1 VAL 60 2HG1 VAL 60 39.564 19.812 20.858 553 2HG1 VAL 60 3HG1 VAL 60 38.923 21.276 20.111 554 3HG1 VAL 60 1HG1 VAL 60 39.806 21.376 21.635 555 1HG2 VAL 60 1HG2 VAL 60 35.818 19.917 21.422 556 2HG2 VAL 60 2HG2 VAL 60 36.541 20.844 20.106 557 3HG2 VAL 60 3HG2 VAL 60 37.048 19.178 20.395 558 H GLY 61 H GLY 61 39.647 17.800 23.659 559 1HA GLY 61 1HA GLY 61 42.101 18.174 23.916 560 2HA GLY 61 2HA GLY 61 41.710 19.749 24.614 561 H VAL 62 H VAL 62 39.586 17.246 25.385 562 HA VAL 62 HA VAL 62 40.876 16.543 27.953 563 HB VAL 62 HB VAL 62 38.071 17.614 27.489 564 1HG1 VAL 62 1HG1 VAL 62 39.215 15.920 29.666 565 2HG1 VAL 62 2HG1 VAL 62 38.051 17.174 30.102 566 3HG1 VAL 62 3HG1 VAL 62 37.598 15.908 28.957 567 1HG2 VAL 62 2HG2 VAL 62 40.047 19.165 27.858 568 2HG2 VAL 62 3HG2 VAL 62 38.698 19.354 28.980 569 3HG2 VAL 62 1HG2 VAL 62 40.153 18.494 29.489 570 H THR 63 H THR 63 37.550 15.882 27.076 571 HA THR 63 HA THR 63 38.043 13.027 26.916 572 HB THR 63 HB THR 63 35.620 14.681 26.145 573 HG1 THR 63 HG1 THR 63 35.021 13.495 28.270 574 1HG2 THR 63 1HG2 THR 63 35.808 12.372 25.153 575 2HG2 THR 63 2HG2 THR 63 35.791 11.738 26.798 576 3HG2 THR 63 3HG2 THR 63 34.394 12.618 26.178 577 H ILE 64 H ILE 64 38.420 15.734 24.926 578 HA ILE 64 HA ILE 64 38.535 14.018 22.492 579 HB ILE 64 HB ILE 64 38.004 16.610 21.610 580 1HG1 ILE 64 1HG1 ILE 64 36.398 15.930 24.093 581 2HG1 ILE 64 2HG1 ILE 64 37.301 17.409 23.774 582 1HG2 ILE 64 1HG2 ILE 64 37.095 14.169 21.077 583 2HG2 ILE 64 2HG2 ILE 64 35.772 14.690 22.125 584 3HG2 ILE 64 3HG2 ILE 64 36.148 15.597 20.655 585 1HD1 ILE 64 3HD1 ILE 64 35.710 17.537 21.662 586 2HD1 ILE 64 1HD1 ILE 64 34.674 16.502 22.647 587 3HD1 ILE 64 2HD1 ILE 64 35.142 18.100 23.234 588 H THR 65 H THR 65 39.661 16.145 20.846 589 HA THR 65 HA THR 65 41.976 17.172 22.328 590 HB THR 65 HB THR 65 43.349 15.852 20.353 591 HG1 THR 65 HG1 THR 65 42.502 13.894 20.110 592 1HG2 THR 65 3HG2 THR 65 43.445 16.084 23.043 593 2HG2 THR 65 1HG2 THR 65 42.951 14.396 22.908 594 3HG2 THR 65 2HG2 THR 65 44.444 14.944 22.144 595 H ASP 66 H ASP 66 39.767 17.906 20.235 596 HA ASP 66 HA ASP 66 39.791 19.939 18.996 597 1HB ASP 66 1HB ASP 66 42.269 20.061 19.855 598 2HB ASP 66 2HB ASP 66 42.635 19.597 18.189 599 HA PRO 67 HA PRO 67 40.649 17.420 15.044 600 1HB PRO 67 1HB PRO 67 39.750 14.828 15.263 601 2HB PRO 67 2HB PRO 67 41.420 15.289 15.581 602 1HG PRO 67 1HG PRO 67 39.268 14.611 17.534 603 2HG PRO 67 2HG PRO 67 41.021 14.392 17.668 604 1HD PRO 67 1HD PRO 67 39.537 16.478 18.859 605 2HD PRO 67 2HD PRO 67 41.297 16.423 18.640 606 H PHE 68 H PHE 68 38.219 15.228 15.029 607 HA PHE 68 HA PHE 68 35.955 17.046 15.498 608 1HB PHE 68 1HB PHE 68 35.315 17.381 13.305 609 2HB PHE 68 2HB PHE 68 37.067 17.272 13.054 610 HD1 PHE 68 HD1 PHE 68 38.101 15.048 12.580 611 HD2 PHE 68 HD2 PHE 68 33.866 15.690 12.463 612 HE1 PHE 68 HE1 PHE 68 37.812 12.914 11.384 613 HE2 PHE 68 HE2 PHE 68 33.586 13.547 11.256 614 HZ PHE 68 HZ PHE 68 35.550 12.151 10.736 615 H LYS 69 H LYS 69 37.201 13.930 14.432 616 HA LYS 69 HA LYS 69 34.778 12.486 14.151 617 1HB LYS 69 1HB LYS 69 36.251 10.471 14.664 618 2HB LYS 69 2HB LYS 69 36.785 11.502 13.336 619 1HG LYS 69 1HG LYS 69 38.781 11.483 14.432 620 2HG LYS 69 2HG LYS 69 38.025 12.698 15.462 621 1HD LYS 69 1HD LYS 69 37.755 11.259 17.206 622 2HD LYS 69 2HD LYS 69 37.446 9.876 16.154 623 1HE LYS 69 1HE LYS 69 40.144 11.143 16.709 624 2HE LYS 69 2HE LYS 69 39.593 9.568 17.278 625 1HZ LYS 69 2HZ LYS 69 39.205 9.180 14.741 626 2HZ LYS 69 3HZ LYS 69 40.371 10.402 14.575 627 3HZ LYS 69 1HZ LYS 69 40.750 8.976 15.418 628 H HIS 70 H HIS 70 35.495 14.009 17.007 629 HA HIS 70 HA HIS 70 34.591 11.725 18.675 630 1HB HIS 70 1HB HIS 70 35.939 12.818 20.140 631 2HB HIS 70 2HB HIS 70 35.862 14.326 19.212 632 HD1 HIS 70 HD1 HIS 70 33.605 12.235 21.463 633 HD2 HIS 70 HD2 HIS 70 34.084 16.166 20.247 634 HE1 HIS 70 HE1 HIS 70 31.900 13.611 22.715 635 H PHE 71 H PHE 71 33.770 15.071 17.847 636 HA PHE 71 HA PHE 71 31.207 15.135 19.032 637 1HB PHE 71 1HB PHE 71 31.760 17.275 18.404 638 2HB PHE 71 2HB PHE 71 32.785 16.717 17.094 639 HD1 PHE 71 HD1 PHE 71 31.450 15.726 15.009 640 HD2 PHE 71 HD2 PHE 71 29.846 18.412 17.955 641 HE1 PHE 71 HE1 PHE 71 29.718 16.460 13.396 642 HE2 PHE 71 HE2 PHE 71 28.104 19.125 16.359 643 HZ PHE 71 HZ PHE 71 28.038 18.159 14.067 644 H VAL 72 H VAL 72 32.421 13.658 16.137 645 HA VAL 72 HA VAL 72 29.939 13.350 14.733 646 HB VAL 72 HB VAL 72 31.141 11.659 13.495 647 1HG1 VAL 72 1HG1 VAL 72 32.910 13.915 14.382 648 2HG1 VAL 72 2HG1 VAL 72 33.326 12.812 13.074 649 3HG1 VAL 72 3HG1 VAL 72 31.906 13.841 12.934 650 1HG2 VAL 72 2HG2 VAL 72 32.875 11.623 15.912 651 2HG2 VAL 72 3HG2 VAL 72 32.040 10.270 15.157 652 3HG2 VAL 72 1HG2 VAL 72 33.452 10.989 14.376 653 H GLY 73 H GLY 73 31.697 11.551 17.171 654 1HA GLY 73 1HA GLY 73 30.072 9.264 17.419 655 2HA GLY 73 2HA GLY 73 30.945 10.005 18.769 656 H MET 74 H MET 74 29.697 12.602 18.612 657 HA MET 74 HA MET 74 27.331 12.156 20.160 658 1HB MET 74 1HB MET 74 28.100 14.596 18.539 659 2HB MET 74 2HB MET 74 26.905 14.545 19.831 660 1HG MET 74 1HG MET 74 28.778 13.675 21.345 661 2HG MET 74 2HG MET 74 29.896 14.151 20.065 662 1HE MET 74 3HE MET 74 29.442 16.188 18.779 663 2HE MET 74 1HE MET 74 29.424 17.783 19.557 664 3HE MET 74 2HE MET 74 30.799 16.683 19.802 665 H LEU 75 H LEU 75 27.935 12.888 16.794 666 HA LEU 75 HA LEU 75 25.210 12.799 15.890 667 1HB LEU 75 1HB LEU 75 27.662 12.024 14.297 668 2HB LEU 75 2HB LEU 75 26.176 12.735 13.698 669 HG LEU 75 HG LEU 75 28.204 14.088 15.481 670 1HD1 LEU 75 2HD1 LEU 75 27.499 14.165 12.570 671 2HD1 LEU 75 3HD1 LEU 75 28.084 15.633 13.347 672 3HD1 LEU 75 1HD1 LEU 75 29.081 14.180 13.341 673 1HD2 LEU 75 1HD2 LEU 75 25.703 14.632 15.844 674 2HD2 LEU 75 2HD2 LEU 75 26.781 15.988 15.508 675 3HD2 LEU 75 3HD2 LEU 75 25.756 15.338 14.229 676 HA PRO 76 HA PRO 76 25.177 8.271 16.306 677 1HB PRO 76 1HB PRO 76 22.478 8.118 16.805 678 2HB PRO 76 2HB PRO 76 23.661 8.535 18.049 679 1HG PRO 76 1HG PRO 76 21.685 10.267 16.711 680 2HG PRO 76 2HG PRO 76 22.529 10.517 18.244 681 1HD PRO 76 1HD PRO 76 23.166 11.688 15.669 682 2HD PRO 76 2HD PRO 76 24.005 11.937 17.207 683 H GLU 77 H GLU 77 22.474 7.254 15.323 684 HA GLU 77 HA GLU 77 22.752 8.005 12.449 685 1HB GLU 77 1HB GLU 77 21.913 5.277 13.377 686 2HB GLU 77 2HB GLU 77 22.611 5.743 11.822 687 1HG GLU 77 1HG GLU 77 24.778 6.071 12.806 688 2HG GLU 77 2HG GLU 77 24.116 5.938 14.437 689 H LYS 78 H LYS 78 20.770 7.809 15.148 690 HA LYS 78 HA LYS 78 18.299 7.311 13.640 691 1HB LYS 78 1HB LYS 78 17.236 6.981 15.685 692 2HB LYS 78 2HB LYS 78 18.857 6.353 15.954 693 1HG LYS 78 1HG LYS 78 18.164 9.216 16.602 694 2HG LYS 78 2HG LYS 78 17.850 7.925 17.750 695 1HD LYS 78 1HD LYS 78 20.515 8.824 16.648 696 2HD LYS 78 2HD LYS 78 19.996 8.769 18.330 697 1HE LYS 78 1HE LYS 78 19.694 6.189 17.816 698 2HE LYS 78 2HE LYS 78 20.865 6.528 16.541 699 1HZ LYS 78 3HZ LYS 78 21.681 7.775 18.931 700 2HZ LYS 78 1HZ LYS 78 21.361 6.140 19.247 701 3HZ LYS 78 2HZ LYS 78 22.475 6.568 18.036 702 H ASP 79 H ASP 79 19.987 10.125 13.808 703 HA ASP 79 HA ASP 79 17.504 11.608 13.481 704 1HB ASP 79 1HB ASP 79 18.643 11.561 16.072 705 2HB ASP 79 2HB ASP 79 18.987 13.156 15.413 706 H CYS 80 H CYS 80 17.801 13.165 12.079 707 HA CYS 80 HA CYS 80 20.461 13.542 10.916 708 1HB CYS 80 1HB CYS 80 18.540 13.191 9.441 709 2HB CYS 80 2HB CYS 80 17.757 14.614 10.111 710 HG CYS 80 HG CYS 80 20.514 15.077 8.781 711 H ARG 81 H ARG 81 20.125 14.610 13.482 712 HA ARG 81 HA ARG 81 19.410 17.282 13.744 713 1HB ARG 81 1HB ARG 81 21.845 16.090 15.054 714 2HB ARG 81 2HB ARG 81 20.748 17.281 15.734 715 1HG ARG 81 1HG ARG 81 18.938 15.456 15.527 716 2HG ARG 81 2HG ARG 81 20.276 14.355 15.268 717 1HD ARG 81 1HD ARG 81 21.311 15.277 17.395 718 2HD ARG 81 2HD ARG 81 19.769 16.075 17.696 719 HE ARG 81 HE ARG 81 18.985 13.994 18.439 720 1HH1 ARG 81 1HH1 ARG 81 21.554 13.626 16.163 721 2HH1 ARG 81 2HH1 ARG 81 21.465 11.910 16.163 722 1HH2 ARG 81 1HH2 ARG 81 18.980 11.749 18.564 723 2HH2 ARG 81 2HH2 ARG 81 20.058 10.835 17.563 724 H TYR 82 H TYR 82 20.318 19.263 13.218 725 HA TYR 82 HA TYR 82 22.661 19.187 11.452 726 1HB TYR 82 1HB TYR 82 20.777 21.318 12.421 727 2HB TYR 82 2HB TYR 82 22.276 21.761 11.604 728 HD1 TYR 82 HD2 TYR 82 22.044 18.955 9.998 729 HD2 TYR 82 HD1 TYR 82 19.566 22.415 10.495 730 HE1 TYR 82 HE2 TYR 82 20.994 18.491 7.821 731 HE2 TYR 82 HE1 TYR 82 18.494 21.949 8.304 732 HH TYR 82 HH TYR 82 18.186 20.290 6.731 733 H ALA 83 H ALA 83 24.567 20.858 12.070 734 HA ALA 83 HA ALA 83 24.767 21.197 14.950 735 1HB ALA 83 1HB ALA 83 26.518 19.175 13.571 736 2HB ALA 83 2HB ALA 83 26.762 19.751 15.220 737 3HB ALA 83 3HB ALA 83 25.304 18.847 14.804 738 H LEU 84 H LEU 84 26.023 22.832 15.474 739 HA LEU 84 HA LEU 84 28.122 23.768 13.586 740 1HB LEU 84 1HB LEU 84 26.602 25.368 15.595 741 2HB LEU 84 2HB LEU 84 27.923 25.982 14.629 742 HG LEU 84 HG LEU 84 25.181 25.132 13.712 743 1HD1 LEU 84 2HD1 LEU 84 26.964 27.541 13.228 744 2HD1 LEU 84 3HD1 LEU 84 25.378 27.321 12.516 745 3HD1 LEU 84 1HD1 LEU 84 25.537 27.495 14.260 746 1HD2 LEU 84 1HD2 LEU 84 26.936 23.951 12.349 747 2HD2 LEU 84 2HD2 LEU 84 25.989 25.110 11.436 748 3HD2 LEU 84 3HD2 LEU 84 27.622 25.526 11.954 749 H TYR 85 H TYR 85 29.887 22.887 14.241 750 HA TYR 85 HA TYR 85 30.476 22.913 17.166 751 1HB TYR 85 1HB TYR 85 30.657 20.685 16.644 752 2HB TYR 85 2HB TYR 85 31.043 21.006 14.949 753 HD1 TYR 85 HD2 TYR 85 32.361 21.159 18.405 754 HD2 TYR 85 HD1 TYR 85 33.289 21.216 14.196 755 HE1 TYR 85 HE2 TYR 85 34.809 20.982 18.929 756 HE2 TYR 85 HE1 TYR 85 35.708 20.998 14.725 757 HH TYR 85 HH TYR 85 37.250 21.093 16.354 758 H ASP 86 H ASP 86 32.038 24.250 17.782 759 HA ASP 86 HA ASP 86 33.449 26.016 16.119 760 1HB ASP 86 1HB ASP 86 33.355 25.522 18.841 761 2HB ASP 86 2HB ASP 86 35.029 25.145 18.430 762 H ALA 87 H ALA 87 34.428 25.117 14.285 763 HA ALA 87 HA ALA 87 36.181 22.770 14.589 764 1HB ALA 87 3HB ALA 87 34.840 23.995 12.421 765 2HB ALA 87 1HB ALA 87 36.570 24.155 12.091 766 3HB ALA 87 2HB ALA 87 35.866 22.559 12.370 767 H SER 88 H SER 88 38.374 22.834 14.855 768 HA SER 88 HA SER 88 39.645 25.527 14.632 769 1HB SER 88 1HB SER 88 39.665 25.000 16.913 770 2HB SER 88 2HB SER 88 40.105 23.324 16.611 771 HG SER 88 HG SER 88 42.122 23.908 16.524 772 H PHE 89 H PHE 89 40.344 25.268 12.626 773 HA PHE 89 HA PHE 89 42.470 23.206 12.138 774 1HB PHE 89 1HB PHE 89 41.662 22.935 9.885 775 2HB PHE 89 2HB PHE 89 40.260 22.776 10.951 776 HD1 PHE 89 HD2 PHE 89 42.128 25.169 8.798 777 HD2 PHE 89 HD1 PHE 89 38.475 24.354 10.904 778 HE1 PHE 89 HE2 PHE 89 41.053 27.120 7.696 779 HE2 PHE 89 HE1 PHE 89 37.408 26.310 9.813 780 HZ PHE 89 HZ PHE 89 38.697 27.693 8.207 781 H GLU 90 H GLU 90 44.019 23.912 10.397 782 HA GLU 90 HA GLU 90 44.279 26.889 10.374 783 1HB GLU 90 1HB GLU 90 46.391 24.810 9.749 784 2HB GLU 90 2HB GLU 90 46.620 26.567 9.719 785 1HG GLU 90 1HG GLU 90 46.719 26.722 11.950 786 2HG GLU 90 2HG GLU 90 45.376 25.591 12.171 787 H THR 91 H THR 91 45.062 27.806 8.323 788 HA THR 91 HA THR 91 44.303 26.155 6.010 789 HB THR 91 HB THR 91 42.260 27.257 6.315 790 HG1 THR 91 HG1 THR 91 42.144 28.782 4.757 791 1HG2 THR 91 3HG2 THR 91 43.212 28.523 8.279 792 2HG2 THR 91 1HG2 THR 91 43.764 29.755 7.134 793 3HG2 THR 91 2HG2 THR 91 42.038 29.425 7.325 794 H LYS 92 H LYS 92 44.620 27.924 3.868 795 HA LYS 92 HA LYS 92 47.399 28.531 3.838 796 1HB LYS 92 1HB LYS 92 45.154 29.968 2.373 797 2HB LYS 92 2HB LYS 92 46.861 29.993 1.924 798 1HG LYS 92 1HG LYS 92 45.301 27.411 2.133 799 2HG LYS 92 2HG LYS 92 45.356 28.349 0.638 800 1HD LYS 92 1HD LYS 92 47.622 27.952 0.309 801 2HD LYS 92 2HD LYS 92 47.932 27.705 2.029 802 1HE LYS 92 1HE LYS 92 47.684 25.484 1.775 803 2HE LYS 92 2HE LYS 92 46.052 25.728 1.150 804 1HZ LYS 92 2HZ LYS 92 48.340 26.235 -0.615 805 2HZ LYS 92 3HZ LYS 92 47.878 24.628 -0.318 806 3HZ LYS 92 1HZ LYS 92 46.772 25.718 -1.005 807 H GLU 93 H GLU 93 44.589 29.980 5.220 808 HA GLU 93 HA GLU 93 45.762 32.558 5.831 809 1HB GLU 93 1HB GLU 93 43.522 31.522 7.488 810 2HB GLU 93 2HB GLU 93 43.715 33.099 6.727 811 1HG GLU 93 1HG GLU 93 43.513 31.535 4.520 812 2HG GLU 93 2HG GLU 93 42.509 30.617 5.644 813 H SER 94 H SER 94 45.390 29.448 7.380 814 HA SER 94 HA SER 94 47.185 28.646 8.873 815 1HB SER 94 1HB SER 94 46.774 31.364 10.060 816 2HB SER 94 2HB SER 94 47.789 30.098 10.746 817 HG SER 94 HG SER 94 48.428 30.413 8.173 818 H ARG 95 H ARG 95 46.964 28.733 11.457 819 HA ARG 95 HA ARG 95 44.771 27.368 12.271 820 1HB ARG 95 1HB ARG 95 46.035 27.429 14.141 821 2HB ARG 95 2HB ARG 95 46.990 28.751 13.472 822 1HG ARG 95 1HG ARG 95 45.989 29.512 15.533 823 2HG ARG 95 2HG ARG 95 45.187 30.322 14.187 824 1HD ARG 95 1HD ARG 95 43.258 29.560 15.074 825 2HD ARG 95 2HD ARG 95 43.755 27.996 14.427 826 HE ARG 95 HE ARG 95 44.634 27.436 16.664 827 1HH1 ARG 95 1HH2 ARG 95 44.332 30.658 17.031 828 2HH1 ARG 95 2HH2 ARG 95 43.293 30.630 18.417 829 1HH2 ARG 95 1HH1 ARG 95 42.607 27.241 18.163 830 2HH2 ARG 95 2HH1 ARG 95 42.317 28.694 19.057 831 H LYS 96 H LYS 96 42.818 27.884 12.424 832 HA LYS 96 HA LYS 96 41.686 30.415 13.193 833 1HB LYS 96 1HB LYS 96 41.628 29.581 10.271 834 2HB LYS 96 2HB LYS 96 40.439 30.683 10.964 835 1HG LYS 96 1HG LYS 96 42.516 32.021 11.805 836 2HG LYS 96 2HG LYS 96 43.403 31.101 10.587 837 1HD LYS 96 1HD LYS 96 41.655 31.847 8.906 838 2HD LYS 96 2HD LYS 96 41.048 32.950 10.141 839 1HE LYS 96 1HE LYS 96 43.917 32.907 9.163 840 2HE LYS 96 2HE LYS 96 42.686 34.022 8.570 841 1HZ LYS 96 1HZ LYS 96 42.359 34.612 11.007 842 2HZ LYS 96 2HZ LYS 96 43.843 33.830 11.284 843 3HZ LYS 96 3HZ LYS 96 43.769 35.181 10.256 844 H GLU 97 H GLU 97 40.121 29.480 14.458 845 HA GLU 97 HA GLU 97 39.029 26.922 13.680 846 1HB GLU 97 1HB GLU 97 39.200 26.785 15.930 847 2HB GLU 97 2HB GLU 97 39.227 28.535 16.123 848 1HG GLU 97 1HG GLU 97 36.762 28.545 15.715 849 2HG GLU 97 2HG GLU 97 36.805 26.780 15.739 850 H GLU 98 H GLU 98 37.418 26.831 12.382 851 HA GLU 98 HA GLU 98 35.300 28.921 12.450 852 1HB GLU 98 1HB GLU 98 35.889 29.474 10.350 853 2HB GLU 98 2HB GLU 98 37.030 28.135 10.255 854 1HG GLU 98 1HG GLU 98 35.346 26.619 9.513 855 2HG GLU 98 2HG GLU 98 34.048 27.731 9.951 856 H LEU 99 H LEU 99 33.550 27.956 13.192 857 HA LEU 99 HA LEU 99 33.108 25.130 13.245 858 1HB LEU 99 1HB LEU 99 31.403 25.688 14.566 859 2HB LEU 99 2HB LEU 99 32.030 27.320 14.420 860 HG LEU 99 HG LEU 99 29.693 26.097 12.948 861 1HD1 LEU 99 2HD1 LEU 99 29.706 27.302 15.324 862 2HD1 LEU 99 3HD1 LEU 99 29.827 28.769 14.363 863 3HD1 LEU 99 1HD1 LEU 99 28.447 27.700 14.162 864 1HD2 LEU 99 3HD2 LEU 99 31.549 28.258 12.154 865 2HD2 LEU 99 1HD2 LEU 99 30.414 27.333 11.158 866 3HD2 LEU 99 2HD2 LEU 99 29.841 28.707 12.116 867 H MET 100 H MET 100 31.019 24.211 12.265 868 HA MET 100 HA MET 100 30.707 25.165 9.475 869 1HB MET 100 1HB MET 100 31.780 22.527 10.355 870 2HB MET 100 2HB MET 100 31.305 22.917 8.699 871 1HG MET 100 1HG MET 100 32.882 24.815 8.678 872 2HG MET 100 2HG MET 100 33.392 24.409 10.313 873 1HE MET 100 3HE MET 100 32.323 21.452 8.537 874 2HE MET 100 1HE MET 100 33.789 20.504 8.718 875 3HE MET 100 2HE MET 100 33.085 21.302 10.124 876 H PHE 101 H PHE 101 28.660 24.726 8.629 877 HA PHE 101 HA PHE 101 26.624 23.777 10.321 878 1HB PHE 101 1HB PHE 101 26.518 25.217 8.156 879 2HB PHE 101 2HB PHE 101 26.478 23.663 7.347 880 HD1 PHE 101 HD1 PHE 101 25.038 23.680 10.642 881 HD2 PHE 101 HD2 PHE 101 24.244 24.407 6.491 882 HE1 PHE 101 HE1 PHE 101 22.618 23.467 11.078 883 HE2 PHE 101 HE2 PHE 101 21.806 24.223 6.928 884 HZ PHE 101 HZ PHE 101 20.989 23.743 9.233 885 H PHE 102 H PHE 102 25.942 21.626 10.740 886 HA PHE 102 HA PHE 102 27.185 19.607 8.917 887 1HB PHE 102 1HB PHE 102 26.974 19.735 11.851 888 2HB PHE 102 2HB PHE 102 26.589 18.165 11.138 889 HD1 PHE 102 HD2 PHE 102 28.196 17.402 9.168 890 HD2 PHE 102 HD1 PHE 102 29.182 20.248 12.248 891 HE1 PHE 102 HE2 PHE 102 30.633 17.047 8.745 892 HE2 PHE 102 HE1 PHE 102 31.590 19.907 11.829 893 HZ PHE 102 HZ PHE 102 32.324 18.295 10.072 894 H LEU 103 H LEU 103 25.742 18.585 7.696 895 HA LEU 103 HA LEU 103 22.917 18.538 8.518 896 1HB LEU 103 1HB LEU 103 24.286 17.742 5.959 897 2HB LEU 103 2HB LEU 103 22.589 17.437 6.265 898 HG LEU 103 HG LEU 103 22.021 19.631 6.024 899 1HD1 LEU 103 1HD1 LEU 103 23.310 20.266 8.093 900 2HD1 LEU 103 2HD1 LEU 103 24.753 20.433 7.091 901 3HD1 LEU 103 3HD1 LEU 103 23.382 21.508 6.844 902 1HD2 LEU 103 2HD2 LEU 103 24.681 19.328 4.646 903 2HD2 LEU 103 3HD2 LEU 103 23.071 19.397 3.934 904 3HD2 LEU 103 1HD2 LEU 103 23.816 20.863 4.571 905 H TRP 104 H TRP 104 24.460 17.204 10.210 906 HA TRP 104 HA TRP 104 25.199 14.584 9.721 907 1HB TRP 104 1HB TRP 104 25.366 15.573 12.009 908 2HB TRP 104 2HB TRP 104 23.611 15.482 12.172 909 HD1 TRP 104 HD1 TRP 104 23.366 13.548 13.974 910 HE1 TRP 104 HE1 TRP 104 23.999 11.046 13.930 911 HE3 TRP 104 HE3 TRP 104 26.315 13.428 9.790 912 HZ2 TRP 104 HZ2 TRP 104 25.671 9.250 12.286 913 HZ3 TRP 104 HZ3 TRP 104 27.328 11.400 9.015 914 HH2 TRP 104 HH2 TRP 104 27.019 9.279 10.256 915 H ALA 105 H ALA 105 23.913 13.420 8.255 916 HA ALA 105 HA ALA 105 21.073 12.895 9.060 917 1HB ALA 105 2HB ALA 105 21.470 14.578 7.088 918 2HB ALA 105 3HB ALA 105 21.887 13.136 6.165 919 3HB ALA 105 1HB ALA 105 20.281 13.293 6.873 920 HA PRO 106 HA PRO 106 23.059 8.864 8.465 921 1HB PRO 106 1HB PRO 106 21.239 7.498 10.006 922 2HB PRO 106 2HB PRO 106 22.652 8.348 10.654 923 1HG PRO 106 1HG PRO 106 19.775 9.154 10.726 924 2HG PRO 106 2HG PRO 106 21.084 9.556 11.851 925 1HD PRO 106 1HD PRO 106 20.058 11.262 9.854 926 2HD PRO 106 2HD PRO 106 21.595 11.490 10.720 927 H GLU 107 H GLU 107 22.388 6.916 7.361 928 HA GLU 107 HA GLU 107 20.294 7.382 5.391 929 1HB GLU 107 1HB GLU 107 21.917 4.875 5.933 930 2HB GLU 107 2HB GLU 107 20.976 5.215 4.481 931 1HG GLU 107 1HG GLU 107 23.089 7.160 5.354 932 2HG GLU 107 2HG GLU 107 23.560 5.694 4.491 933 H LEU 108 H LEU 108 20.239 6.318 8.555 934 HA LEU 108 HA LEU 108 17.941 4.501 8.075 935 1HB LEU 108 1HB LEU 108 18.468 4.240 10.732 936 2HB LEU 108 2HB LEU 108 19.158 3.206 9.484 937 HG LEU 108 HG LEU 108 20.459 5.779 10.363 938 1HD1 LEU 108 1HD1 LEU 108 20.580 3.008 11.506 939 2HD1 LEU 108 2HD1 LEU 108 22.041 3.996 11.499 940 3HD1 LEU 108 3HD1 LEU 108 20.597 4.561 12.343 941 1HD2 LEU 108 1HD2 LEU 108 20.812 4.049 8.210 942 2HD2 LEU 108 2HD2 LEU 108 21.961 5.269 8.768 943 3HD2 LEU 108 3HD2 LEU 108 22.102 3.603 9.340 944 H ALA 109 H ALA 109 18.927 7.549 9.303 945 HA ALA 109 HA ALA 109 17.213 8.228 11.334 946 1HB ALA 109 1HB ALA 109 18.319 9.705 9.042 947 2HB ALA 109 2HB ALA 109 16.821 10.402 9.680 948 3HB ALA 109 3HB ALA 109 18.217 10.173 10.740 949 HA PRO 110 HA PRO 110 13.064 7.894 10.097 950 1HB PRO 110 1HB PRO 110 12.020 10.239 11.125 951 2HB PRO 110 2HB PRO 110 12.435 8.822 12.107 952 1HG PRO 110 1HG PRO 110 13.931 11.395 11.794 953 2HG PRO 110 2HG PRO 110 13.861 10.301 13.183 954 1HD PRO 110 1HD PRO 110 15.992 10.453 11.374 955 2HD PRO 110 2HD PRO 110 15.660 9.072 12.443 956 H LEU 111 H LEU 111 11.549 8.650 8.516 957 HA LEU 111 HA LEU 111 12.720 10.096 6.312 958 1HB LEU 111 1HB LEU 111 10.055 8.902 6.936 959 2HB LEU 111 2HB LEU 111 10.174 10.034 5.589 960 HG LEU 111 HG LEU 111 10.538 7.662 4.882 961 1HD1 LEU 111 2HD1 LEU 111 12.120 9.953 4.314 962 2HD1 LEU 111 3HD1 LEU 111 13.215 8.573 4.367 963 3HD1 LEU 111 1HD1 LEU 111 11.832 8.560 3.273 964 1HD2 LEU 111 2HD2 LEU 111 11.804 7.297 7.203 965 2HD2 LEU 111 3HD2 LEU 111 12.213 6.338 5.781 966 3HD2 LEU 111 1HD2 LEU 111 13.211 7.723 6.229 967 H LYS 112 H LYS 112 11.703 11.339 9.155 968 HA LYS 112 HA LYS 112 10.479 13.738 7.890 969 1HB LYS 112 1HB LYS 112 10.438 14.247 10.583 970 2HB LYS 112 2HB LYS 112 9.087 13.599 9.672 971 1HG LYS 112 1HG LYS 112 9.133 11.886 11.142 972 2HG LYS 112 2HG LYS 112 10.577 11.335 10.318 973 1HD LYS 112 1HD LYS 112 10.398 13.067 12.785 974 2HD LYS 112 2HD LYS 112 11.174 11.492 12.625 975 1HE LYS 112 1HE LYS 112 12.796 12.527 11.003 976 2HE LYS 112 2HE LYS 112 12.084 14.097 11.366 977 1HZ LYS 112 1HZ LYS 112 13.176 12.302 13.456 978 2HZ LYS 112 2HZ LYS 112 14.094 13.515 12.706 979 3HZ LYS 112 3HZ LYS 112 12.723 13.932 13.617 980 H SER 113 H SER 113 13.391 12.571 9.163 981 HA SER 113 HA SER 113 14.360 15.380 9.520 982 1HB SER 113 1HB SER 113 14.767 12.983 11.089 983 2HB SER 113 2HB SER 113 16.315 13.530 10.456 984 HG SER 113 HG SER 113 14.586 15.466 11.458 985 H LYS 114 H LYS 114 13.994 14.422 7.007 986 HA LYS 114 HA LYS 114 16.715 14.508 5.914 987 1HB LYS 114 1HB LYS 114 15.267 12.393 4.551 988 2HB LYS 114 2HB LYS 114 16.880 12.343 5.257 989 1HG LYS 114 1HG LYS 114 15.831 11.979 7.506 990 2HG LYS 114 2HG LYS 114 14.256 11.887 6.716 991 1HD LYS 114 1HD LYS 114 15.093 9.630 7.010 992 2HD LYS 114 2HD LYS 114 15.165 10.022 5.291 993 1HE LYS 114 1HE LYS 114 17.551 10.620 5.531 994 2HE LYS 114 2HE LYS 114 17.480 10.210 7.243 995 1HZ LYS 114 3HZ LYS 114 16.931 8.341 5.002 996 2HZ LYS 114 1HZ LYS 114 18.362 8.390 5.911 997 3HZ LYS 114 2HZ LYS 114 16.899 7.952 6.657 998 H MET 115 H MET 115 13.346 13.740 5.168 999 HA MET 115 HA MET 115 13.243 15.118 2.617 1000 1HB MET 115 1HB MET 115 10.977 14.670 4.572 1001 2HB MET 115 2HB MET 115 10.869 14.803 2.811 1002 1HG MET 115 1HG MET 115 12.689 12.663 3.645 1003 2HG MET 115 2HG MET 115 11.046 12.414 4.232 1004 1HE MET 115 3HE MET 115 12.565 10.628 2.638 1005 2HE MET 115 1HE MET 115 11.891 10.242 1.058 1006 3HE MET 115 2HE MET 115 13.222 11.389 1.183 1007 H ILE 116 H ILE 116 12.806 15.882 5.973 1008 HA ILE 116 HA ILE 116 11.467 18.364 5.596 1009 HB ILE 116 HB ILE 116 12.665 16.638 7.656 1010 1HG1 ILE 116 1HG1 ILE 116 10.528 16.301 8.273 1011 2HG1 ILE 116 2HG1 ILE 116 10.156 18.019 8.259 1012 1HG2 ILE 116 3HG2 ILE 116 12.378 19.571 7.882 1013 2HG2 ILE 116 1HG2 ILE 116 12.024 18.572 9.296 1014 3HG2 ILE 116 2HG2 ILE 116 13.603 18.471 8.519 1015 1HD1 ILE 116 3HD1 ILE 116 10.450 16.427 5.714 1016 2HD1 ILE 116 1HD1 ILE 116 8.912 16.548 6.556 1017 3HD1 ILE 116 2HD1 ILE 116 9.683 17.999 5.932 1018 H TYR 117 H TYR 117 14.581 17.263 6.652 1019 HA TYR 117 HA TYR 117 15.814 19.755 7.201 1020 1HB TYR 117 1HB TYR 117 16.661 16.983 6.650 1021 2HB TYR 117 2HB TYR 117 17.891 18.252 6.459 1022 HD1 TYR 117 HD1 TYR 117 17.272 20.180 8.503 1023 HD2 TYR 117 HD2 TYR 117 16.999 15.908 8.695 1024 HE1 TYR 117 HE1 TYR 117 17.527 20.277 10.966 1025 HE2 TYR 117 HE2 TYR 117 17.247 16.002 11.163 1026 HH TYR 117 HH TYR 117 16.726 17.865 12.975 1027 H ALA 118 H ALA 118 15.335 17.894 4.336 1028 HA ALA 118 HA ALA 118 17.051 19.057 2.477 1029 1HB ALA 118 1HB ALA 118 14.602 17.561 2.526 1030 2HB ALA 118 2HB ALA 118 14.468 18.831 1.301 1031 3HB ALA 118 3HB ALA 118 15.792 17.667 1.217 1032 H SER 119 H SER 119 14.007 20.258 3.825 1033 HA SER 119 HA SER 119 14.437 22.864 2.429 1034 1HB SER 119 1HB SER 119 12.040 21.354 3.332 1035 2HB SER 119 2HB SER 119 11.968 23.107 3.461 1036 HG SER 119 HG SER 119 12.301 23.279 1.294 1037 H SER 120 H SER 120 14.922 21.374 5.383 1038 HA SER 120 HA SER 120 14.157 23.566 7.152 1039 1HB SER 120 1HB SER 120 16.244 21.469 7.747 1040 2HB SER 120 2HB SER 120 15.261 22.364 8.897 1041 HG SER 120 HG SER 120 14.247 20.447 8.705 1042 H LYS 121 H LYS 121 16.915 22.604 5.311 1043 HA LYS 121 HA LYS 121 18.649 24.633 6.464 1044 1HB LYS 121 1HB LYS 121 18.864 22.622 4.283 1045 2HB LYS 121 2HB LYS 121 20.061 23.925 4.433 1046 1HG LYS 121 1HG LYS 121 20.262 23.345 6.872 1047 2HG LYS 121 2HG LYS 121 19.229 21.963 6.538 1048 1HD LYS 121 1HD LYS 121 21.606 21.320 6.465 1049 2HD LYS 121 2HD LYS 121 20.814 21.081 4.910 1050 1HE LYS 121 1HE LYS 121 21.809 23.770 5.018 1051 2HE LYS 121 2HE LYS 121 23.115 22.678 5.466 1052 1HZ LYS 121 3HZ LYS 121 22.289 21.332 3.443 1053 2HZ LYS 121 1HZ LYS 121 21.575 22.794 2.964 1054 3HZ LYS 121 2HZ LYS 121 23.257 22.704 3.189 1055 H ASP 122 H ASP 122 17.274 26.132 6.206 1056 HA ASP 122 HA ASP 122 17.596 28.067 4.162 1057 1HB ASP 122 1HB ASP 122 15.774 26.103 3.378 1058 2HB ASP 122 2HB ASP 122 14.740 27.324 4.128 1059 H ALA 123 H ALA 123 15.557 26.497 6.498 1060 HA ALA 123 HA ALA 123 14.538 28.955 7.740 1061 1HB ALA 123 2HB ALA 123 13.579 26.510 7.758 1062 2HB ALA 123 3HB ALA 123 14.730 26.267 9.079 1063 3HB ALA 123 1HB ALA 123 13.456 27.483 9.228 1064 H ILE 124 H ILE 124 16.841 26.388 8.631 1065 HA ILE 124 HA ILE 124 17.987 27.642 10.909 1066 HB ILE 124 HB ILE 124 18.375 25.294 10.388 1067 1HG1 ILE 124 1HG1 ILE 124 21.065 26.456 9.982 1068 2HG1 ILE 124 2HG1 ILE 124 20.158 27.071 11.360 1069 1HG2 ILE 124 3HG2 ILE 124 18.415 25.870 7.860 1070 2HG2 ILE 124 1HG2 ILE 124 20.132 26.197 8.120 1071 3HG2 ILE 124 2HG2 ILE 124 19.484 24.585 8.434 1072 1HD1 ILE 124 3HD1 ILE 124 20.218 24.118 10.949 1073 2HD1 ILE 124 1HD1 ILE 124 21.691 24.901 11.547 1074 3HD1 ILE 124 2HD1 ILE 124 20.191 25.056 12.471 1075 H LYS 125 H LYS 125 18.741 27.674 7.481 1076 HA LYS 125 HA LYS 125 21.148 29.105 7.468 1077 1HB LYS 125 1HB LYS 125 19.158 28.287 5.600 1078 2HB LYS 125 2HB LYS 125 19.560 29.975 5.275 1079 1HG LYS 125 1HG LYS 125 21.269 28.990 4.104 1080 2HG LYS 125 2HG LYS 125 22.022 29.044 5.697 1081 1HD LYS 125 1HD LYS 125 20.368 26.693 5.462 1082 2HD LYS 125 2HD LYS 125 21.545 26.751 4.147 1083 1HE LYS 125 1HE LYS 125 22.106 26.906 7.118 1084 2HE LYS 125 2HE LYS 125 22.614 25.641 5.995 1085 1HZ LYS 125 3HZ LYS 125 23.497 28.045 4.943 1086 2HZ LYS 125 1HZ LYS 125 23.883 28.088 6.598 1087 3HZ LYS 125 2HZ LYS 125 24.440 26.811 5.625 1088 H LYS 126 H LYS 126 17.843 30.332 7.817 1089 HA LYS 126 HA LYS 126 18.419 33.070 7.299 1090 1HB LYS 126 1HB LYS 126 16.200 33.152 7.673 1091 2HB LYS 126 2HB LYS 126 16.236 31.563 8.438 1092 1HG LYS 126 1HG LYS 126 16.995 32.631 10.545 1093 2HG LYS 126 2HG LYS 126 16.850 34.210 9.778 1094 1HD LYS 126 1HD LYS 126 14.777 34.030 10.827 1095 2HD LYS 126 2HD LYS 126 14.406 33.382 9.229 1096 1HE LYS 126 1HE LYS 126 15.335 31.154 10.558 1097 2HE LYS 126 2HE LYS 126 14.472 32.016 11.831 1098 1HZ LYS 126 2HZ LYS 126 12.621 32.243 10.134 1099 2HZ LYS 126 3HZ LYS 126 13.436 31.052 9.237 1100 3HZ LYS 126 1HZ LYS 126 12.866 30.703 10.800 1101 H LYS 127 H LYS 127 19.228 31.031 9.913 1102 HA LYS 127 HA LYS 127 20.432 33.320 11.393 1103 1HB LYS 127 1HB LYS 127 19.711 30.624 12.576 1104 2HB LYS 127 2HB LYS 127 20.203 32.075 13.444 1105 1HG LYS 127 1HG LYS 127 17.614 31.632 11.937 1106 2HG LYS 127 2HG LYS 127 17.809 31.862 13.670 1107 1HD LYS 127 1HD LYS 127 18.893 34.020 11.930 1108 2HD LYS 127 2HD LYS 127 17.140 33.878 12.007 1109 1HE LYS 127 1HE LYS 127 17.654 33.660 14.619 1110 2HE LYS 127 2HE LYS 127 19.080 34.590 14.159 1111 1HZ LYS 127 2HZ LYS 127 16.361 35.378 13.309 1112 2HZ LYS 127 3HZ LYS 127 17.005 35.873 14.800 1113 3HZ LYS 127 1HZ LYS 127 17.770 36.326 13.356 1114 H PHE 128 H PHE 128 20.930 30.522 9.540 1115 HA PHE 128 HA PHE 128 23.637 30.083 10.665 1116 1HB PHE 128 1HB PHE 128 21.750 28.471 9.056 1117 2HB PHE 128 2HB PHE 128 23.461 28.284 8.644 1118 HD1 PHE 128 HD2 PHE 128 22.119 29.399 11.827 1119 HD2 PHE 128 HD1 PHE 128 23.898 26.113 9.704 1120 HE1 PHE 128 HE2 PHE 128 22.407 28.178 13.966 1121 HE2 PHE 128 HE1 PHE 128 24.181 24.882 11.858 1122 HZ PHE 128 HZ PHE 128 23.432 25.915 13.985 1123 H GLN 129 H GLN 129 23.088 32.436 9.579 1124 HA GLN 129 HA GLN 129 23.943 32.637 6.795 1125 1HB GLN 129 1HB GLN 129 24.279 34.982 8.580 1126 2HB GLN 129 2HB GLN 129 23.465 34.869 7.018 1127 1HG GLN 129 1HG GLN 129 21.822 33.318 8.525 1128 2HG GLN 129 2HG GLN 129 22.387 34.450 9.750 1129 1HE2 GLN 129 2HE2 GLN 129 19.588 35.676 7.186 1130 2HE2 GLN 129 1HE2 GLN 129 19.998 34.049 7.433 1131 H GLY 130 H GLY 130 25.429 32.976 9.980 1132 1HA GLY 130 1HA GLY 130 28.090 33.343 8.700 1133 2HA GLY 130 2HA GLY 130 27.739 33.577 10.416 1134 H ILE 131 H ILE 131 26.755 30.861 8.377 1135 HA ILE 131 HA ILE 131 27.447 28.875 10.245 1136 HB ILE 131 HB ILE 131 26.401 29.126 7.544 1137 1HG1 ILE 131 1HG1 ILE 131 25.076 28.439 9.498 1138 2HG1 ILE 131 2HG1 ILE 131 25.081 27.215 8.221 1139 1HG2 ILE 131 3HG2 ILE 131 28.165 26.832 8.284 1140 2HG2 ILE 131 1HG2 ILE 131 26.944 26.745 7.021 1141 3HG2 ILE 131 2HG2 ILE 131 28.288 27.885 6.864 1142 1HD1 ILE 131 3HD1 ILE 131 27.313 26.591 9.614 1143 2HD1 ILE 131 1HD1 ILE 131 26.190 27.118 10.888 1144 3HD1 ILE 131 2HD1 ILE 131 25.727 25.808 9.793 1145 H LYS 132 H LYS 132 29.155 30.446 7.696 1146 HA LYS 132 HA LYS 132 31.494 30.425 7.251 1147 1HB LYS 132 1HB LYS 132 31.834 27.985 8.996 1148 2HB LYS 132 2HB LYS 132 33.008 29.245 8.609 1149 1HG LYS 132 1HG LYS 132 30.681 29.393 10.487 1150 2HG LYS 132 2HG LYS 132 32.368 29.773 10.815 1151 1HD LYS 132 1HD LYS 132 32.004 31.573 8.935 1152 2HD LYS 132 2HD LYS 132 30.301 31.364 9.337 1153 1HE LYS 132 1HE LYS 132 30.534 32.291 11.432 1154 2HE LYS 132 2HE LYS 132 32.192 31.718 11.615 1155 1HZ LYS 132 1HZ LYS 132 32.826 33.384 9.903 1156 2HZ LYS 132 2HZ LYS 132 31.248 34.007 9.982 1157 3HZ LYS 132 3HZ LYS 132 32.256 34.062 11.349 1158 H HIS 133 H HIS 133 29.864 27.299 7.791 1159 HA HIS 133 HA HIS 133 30.908 26.605 5.066 1160 1HB HIS 133 1HB HIS 133 31.516 25.410 7.587 1161 2HB HIS 133 2HB HIS 133 30.778 24.203 6.548 1162 HD1 HIS 133 HD1 HIS 133 31.795 25.357 3.820 1163 HD2 HIS 133 HD2 HIS 133 34.149 24.748 7.181 1164 HE1 HIS 133 HE1 HIS 133 34.176 25.248 2.989 1165 H GLU 134 H GLU 134 29.719 23.871 5.471 1166 HA GLU 134 HA GLU 134 27.064 23.678 5.859 1167 1HB GLU 134 1HB GLU 134 26.225 25.271 4.516 1168 2HB GLU 134 2HB GLU 134 27.616 25.266 3.433 1169 1HG GLU 134 1HG GLU 134 26.846 23.406 2.252 1170 2HG GLU 134 2HG GLU 134 25.824 22.874 3.589 1171 H CYS 135 H CYS 135 27.558 21.653 6.052 1172 HA CYS 135 HA CYS 135 28.214 20.087 3.572 1173 1HB CYS 135 1HB CYS 135 30.210 20.495 5.227 1174 2HB CYS 135 2HB CYS 135 29.426 19.247 6.203 1175 HG CYS 135 HG CYS 135 30.616 18.817 3.348 1176 H GLN 136 H GLN 136 27.906 17.648 4.022 1177 HA GLN 136 HA GLN 136 25.836 17.145 6.053 1178 1HB GLN 136 1HB GLN 136 24.644 17.613 3.901 1179 2HB GLN 136 2HB GLN 136 25.543 16.288 3.157 1180 1HG GLN 136 1HG GLN 136 24.576 14.689 4.690 1181 2HG GLN 136 2HG GLN 136 23.803 15.970 5.612 1182 1HE2 GLN 136 2HE2 GLN 136 21.125 16.376 3.314 1183 2HE2 GLN 136 1HE2 GLN 136 21.968 17.124 4.577 1184 H ALA 137 H ALA 137 25.678 14.912 6.625 1185 HA ALA 137 HA ALA 137 27.779 13.135 5.528 1186 1HB ALA 137 1HB ALA 137 28.454 14.527 7.692 1187 2HB ALA 137 2HB ALA 137 27.538 13.250 8.486 1188 3HB ALA 137 3HB ALA 137 28.931 12.842 7.495 1189 H ASN 138 H ASN 138 26.732 11.374 4.972 1190 HA ASN 138 HA ASN 138 24.475 10.477 6.690 1191 1HB ASN 138 1HB ASN 138 25.099 9.965 3.782 1192 2HB ASN 138 2HB ASN 138 23.859 9.068 4.666 1193 1HD2 ASN 138 2HD2 ASN 138 23.186 13.152 4.352 1194 2HD2 ASN 138 1HD2 ASN 138 24.763 12.596 4.642 1195 H GLY 139 H GLY 139 26.790 10.303 7.581 1196 1HA GLY 139 1HA GLY 139 27.276 7.766 8.533 1197 2HA GLY 139 2HA GLY 139 28.345 7.946 7.115 1198 HA PRO 140 HA PRO 140 29.395 10.865 10.740 1199 1HB PRO 140 1HB PRO 140 31.045 9.267 12.310 1200 2HB PRO 140 2HB PRO 140 29.331 9.575 12.640 1201 1HG PRO 140 1HG PRO 140 30.614 7.152 11.430 1202 2HG PRO 140 2HG PRO 140 29.172 7.261 12.456 1203 1HD PRO 140 1HD PRO 140 29.081 6.931 9.690 1204 2HD PRO 140 2HD PRO 140 27.761 7.647 10.640 1205 H GLU 141 H GLU 141 30.724 8.927 8.377 1206 HA GLU 141 HA GLU 141 33.543 9.742 8.606 1207 1HB GLU 141 1HB GLU 141 33.778 7.804 7.480 1208 2HB GLU 141 2HB GLU 141 32.021 7.669 7.300 1209 1HG GLU 141 1HG GLU 141 32.072 9.152 5.371 1210 2HG GLU 141 2HG GLU 141 33.810 9.375 5.560 1211 H ASP 142 H ASP 142 30.600 10.831 6.980 1212 HA ASP 142 HA ASP 142 32.039 12.215 4.870 1213 1HB ASP 142 1HB ASP 142 29.268 12.067 5.868 1214 2HB ASP 142 2HB ASP 142 29.717 13.647 5.218 1215 H LEU 143 H LEU 143 31.520 12.639 8.206 1216 HA LEU 143 HA LEU 143 32.053 15.506 8.356 1217 1HB LEU 143 1HB LEU 143 31.960 13.282 10.389 1218 2HB LEU 143 2HB LEU 143 32.265 14.970 10.799 1219 HG LEU 143 HG LEU 143 29.996 15.060 9.184 1220 1HD1 LEU 143 3HD1 LEU 143 29.947 12.546 9.517 1221 2HD1 LEU 143 1HD1 LEU 143 29.691 12.853 11.236 1222 3HD1 LEU 143 2HD1 LEU 143 28.493 13.394 10.060 1223 1HD2 LEU 143 1HD2 LEU 143 30.628 16.328 11.277 1224 2HD2 LEU 143 2HD2 LEU 143 28.940 15.820 11.220 1225 3HD2 LEU 143 3HD2 LEU 143 30.103 14.932 12.201 1226 H ASN 144 H ASN 144 33.733 12.687 7.860 1227 HA ASN 144 HA ASN 144 36.020 12.412 9.094 1228 1HB ASN 144 1HB ASN 144 35.536 11.262 7.025 1229 2HB ASN 144 2HB ASN 144 35.756 12.759 6.119 1230 1HD2 ASN 144 2HD2 ASN 144 39.076 11.456 8.044 1231 2HD2 ASN 144 1HD2 ASN 144 37.566 11.473 8.837 1232 H ARG 145 H ARG 145 37.778 13.569 9.547 1233 HA ARG 145 HA ARG 145 37.729 16.400 9.207 1234 1HB ARG 145 1HB ARG 145 40.360 15.993 9.729 1235 2HB ARG 145 2HB ARG 145 39.114 16.082 10.964 1236 1HG ARG 145 1HG ARG 145 39.316 13.895 11.490 1237 2HG ARG 145 2HG ARG 145 39.395 13.401 9.786 1238 1HD ARG 145 1HD ARG 145 41.651 13.326 9.817 1239 2HD ARG 145 2HD ARG 145 41.770 14.885 10.634 1240 HE ARG 145 HE ARG 145 41.027 12.501 12.246 1241 1HH1 ARG 145 1HH1 ARG 145 43.866 13.659 11.021 1242 2HH1 ARG 145 2HH1 ARG 145 44.603 14.039 12.542 1243 1HH2 ARG 145 1HH2 ARG 145 41.694 13.572 14.370 1244 2HH2 ARG 145 2HH2 ARG 145 43.373 13.991 14.438 1245 H ALA 146 H ALA 146 38.970 13.833 7.264 1246 HA ALA 146 HA ALA 146 40.766 15.403 5.614 1247 1HB ALA 146 1HB ALA 146 40.354 12.750 5.877 1248 2HB ALA 146 2HB ALA 146 39.303 13.063 4.485 1249 3HB ALA 146 3HB ALA 146 41.031 13.452 4.405 1250 H CYS 147 H CYS 147 37.414 14.571 5.733 1251 HA CYS 147 HA CYS 147 36.728 15.748 3.116 1252 1HB CYS 147 1HB CYS 147 35.627 13.848 4.600 1253 2HB CYS 147 2HB CYS 147 34.753 15.246 5.250 1254 HG CYS 147 HG CYS 147 34.621 14.342 2.252 1255 H ILE 148 H ILE 148 36.707 16.646 6.474 1256 HA ILE 148 HA ILE 148 35.243 19.081 6.046 1257 HB ILE 148 HB ILE 148 37.117 18.137 8.239 1258 1HG1 ILE 148 1HG1 ILE 148 35.493 16.659 8.703 1259 2HG1 ILE 148 2HG1 ILE 148 34.521 18.025 9.225 1260 1HG2 ILE 148 2HG2 ILE 148 35.379 20.468 7.768 1261 2HG2 ILE 148 3HG2 ILE 148 35.539 19.874 9.424 1262 3HG2 ILE 148 1HG2 ILE 148 36.967 20.362 8.505 1263 1HD1 ILE 148 1HD1 ILE 148 33.759 18.186 6.764 1264 2HD1 ILE 148 2HD1 ILE 148 34.490 16.590 6.562 1265 3HD1 ILE 148 3HD1 ILE 148 33.155 16.805 7.694 1266 H ALA 149 H ALA 149 38.255 17.616 5.754 1267 HA ALA 149 HA ALA 149 39.925 20.021 5.450 1268 1HB ALA 149 1HB ALA 149 40.433 17.081 5.015 1269 2HB ALA 149 2HB ALA 149 41.658 18.331 4.865 1270 3HB ALA 149 3HB ALA 149 40.918 18.005 6.428 1271 H GLU 150 H GLU 150 37.580 19.225 3.902 1272 HA GLU 150 HA GLU 150 38.566 19.548 1.148 1273 1HB GLU 150 1HB GLU 150 37.524 17.618 0.634 1274 2HB GLU 150 2HB GLU 150 36.928 17.443 2.286 1275 1HG GLU 150 1HG GLU 150 35.036 18.915 1.788 1276 2HG GLU 150 2HG GLU 150 35.649 19.191 0.157 1277 H LYS 151 H LYS 151 36.130 19.905 3.628 1278 HA LYS 151 HA LYS 151 34.369 21.816 2.499 1279 1HB LYS 151 1HB LYS 151 35.027 20.634 5.076 1280 2HB LYS 151 2HB LYS 151 34.879 22.384 5.259 1281 1HG LYS 151 1HG LYS 151 32.663 22.366 4.361 1282 2HG LYS 151 2HG LYS 151 32.822 20.667 3.888 1283 1HD LYS 151 1HD LYS 151 32.197 19.971 5.931 1284 2HD LYS 151 2HD LYS 151 33.399 21.007 6.702 1285 1HE LYS 151 1HE LYS 151 31.906 22.714 7.047 1286 2HE LYS 151 2HE LYS 151 30.996 22.355 5.581 1287 1HZ LYS 151 3HZ LYS 151 30.709 20.146 7.209 1288 2HZ LYS 151 1HZ LYS 151 30.489 21.475 8.234 1289 3HZ LYS 151 2HZ LYS 151 29.528 21.311 6.851 1290 H LEU 152 H LEU 152 37.376 21.876 4.228 1291 HA LEU 152 HA LEU 152 37.822 24.729 3.524 1292 1HB LEU 152 1HB LEU 152 39.215 23.322 5.789 1293 2HB LEU 152 2HB LEU 152 38.856 25.039 5.604 1294 HG LEU 152 HG LEU 152 36.386 23.537 5.609 1295 1HD1 LEU 152 3HD1 LEU 152 38.162 22.117 7.064 1296 2HD1 LEU 152 1HD1 LEU 152 37.663 23.289 8.283 1297 3HD1 LEU 152 2HD1 LEU 152 36.457 22.253 7.513 1298 1HD2 LEU 152 2HD2 LEU 152 37.635 25.583 7.451 1299 2HD2 LEU 152 3HD2 LEU 152 36.537 25.893 6.107 1300 3HD2 LEU 152 1HD2 LEU 152 35.955 25.060 7.550 1301 H GLY 153 H GLY 153 39.071 21.418 3.624 1302 1HA GLY 153 1HA GLY 153 41.686 22.264 2.531 1303 2HA GLY 153 2HA GLY 153 41.225 20.642 3.004 1304 H GLY 154 H GLY 154 38.767 21.997 1.392 1305 1HA GLY 154 1HA GLY 154 39.576 20.735 -1.200 1306 2HA GLY 154 2HA GLY 154 37.894 20.921 -0.672 1307 H SER 155 H SER 155 40.162 23.389 0.026 1308 HA SER 155 HA SER 155 39.433 25.050 -2.286 1309 1HB SER 155 1HB SER 155 38.987 26.494 0.209 1310 2HB SER 155 2HB SER 155 37.974 26.393 -1.225 1311 HG SER 155 HG SER 155 37.122 25.428 0.770 1312 H LEU 156 H LEU 156 40.579 26.057 0.927 1313 HA LEU 156 HA LEU 156 43.365 26.236 -0.012 1314 1HB LEU 156 1HB LEU 156 42.222 28.803 0.938 1315 2HB LEU 156 2HB LEU 156 43.548 28.512 -0.185 1316 HG LEU 156 HG LEU 156 41.756 27.600 -1.773 1317 1HD1 LEU 156 2HD1 LEU 156 40.106 27.967 0.402 1318 2HD1 LEU 156 3HD1 LEU 156 39.735 29.349 -0.628 1319 3HD1 LEU 156 1HD1 LEU 156 39.581 27.707 -1.265 1320 1HD2 LEU 156 3HD2 LEU 156 42.959 29.822 -1.920 1321 2HD2 LEU 156 1HD2 LEU 156 41.375 29.780 -2.695 1322 3HD2 LEU 156 2HD2 LEU 156 41.563 30.537 -1.113 1323 H ILE 157 H ILE 157 43.141 24.748 2.165 1324 HA ILE 157 HA ILE 157 43.522 26.729 4.336 1325 HB ILE 157 HB ILE 157 43.080 24.841 5.907 1326 1HG1 ILE 157 1HG1 ILE 157 42.078 23.512 3.397 1327 2HG1 ILE 157 2HG1 ILE 157 43.552 23.022 4.262 1328 1HG2 ILE 157 1HG2 ILE 157 41.260 26.318 4.213 1329 2HG2 ILE 157 2HG2 ILE 157 40.562 24.773 4.691 1330 3HG2 ILE 157 3HG2 ILE 157 41.110 25.905 5.921 1331 1HD1 ILE 157 3HD1 ILE 157 41.728 23.283 6.275 1332 2HD1 ILE 157 1HD1 ILE 157 40.748 22.606 4.962 1333 3HD1 ILE 157 2HD1 ILE 157 42.188 21.749 5.512 1334 H VAL 158 H VAL 158 44.748 24.296 5.818 1335 HA VAL 158 HA VAL 158 47.240 23.826 4.423 1336 HB VAL 158 HB VAL 158 47.020 25.881 6.590 1337 1HG1 VAL 158 2HG1 VAL 158 49.372 24.054 6.057 1338 2HG1 VAL 158 3HG1 VAL 158 49.521 25.595 6.903 1339 3HG1 VAL 158 1HG1 VAL 158 48.531 24.305 7.587 1340 1HG2 VAL 158 3HG2 VAL 158 48.441 25.575 3.946 1341 2HG2 VAL 158 1HG2 VAL 158 47.276 26.805 4.431 1342 3HG2 VAL 158 2HG2 VAL 158 48.909 26.827 5.097 1343 H ALA 159 H ALA 159 45.201 23.546 7.191 1344 HA ALA 159 HA ALA 159 46.504 21.003 7.946 1345 1HB ALA 159 3HB ALA 159 45.498 23.195 9.761 1346 2HB ALA 159 1HB ALA 159 45.851 21.560 10.313 1347 3HB ALA 159 2HB ALA 159 47.143 22.569 9.666 1348 H PHE 160 H PHE 160 45.086 19.470 8.693 1349 HA PHE 160 HA PHE 160 42.935 18.457 9.045 1350 1HB PHE 160 1HB PHE 160 42.080 21.134 8.736 1351 2HB PHE 160 2HB PHE 160 41.312 20.248 7.415 1352 HD1 PHE 160 HD1 PHE 160 42.346 19.031 10.749 1353 HD2 PHE 160 HD2 PHE 160 39.088 19.998 8.156 1354 HE1 PHE 160 HE1 PHE 160 40.762 18.063 12.401 1355 HE2 PHE 160 HE2 PHE 160 37.494 19.029 9.801 1356 HZ PHE 160 HZ PHE 160 38.324 18.065 11.916 1357 H GLU 161 H GLU 161 43.763 20.355 6.304 1358 HA GLU 161 HA GLU 161 43.413 18.099 4.419 1359 1HB GLU 161 1HB GLU 161 42.576 20.634 4.096 1360 2HB GLU 161 2HB GLU 161 44.243 20.850 3.578 1361 1HG GLU 161 1HG GLU 161 42.315 18.803 2.462 1362 2HG GLU 161 2HG GLU 161 42.792 20.298 1.668 1363 H GLY 162 H GLY 162 45.633 20.120 6.199 1364 1HA GLY 162 1HA GLY 162 47.898 18.917 4.648 1365 2HA GLY 162 2HA GLY 162 47.956 20.529 5.332 1366 H CYS 163 H CYS 163 48.175 20.720 7.699 1367 HA CYS 163 HA CYS 163 50.088 19.104 8.829 1368 1HB CYS 163 1HB CYS 163 48.135 20.996 9.974 1369 2HB CYS 163 2HB CYS 163 48.987 19.939 11.099 1370 HG CYS 163 HG CYS 163 51.234 20.868 9.758 1371 HA PRO 164 HA PRO 164 47.315 16.298 11.389 1372 1HB PRO 164 1HB PRO 164 44.597 16.787 11.351 1373 2HB PRO 164 2HB PRO 164 45.709 17.414 12.581 1374 1HG PRO 164 1HG PRO 164 44.493 18.817 10.239 1375 2HG PRO 164 2HG PRO 164 44.935 19.469 11.823 1376 1HD PRO 164 1HD PRO 164 46.509 19.861 9.555 1377 2HD PRO 164 2HD PRO 164 47.132 19.861 11.210 1378 H VAL 165 H VAL 165 45.727 17.488 8.423 1379 HA VAL 165 HA VAL 165 45.986 14.767 7.309 1380 HB VAL 165 HB VAL 165 43.305 15.309 6.666 1381 1HG1 VAL 165 1HG1 VAL 165 44.878 13.339 8.215 1382 2HG1 VAL 165 2HG1 VAL 165 43.154 13.388 8.591 1383 3HG1 VAL 165 3HG1 VAL 165 43.690 13.082 6.938 1384 1HG2 VAL 165 3HG2 VAL 165 43.645 16.849 8.819 1385 2HG2 VAL 165 1HG2 VAL 165 42.174 15.903 8.607 1386 3HG2 VAL 165 2HG2 VAL 165 43.462 15.314 9.659 No H/Q in entry = 1386 Start of MODEL 7 1 1H THR -8 1H THR -8 -4.169 12.240 0.622 2 2H THR -8 2H THR -8 -3.908 12.944 -0.902 3 3H THR -8 3H THR -8 -4.721 11.460 -0.783 4 HA THR -8 HA THR -8 -2.518 11.001 -1.508 5 HB THR -8 HB THR -8 -0.832 11.753 0.551 6 HG1 THR -8 HG1 THR -8 -1.347 13.980 0.826 7 1HG2 THR -8 2HG2 THR -8 -1.482 12.768 -2.178 8 2HG2 THR -8 3HG2 THR -8 -0.418 13.755 -1.176 9 3HG2 THR -8 1HG2 THR -8 0.025 12.092 -1.560 10 H MET -7 H MET -7 -2.395 11.241 2.049 11 HA MET -7 HA MET -7 -2.837 8.286 2.161 12 1HB MET -7 1HB MET -7 -0.451 9.725 2.817 13 2HB MET -7 2HB MET -7 -1.128 9.064 4.305 14 1HG MET -7 1HG MET -7 -1.132 7.243 1.962 15 2HG MET -7 2HG MET -7 0.451 7.627 2.638 16 1HE MET -7 1HE MET -7 0.777 5.392 2.861 17 2HE MET -7 2HE MET -7 1.348 5.692 4.508 18 3HE MET -7 3HE MET -7 0.262 4.342 4.179 19 H ILE -6 H ILE -6 -3.565 11.405 3.423 20 HA ILE -6 HA ILE -6 -5.193 12.034 4.994 21 HB ILE -6 HB ILE -6 -5.686 9.091 5.472 22 1HG1 ILE -6 1HG1 ILE -6 -6.988 10.832 3.359 23 2HG1 ILE -6 2HG1 ILE -6 -5.692 9.687 3.011 24 1HG2 ILE -6 3HG2 ILE -6 -6.824 11.529 6.433 25 2HG2 ILE -6 1HG2 ILE -6 -8.017 10.746 5.396 26 3HG2 ILE -6 2HG2 ILE -6 -7.340 9.878 6.775 27 1HD1 ILE -6 3HD1 ILE -6 -8.297 8.923 4.359 28 2HD1 ILE -6 1HD1 ILE -6 -7.999 8.754 2.629 29 3HD1 ILE -6 2HD1 ILE -6 -7.039 7.830 3.784 30 H THR -5 H THR -5 -5.269 12.322 7.267 31 HA THR -5 HA THR -5 -4.117 12.579 9.311 32 HB THR -5 HB THR -5 -3.586 9.906 9.963 33 HG1 THR -5 HG1 THR -5 -4.887 8.742 8.822 34 1HG2 THR -5 2HG2 THR -5 -5.057 12.012 10.923 35 2HG2 THR -5 3HG2 THR -5 -6.322 10.870 10.474 36 3HG2 THR -5 1HG2 THR -5 -5.066 10.391 11.615 37 HA PRO -4 HA PRO -4 0.053 11.613 7.482 38 1HB PRO -4 1HB PRO -4 0.734 14.211 6.893 39 2HB PRO -4 2HB PRO -4 -0.070 13.130 5.743 40 1HG PRO -4 1HG PRO -4 -1.216 15.411 7.288 41 2HG PRO -4 2HG PRO -4 -1.735 14.734 5.735 42 1HD PRO -4 1HD PRO -4 -2.965 14.261 8.237 43 2HD PRO -4 2HD PRO -4 -3.247 13.341 6.744 44 H SER -3 H SER -3 -0.571 14.764 9.052 45 HA SER -3 HA SER -3 0.160 14.355 11.651 46 1HB SER -3 1HB SER -3 2.227 13.286 11.186 47 2HB SER -3 2HB SER -3 2.619 14.419 9.896 48 HG SER -3 HG SER -3 3.395 15.748 11.332 49 H SER -2 H SER -2 0.939 16.330 8.822 50 HA SER -2 HA SER -2 0.877 18.656 8.524 51 1HB SER -2 1HB SER -2 -1.439 18.252 9.481 52 2HB SER -2 2HB SER -2 -0.780 18.669 11.061 53 HG SER -2 HG SER -2 -0.023 20.494 9.253 54 H GLY -1 H GLY -1 2.979 19.331 8.923 55 1HA GLY -1 1HA GLY -1 3.657 21.010 11.001 56 2HA GLY -1 2HA GLY -1 4.061 19.414 11.631 57 H ASN 0 H ASN 0 5.706 18.173 10.525 58 HA ASN 0 HA ASN 0 7.586 19.915 8.998 59 1HB ASN 0 1HB ASN 0 9.350 18.572 9.801 60 2HB ASN 0 2HB ASN 0 8.252 18.649 11.179 61 1HD2 ASN 0 2HD2 ASN 0 7.607 15.182 11.162 62 2HD2 ASN 0 1HD2 ASN 0 7.385 16.674 11.939 63 H SER 1 H SER 1 5.159 18.007 8.193 64 HA SER 1 HA SER 1 6.238 15.955 6.540 65 1HB SER 1 1HB SER 1 3.764 16.438 7.193 66 2HB SER 1 2HB SER 1 3.763 17.501 5.788 67 HG SER 1 HG SER 1 4.239 15.768 4.494 68 H ALA 2 H ALA 2 7.171 16.020 4.519 69 HA ALA 2 HA ALA 2 8.129 16.957 2.587 70 1HB ALA 2 3HB ALA 2 5.597 18.513 2.975 71 2HB ALA 2 1HB ALA 2 6.764 19.093 1.787 72 3HB ALA 2 2HB ALA 2 6.076 17.478 1.630 73 H SER 3 H SER 3 8.815 17.872 5.367 74 HA SER 3 HA SER 3 10.497 19.329 6.165 75 1HB SER 3 1HB SER 3 11.761 20.513 4.665 76 2HB SER 3 2HB SER 3 10.929 19.476 3.509 77 HG SER 3 HG SER 3 10.336 22.136 4.270 78 H GLY 4 H GLY 4 9.641 20.523 7.771 79 1HA GLY 4 1HA GLY 4 8.092 22.944 7.044 80 2HA GLY 4 2HA GLY 4 7.340 21.793 8.149 81 H VAL 5 H VAL 5 10.738 21.950 8.397 82 HA VAL 5 HA VAL 5 10.804 22.634 11.112 83 HB VAL 5 HB VAL 5 12.954 23.635 9.326 84 1HG1 VAL 5 3HG1 VAL 5 12.610 23.317 12.018 85 2HG1 VAL 5 1HG1 VAL 5 13.722 22.031 11.565 86 3HG1 VAL 5 2HG1 VAL 5 14.109 23.715 11.195 87 1HG2 VAL 5 2HG2 VAL 5 11.988 20.845 9.604 88 2HG2 VAL 5 3HG2 VAL 5 12.881 21.582 8.275 89 3HG2 VAL 5 1HG2 VAL 5 13.732 21.070 9.734 90 H GLN 6 H GLN 6 11.212 24.437 12.194 91 HA GLN 6 HA GLN 6 10.773 27.029 10.864 92 1HB GLN 6 1HB GLN 6 9.765 26.600 13.627 93 2HB GLN 6 2HB GLN 6 9.077 27.587 12.325 94 1HG GLN 6 1HG GLN 6 7.775 25.863 11.643 95 2HG GLN 6 2HG GLN 6 9.185 24.799 11.589 96 1HE2 GLN 6 2HE2 GLN 6 8.869 23.687 14.926 97 2HE2 GLN 6 1HE2 GLN 6 10.029 24.234 13.822 98 H VAL 7 H VAL 7 12.980 25.274 12.283 99 HA VAL 7 HA VAL 7 14.973 25.797 13.495 100 HB VAL 7 HB VAL 7 14.042 28.609 12.944 101 1HG1 VAL 7 3HG1 VAL 7 16.466 27.403 14.073 102 2HG1 VAL 7 1HG1 VAL 7 16.784 28.533 12.754 103 3HG1 VAL 7 2HG1 VAL 7 15.891 29.068 14.176 104 1HG2 VAL 7 2HG2 VAL 7 14.282 26.815 11.012 105 2HG2 VAL 7 3HG2 VAL 7 14.889 28.459 10.789 106 3HG2 VAL 7 1HG2 VAL 7 16.001 27.157 11.218 107 H ALA 8 H ALA 8 15.617 26.401 15.459 108 HA ALA 8 HA ALA 8 13.505 26.524 17.482 109 1HB ALA 8 2HB ALA 8 16.000 25.353 17.087 110 2HB ALA 8 3HB ALA 8 16.255 26.517 18.396 111 3HB ALA 8 1HB ALA 8 15.024 25.256 18.566 112 H ASP 9 H ASP 9 15.710 28.735 16.025 113 HA ASP 9 HA ASP 9 15.913 31.073 16.448 114 1HB ASP 9 1HB ASP 9 14.738 30.606 19.186 115 2HB ASP 9 2HB ASP 9 14.909 32.123 18.319 116 H GLU 10 H GLU 10 16.507 28.631 18.938 117 HA GLU 10 HA GLU 10 18.736 29.977 20.153 118 1HB GLU 10 1HB GLU 10 18.682 28.148 21.520 119 2HB GLU 10 2HB GLU 10 17.295 27.588 20.595 120 1HG GLU 10 1HG GLU 10 20.083 27.026 19.588 121 2HG GLU 10 2HG GLU 10 19.375 26.015 20.850 122 H VAL 11 H VAL 11 18.057 28.254 17.242 123 HA VAL 11 HA VAL 11 20.752 27.525 16.635 124 HB VAL 11 HB VAL 11 18.374 26.833 15.514 125 1HG1 VAL 11 2HG1 VAL 11 19.690 28.828 13.652 126 2HG1 VAL 11 3HG1 VAL 11 18.367 27.747 13.223 127 3HG1 VAL 11 1HG1 VAL 11 18.112 29.013 14.422 128 1HG2 VAL 11 3HG2 VAL 11 20.526 25.623 15.335 129 2HG2 VAL 11 1HG2 VAL 11 19.699 25.746 13.783 130 3HG2 VAL 11 2HG2 VAL 11 21.064 26.800 14.126 131 H CYS 12 H CYS 12 18.901 30.399 16.436 132 HA CYS 12 HA CYS 12 20.711 31.703 14.532 133 1HB CYS 12 1HB CYS 12 18.221 32.290 15.105 134 2HB CYS 12 2HB CYS 12 18.922 33.152 16.474 135 HG CYS 12 HG CYS 12 19.935 34.855 14.925 136 H ARG 13 H ARG 13 21.498 30.504 17.361 137 HA ARG 13 HA ARG 13 23.268 32.831 17.972 138 1HB ARG 13 1HB ARG 13 22.874 32.757 20.233 139 2HB ARG 13 2HB ARG 13 21.279 32.250 19.669 140 1HG ARG 13 1HG ARG 13 21.703 30.532 21.153 141 2HG ARG 13 2HG ARG 13 22.468 29.848 19.715 142 1HD ARG 13 1HD ARG 13 24.411 29.790 20.847 143 2HD ARG 13 2HD ARG 13 24.388 31.554 20.856 144 HE ARG 13 HE ARG 13 23.736 29.815 23.119 145 1HH1 ARG 13 1HH2 ARG 13 24.671 32.868 22.258 146 2HH1 ARG 13 2HH2 ARG 13 23.722 33.711 23.438 147 1HH2 ARG 13 1HH1 ARG 13 21.900 30.909 24.361 148 2HH2 ARG 13 2HH1 ARG 13 22.157 32.602 24.629 149 H ILE 14 H ILE 14 23.004 29.693 17.005 150 HA ILE 14 HA ILE 14 25.316 28.555 18.355 151 HB ILE 14 HB ILE 14 24.008 27.751 15.759 152 1HG1 ILE 14 1HG1 ILE 14 23.195 26.661 18.426 153 2HG1 ILE 14 2HG1 ILE 14 22.354 28.013 17.638 154 1HG2 ILE 14 2HG2 ILE 14 25.461 26.170 17.870 155 2HG2 ILE 14 3HG2 ILE 14 24.646 25.465 16.458 156 3HG2 ILE 14 1HG2 ILE 14 26.045 26.542 16.250 157 1HD1 ILE 14 2HD1 ILE 14 22.946 25.360 16.302 158 2HD1 ILE 14 3HD1 ILE 14 21.379 25.805 16.984 159 3HD1 ILE 14 1HD1 ILE 14 22.057 26.706 15.629 160 H PHE 15 H PHE 15 24.440 29.503 15.104 161 HA PHE 15 HA PHE 15 26.947 29.411 13.862 162 1HB PHE 15 1HB PHE 15 25.465 30.104 12.254 163 2HB PHE 15 2HB PHE 15 24.338 30.740 13.473 164 HD1 PHE 15 HD2 PHE 15 27.681 31.487 11.955 165 HD2 PHE 15 HD1 PHE 15 24.053 32.995 13.639 166 HE1 PHE 15 HE2 PHE 15 28.425 33.810 11.469 167 HE2 PHE 15 HE1 PHE 15 24.789 35.303 13.188 168 HZ PHE 15 HZ PHE 15 26.974 35.726 12.086 169 H TYR 16 H TYR 16 25.347 31.857 15.802 170 HA TYR 16 HA TYR 16 27.385 33.867 15.943 171 1HB TYR 16 1HB TYR 16 25.127 33.010 17.752 172 2HB TYR 16 2HB TYR 16 26.147 34.412 18.107 173 HD1 TYR 16 HD1 TYR 16 23.732 32.972 15.768 174 HD2 TYR 16 HD2 TYR 16 25.931 36.477 16.854 175 HE1 TYR 16 HE1 TYR 16 22.295 34.317 14.293 176 HE2 TYR 16 HE2 TYR 16 24.497 37.846 15.361 177 HH TYR 16 HH TYR 16 21.592 36.865 14.219 178 H ASP 17 H ASP 17 26.791 30.891 17.793 179 HA ASP 17 HA ASP 17 28.478 31.691 20.014 180 1HB ASP 17 1HB ASP 17 26.812 29.465 19.364 181 2HB ASP 17 2HB ASP 17 28.414 28.834 19.751 182 H MET 18 H MET 18 29.051 28.875 18.061 183 HA MET 18 HA MET 18 31.831 28.873 18.238 184 1HB MET 18 1HB MET 18 31.578 27.699 15.941 185 2HB MET 18 2HB MET 18 30.984 26.941 17.391 186 1HG MET 18 1HG MET 18 29.037 28.748 16.104 187 2HG MET 18 2HG MET 18 29.478 27.345 15.131 188 1HE MET 18 3HE MET 18 30.067 25.323 16.155 189 2HE MET 18 1HE MET 18 30.200 25.370 17.926 190 3HE MET 18 2HE MET 18 28.945 24.382 17.159 191 H LYS 19 H LYS 19 33.381 29.449 16.386 192 HA LYS 19 HA LYS 19 32.832 31.090 14.221 193 1HB LYS 19 1HB LYS 19 32.221 32.509 16.588 194 2HB LYS 19 2HB LYS 19 33.740 33.176 16.005 195 1HG LYS 19 1HG LYS 19 31.881 34.382 14.987 196 2HG LYS 19 2HG LYS 19 32.738 33.459 13.753 197 1HD LYS 19 1HD LYS 19 31.048 31.615 14.075 198 2HD LYS 19 2HD LYS 19 30.140 32.714 15.116 199 1HE LYS 19 1HE LYS 19 29.462 32.625 12.627 200 2HE LYS 19 2HE LYS 19 29.695 34.217 13.348 201 1HZ LYS 19 2HZ LYS 19 31.888 32.792 11.970 202 2HZ LYS 19 3HZ LYS 19 30.797 33.784 11.125 203 3HZ LYS 19 1HZ LYS 19 31.773 34.445 12.344 204 H VAL 20 H VAL 20 35.069 32.253 16.722 205 HA VAL 20 HA VAL 20 37.327 30.820 15.514 206 HB VAL 20 HB VAL 20 37.248 33.847 15.539 207 1HG1 VAL 20 1HG1 VAL 20 39.477 32.752 15.734 208 2HG1 VAL 20 2HG1 VAL 20 39.154 31.884 14.233 209 3HG1 VAL 20 3HG1 VAL 20 39.295 33.642 14.222 210 1HG2 VAL 20 1HG2 VAL 20 36.862 31.909 13.242 211 2HG2 VAL 20 2HG2 VAL 20 35.641 32.991 13.911 212 3HG2 VAL 20 3HG2 VAL 20 37.046 33.655 13.076 213 H ARG 21 H ARG 21 38.378 33.648 16.933 214 HA ARG 21 HA ARG 21 39.040 32.251 19.429 215 1HB ARG 21 1HB ARG 21 40.815 33.655 19.530 216 2HB ARG 21 2HB ARG 21 40.410 34.045 17.860 217 1HG ARG 21 1HG ARG 21 39.344 35.509 20.284 218 2HG ARG 21 2HG ARG 21 40.661 36.074 19.263 219 1HD ARG 21 1HD ARG 21 38.748 35.542 17.389 220 2HD ARG 21 2HD ARG 21 37.756 36.079 18.744 221 HE ARG 21 HE ARG 21 39.565 38.053 18.721 222 1HH1 ARG 21 1HH2 ARG 21 40.727 37.752 16.153 223 2HH1 ARG 21 2HH2 ARG 21 39.618 38.513 15.061 224 1HH2 ARG 21 1HH1 ARG 21 36.960 38.439 17.280 225 2HH2 ARG 21 2HH1 ARG 21 37.490 38.899 15.697 226 H LYS 22 H LYS 22 36.426 33.923 18.350 227 HA LYS 22 HA LYS 22 35.783 35.870 20.261 228 1HB LYS 22 1HB LYS 22 34.253 34.030 18.515 229 2HB LYS 22 2HB LYS 22 33.361 34.672 19.893 230 1HG LYS 22 1HG LYS 22 33.281 36.755 19.008 231 2HG LYS 22 2HG LYS 22 34.973 36.702 18.513 232 1HD LYS 22 1HD LYS 22 34.200 35.110 16.643 233 2HD LYS 22 2HD LYS 22 32.561 35.632 17.039 234 1HE LYS 22 1HE LYS 22 33.377 38.023 16.760 235 2HE LYS 22 2HE LYS 22 34.863 37.352 16.089 236 1HZ LYS 22 3HZ LYS 22 33.528 36.202 14.417 237 2HZ LYS 22 1HZ LYS 22 32.116 36.909 15.047 238 3HZ LYS 22 2HZ LYS 22 33.310 37.885 14.338 239 H CYS 23 H CYS 23 36.692 35.141 22.312 240 HA CYS 23 HA CYS 23 34.784 33.586 23.914 241 1HB CYS 23 1HB CYS 23 37.593 32.666 24.192 242 2HB CYS 23 2HB CYS 23 36.084 31.816 24.540 243 HG CYS 23 HG CYS 23 35.786 31.629 21.857 244 H SER 24 H SER 24 34.492 35.058 25.534 245 HA SER 24 HA SER 24 35.907 37.146 26.545 246 1HB SER 24 1HB SER 24 34.107 35.196 27.597 247 2HB SER 24 2HB SER 24 35.422 35.360 28.771 248 HG SER 24 HG SER 24 33.390 37.062 28.205 249 H THR 25 H THR 25 36.285 34.014 27.690 250 HA THR 25 HA THR 25 39.185 33.910 27.446 251 HB THR 25 HB THR 25 38.339 34.668 29.873 252 HG1 THR 25 HG1 THR 25 40.019 32.451 29.953 253 1HG2 THR 25 1HG2 THR 25 36.661 32.884 29.965 254 2HG2 THR 25 2HG2 THR 25 37.958 31.682 29.834 255 3HG2 THR 25 3HG2 THR 25 37.851 32.714 31.268 256 HA PRO 26 HA PRO 26 37.021 30.515 25.644 257 1HB PRO 26 1HB PRO 26 39.274 29.217 24.672 258 2HB PRO 26 2HB PRO 26 38.491 30.603 23.893 259 1HG PRO 26 1HG PRO 26 40.997 30.531 25.529 260 2HG PRO 26 2HG PRO 26 40.560 31.608 24.189 261 1HD PRO 26 1HD PRO 26 40.428 32.317 26.905 262 2HD PRO 26 2HD PRO 26 39.540 33.130 25.599 263 H GLU 27 H GLU 27 39.172 30.362 28.266 264 HA GLU 27 HA GLU 27 39.405 27.502 28.647 265 1HB GLU 27 1HB GLU 27 39.669 29.883 30.483 266 2HB GLU 27 2HB GLU 27 39.971 28.229 31.018 267 1HG GLU 27 1HG GLU 27 41.688 27.970 29.262 268 2HG GLU 27 2HG GLU 27 41.387 29.625 28.728 269 H GLU 28 H GLU 28 36.769 29.526 28.809 270 HA GLU 28 HA GLU 28 35.286 27.594 30.513 271 1HB GLU 28 1HB GLU 28 34.101 29.354 31.651 272 2HB GLU 28 2HB GLU 28 35.805 29.798 31.745 273 1HG GLU 28 1HG GLU 28 35.493 31.206 29.694 274 2HG GLU 28 2HG GLU 28 33.766 30.859 29.772 275 H ILE 29 H ILE 29 35.420 30.048 28.131 276 HA ILE 29 HA ILE 29 33.032 30.071 26.862 277 HB ILE 29 HB ILE 29 35.727 30.634 26.436 278 1HG1 ILE 29 1HG1 ILE 29 34.255 32.145 24.725 279 2HG1 ILE 29 2HG1 ILE 29 33.038 31.655 25.894 280 1HG2 ILE 29 2HG2 ILE 29 34.096 29.386 24.279 281 2HG2 ILE 29 3HG2 ILE 29 35.544 30.315 23.945 282 3HG2 ILE 29 1HG2 ILE 29 35.654 28.845 24.911 283 1HD1 ILE 29 1HD1 ILE 29 34.840 32.201 27.644 284 2HD1 ILE 29 2HD1 ILE 29 35.552 33.161 26.350 285 3HD1 ILE 29 3HD1 ILE 29 33.921 33.522 26.914 286 H LYS 30 H LYS 30 35.595 27.731 26.804 287 HA LYS 30 HA LYS 30 34.706 26.116 24.652 288 1HB LYS 30 1HB LYS 30 35.816 24.238 26.007 289 2HB LYS 30 2HB LYS 30 36.856 25.609 25.622 290 1HG LYS 30 1HG LYS 30 36.521 26.527 27.859 291 2HG LYS 30 2HG LYS 30 35.346 25.272 28.229 292 1HD LYS 30 1HD LYS 30 37.474 23.752 27.476 293 2HD LYS 30 2HD LYS 30 38.288 25.125 28.223 294 1HE LYS 30 1HE LYS 30 36.560 24.811 30.141 295 2HE LYS 30 2HE LYS 30 36.300 23.215 29.439 296 1HZ LYS 30 1HZ LYS 30 39.071 23.989 29.805 297 2HZ LYS 30 2HZ LYS 30 38.189 23.747 31.237 298 3HZ LYS 30 3HZ LYS 30 38.307 22.499 30.096 299 H LYS 31 H LYS 31 33.955 26.284 27.988 300 HA LYS 31 HA LYS 31 31.974 24.106 27.899 301 1HB LYS 31 1HB LYS 31 32.765 26.059 30.078 302 2HB LYS 31 2HB LYS 31 31.501 24.844 30.280 303 1HG LYS 31 1HG LYS 31 33.382 23.212 29.370 304 2HG LYS 31 2HG LYS 31 34.457 24.470 29.986 305 1HD LYS 31 1HD LYS 31 32.276 23.102 31.587 306 2HD LYS 31 2HD LYS 31 34.000 22.746 31.705 307 1HE LYS 31 1HE LYS 31 34.325 24.494 33.083 308 2HE LYS 31 2HE LYS 31 33.556 25.591 31.935 309 1HZ LYS 31 3HZ LYS 31 31.457 24.237 32.922 310 2HZ LYS 31 1HZ LYS 31 32.467 24.325 34.285 311 3HZ LYS 31 2HZ LYS 31 31.982 25.746 33.489 312 H ARG 32 H ARG 32 32.031 27.402 27.194 313 HA ARG 32 HA ARG 32 29.356 28.101 27.881 314 1HB ARG 32 1HB ARG 32 31.437 29.205 26.052 315 2HB ARG 32 2HB ARG 32 29.769 29.663 25.720 316 1HG ARG 32 1HG ARG 32 30.570 31.333 27.212 317 2HG ARG 32 2HG ARG 32 29.608 30.255 28.223 318 1HD ARG 32 1HD ARG 32 32.200 29.152 28.196 319 2HD ARG 32 2HD ARG 32 32.451 30.876 28.398 320 HE ARG 32 HE ARG 32 31.843 30.410 30.635 321 1HH1 ARG 32 1HH2 ARG 32 29.048 30.894 30.272 322 2HH1 ARG 32 2HH2 ARG 32 28.285 29.385 30.650 323 1HH2 ARG 32 1HH1 ARG 32 31.202 27.533 30.344 324 2HH2 ARG 32 2HH1 ARG 32 29.507 27.482 30.693 325 H LYS 33 H LYS 33 30.561 25.815 25.785 326 HA LYS 33 HA LYS 33 29.530 24.379 24.273 327 1HB LYS 33 1HB LYS 33 27.717 23.999 25.677 328 2HB LYS 33 2HB LYS 33 27.194 25.682 25.634 329 1HG LYS 33 1HG LYS 33 27.188 24.288 23.024 330 2HG LYS 33 2HG LYS 33 26.006 23.704 24.196 331 1HD LYS 33 1HD LYS 33 24.753 25.583 24.030 332 2HD LYS 33 2HD LYS 33 26.170 26.631 24.088 333 1HE LYS 33 1HE LYS 33 26.474 25.493 21.625 334 2HE LYS 33 2HE LYS 33 24.716 25.560 21.750 335 1HZ LYS 33 1HZ LYS 33 25.436 27.965 22.692 336 2HZ LYS 33 2HZ LYS 33 26.633 27.706 21.515 337 3HZ LYS 33 3HZ LYS 33 24.989 27.663 21.085 338 H LYS 34 H LYS 34 29.912 24.713 22.211 339 HA LYS 34 HA LYS 34 28.361 26.774 20.745 340 1HB LYS 34 1HB LYS 34 31.222 26.172 20.004 341 2HB LYS 34 2HB LYS 34 30.243 27.573 19.571 342 1HG LYS 34 1HG LYS 34 30.776 28.683 21.476 343 2HG LYS 34 2HG LYS 34 30.646 27.233 22.471 344 1HD LYS 34 1HD LYS 34 32.838 26.510 21.887 345 2HD LYS 34 2HD LYS 34 32.950 27.679 20.570 346 1HE LYS 34 1HE LYS 34 32.512 28.634 23.382 347 2HE LYS 34 2HE LYS 34 34.134 28.197 22.848 348 1HZ LYS 34 1HZ LYS 34 32.511 29.966 21.158 349 2HZ LYS 34 2HZ LYS 34 33.249 30.610 22.543 350 3HZ LYS 34 3HZ LYS 34 34.199 29.888 21.335 351 H ALA 35 H ALA 35 30.635 24.034 20.484 352 HA ALA 35 HA ALA 35 29.737 23.084 17.996 353 1HB ALA 35 2HB ALA 35 31.779 22.275 19.176 354 2HB ALA 35 3HB ALA 35 30.727 21.461 20.321 355 3HB ALA 35 1HB ALA 35 30.719 20.977 18.629 356 H VAL 36 H VAL 36 27.925 22.289 17.542 357 HA VAL 36 HA VAL 36 26.176 21.060 19.619 358 HB VAL 36 HB VAL 36 24.394 22.608 18.771 359 1HG1 VAL 36 1HG1 VAL 36 26.788 23.680 20.267 360 2HG1 VAL 36 2HG1 VAL 36 25.266 24.556 20.131 361 3HG1 VAL 36 3HG1 VAL 36 25.320 23.005 20.965 362 1HG2 VAL 36 2HG2 VAL 36 26.415 23.204 16.962 363 2HG2 VAL 36 3HG2 VAL 36 24.854 24.005 17.131 364 3HG2 VAL 36 1HG2 VAL 36 26.267 24.630 17.986 365 H ILE 37 H ILE 37 24.528 19.784 18.900 366 HA ILE 37 HA ILE 37 24.132 19.486 15.986 367 HB ILE 37 HB ILE 37 23.992 17.480 18.222 368 1HG1 ILE 37 1HG1 ILE 37 24.983 16.509 15.679 369 2HG1 ILE 37 2HG1 ILE 37 25.895 17.928 16.190 370 1HG2 ILE 37 3HG2 ILE 37 22.579 17.605 15.571 371 2HG2 ILE 37 1HG2 ILE 37 22.854 16.071 16.416 372 3HG2 ILE 37 2HG2 ILE 37 21.898 17.337 17.192 373 1HD1 ILE 37 2HD1 ILE 37 26.191 16.846 18.454 374 2HD1 ILE 37 3HD1 ILE 37 25.462 15.377 17.800 375 3HD1 ILE 37 1HD1 ILE 37 26.986 15.975 17.146 376 H PHE 38 H PHE 38 21.761 19.211 15.525 377 HA PHE 38 HA PHE 38 20.121 19.657 17.901 378 1HB PHE 38 1HB PHE 38 20.302 21.615 15.583 379 2HB PHE 38 2HB PHE 38 18.957 21.614 16.714 380 HD1 PHE 38 HD1 PHE 38 20.038 21.078 19.272 381 HD2 PHE 38 HD2 PHE 38 21.797 23.461 16.135 382 HE1 PHE 38 HE1 PHE 38 21.368 22.315 20.942 383 HE2 PHE 38 HE2 PHE 38 23.098 24.664 17.825 384 HZ PHE 38 HZ PHE 38 22.902 24.113 20.220 385 H CYS 39 H CYS 39 18.066 18.548 17.733 386 HA CYS 39 HA CYS 39 17.522 17.478 15.002 387 1HB CYS 39 1HB CYS 39 16.522 15.747 17.086 388 2HB CYS 39 2HB CYS 39 17.608 15.391 15.749 389 HG CYS 39 HG CYS 39 19.474 16.657 17.398 390 H LEU 40 H LEU 40 16.047 19.604 15.227 391 HA LEU 40 HA LEU 40 13.939 20.266 14.845 392 1HB LEU 40 1HB LEU 40 13.740 17.417 14.803 393 2HB LEU 40 2HB LEU 40 12.205 18.236 15.130 394 HG LEU 40 HG LEU 40 12.651 19.787 13.314 395 1HD1 LEU 40 3HD1 LEU 40 15.086 19.747 13.538 396 2HD1 LEU 40 1HD1 LEU 40 15.103 18.120 12.840 397 3HD1 LEU 40 2HD1 LEU 40 14.579 19.490 11.857 398 1HD2 LEU 40 1HD2 LEU 40 11.456 17.635 12.831 399 2HD2 LEU 40 2HD2 LEU 40 12.294 18.305 11.431 400 3HD2 LEU 40 3HD2 LEU 40 13.003 16.954 12.323 401 H SER 41 H SER 41 12.413 18.101 17.087 402 HA SER 41 HA SER 41 12.173 19.797 19.314 403 1HB SER 41 1HB SER 41 11.045 21.008 17.026 404 2HB SER 41 2HB SER 41 9.697 20.460 18.010 405 HG SER 41 HG SER 41 10.523 21.598 19.739 406 H ALA 42 H ALA 42 9.303 19.716 19.632 407 HA ALA 42 HA ALA 42 8.919 16.835 20.114 408 1HB ALA 42 3HB ALA 42 7.676 19.358 21.005 409 2HB ALA 42 1HB ALA 42 6.512 18.071 20.692 410 3HB ALA 42 2HB ALA 42 7.815 17.820 21.855 411 H ASP 43 H ASP 43 7.974 15.555 18.583 412 HA ASP 43 HA ASP 43 6.440 14.932 16.883 413 1HB ASP 43 1HB ASP 43 5.222 17.194 17.746 414 2HB ASP 43 2HB ASP 43 5.736 17.722 16.143 415 H LYS 44 H LYS 44 9.020 17.115 16.755 416 HA LYS 44 HA LYS 44 10.709 17.305 15.176 417 1HB LYS 44 1HB LYS 44 9.197 15.054 14.213 418 2HB LYS 44 2HB LYS 44 9.727 16.040 12.851 419 1HG LYS 44 1HG LYS 44 11.407 14.310 13.492 420 2HG LYS 44 2HG LYS 44 12.038 15.946 13.648 421 1HD LYS 44 1HD LYS 44 12.699 14.997 15.673 422 2HD LYS 44 2HD LYS 44 11.170 15.753 16.120 423 1HE LYS 44 1HE LYS 44 10.432 13.237 15.154 424 2HE LYS 44 2HE LYS 44 11.893 12.930 16.094 425 1HZ LYS 44 1HZ LYS 44 10.691 14.536 17.764 426 2HZ LYS 44 2HZ LYS 44 9.301 13.970 16.968 427 3HZ LYS 44 3HZ LYS 44 10.347 12.875 17.740 428 H LYS 45 H LYS 45 10.935 19.247 14.403 429 HA LYS 45 HA LYS 45 9.514 20.257 12.111 430 1HB LYS 45 1HB LYS 45 8.718 20.937 14.899 431 2HB LYS 45 2HB LYS 45 8.671 22.223 13.680 432 1HG LYS 45 1HG LYS 45 7.509 20.156 12.329 433 2HG LYS 45 2HG LYS 45 6.973 19.835 13.975 434 1HD LYS 45 1HD LYS 45 6.758 22.599 12.786 435 2HD LYS 45 2HD LYS 45 5.499 21.394 12.517 436 1HE LYS 45 1HE LYS 45 5.345 21.098 15.010 437 2HE LYS 45 2HE LYS 45 6.463 22.449 15.188 438 1HZ LYS 45 1HZ LYS 45 4.619 23.434 13.489 439 2HZ LYS 45 2HZ LYS 45 3.667 22.455 14.495 440 3HZ LYS 45 3HZ LYS 45 4.623 23.687 15.170 441 H CYS 46 H CYS 46 10.348 22.420 14.706 442 HA CYS 46 HA CYS 46 12.141 24.187 13.501 443 1HB CYS 46 1HB CYS 46 11.974 23.010 16.318 444 2HB CYS 46 2HB CYS 46 13.216 24.209 15.916 445 HG CYS 46 HG CYS 46 10.307 24.837 16.460 446 H ILE 47 H ILE 47 14.449 24.303 14.690 447 HA ILE 47 HA ILE 47 15.960 21.820 13.999 448 HB ILE 47 HB ILE 47 16.588 24.598 13.559 449 1HG1 ILE 47 1HG1 ILE 47 18.825 23.558 12.874 450 2HG1 ILE 47 2HG1 ILE 47 18.156 22.015 13.401 451 1HG2 ILE 47 2HG2 ILE 47 18.274 23.254 15.702 452 2HG2 ILE 47 3HG2 ILE 47 18.639 24.784 14.916 453 3HG2 ILE 47 1HG2 ILE 47 17.199 24.642 15.934 454 1HD1 ILE 47 2HD1 ILE 47 16.107 22.904 11.872 455 2HD1 ILE 47 3HD1 ILE 47 17.469 23.672 11.045 456 3HD1 ILE 47 1HD1 ILE 47 17.443 21.907 11.250 457 H ILE 48 H ILE 48 17.458 21.353 16.147 458 HA ILE 48 HA ILE 48 16.452 22.809 18.488 459 HB ILE 48 HB ILE 48 14.835 21.078 17.243 460 1HG1 ILE 48 1HG1 ILE 48 14.765 22.672 19.498 461 2HG1 ILE 48 2HG1 ILE 48 13.389 21.785 18.841 462 1HG2 ILE 48 2HG2 ILE 48 16.334 19.215 17.880 463 2HG2 ILE 48 3HG2 ILE 48 15.980 19.546 19.569 464 3HG2 ILE 48 1HG2 ILE 48 14.692 19.026 18.484 465 1HD1 ILE 48 3HD1 ILE 48 15.343 20.438 20.689 466 2HD1 ILE 48 1HD1 ILE 48 13.997 21.384 21.329 467 3HD1 ILE 48 2HD1 ILE 48 13.689 19.978 20.311 468 H VAL 49 H VAL 49 16.718 21.591 20.493 469 HA VAL 49 HA VAL 49 19.189 19.915 20.418 470 HB VAL 49 HB VAL 49 17.850 21.053 22.886 471 1HG1 VAL 49 3HG1 VAL 49 19.754 19.123 22.667 472 2HG1 VAL 49 1HG1 VAL 49 20.779 20.560 22.680 473 3HG1 VAL 49 2HG1 VAL 49 19.682 20.250 24.023 474 1HG2 VAL 49 1HG2 VAL 49 19.309 22.464 20.803 475 2HG2 VAL 49 2HG2 VAL 49 18.532 23.123 22.242 476 3HG2 VAL 49 3HG2 VAL 49 20.190 22.532 22.330 477 H GLU 50 H GLU 50 17.972 18.084 19.623 478 HA GLU 50 HA GLU 50 15.630 17.159 21.089 479 1HB GLU 50 1HB GLU 50 16.551 16.713 18.609 480 2HB GLU 50 2HB GLU 50 17.126 15.253 19.414 481 1HG GLU 50 1HG GLU 50 14.444 15.769 20.287 482 2HG GLU 50 2HG GLU 50 14.476 15.841 18.525 483 H GLU 51 H GLU 51 18.647 17.309 22.085 484 HA GLU 51 HA GLU 51 18.249 15.393 24.133 485 1HB GLU 51 1HB GLU 51 19.563 13.619 23.291 486 2HB GLU 51 2HB GLU 51 18.603 14.165 21.905 487 1HG GLU 51 1HG GLU 51 20.436 14.665 20.743 488 2HG GLU 51 2HG GLU 51 21.047 15.690 22.037 489 H GLY 52 H GLY 52 21.269 14.947 24.004 490 1HA GLY 52 1HA GLY 52 22.133 17.686 24.771 491 2HA GLY 52 2HA GLY 52 22.551 16.282 25.755 492 H LYS 53 H LYS 53 22.826 17.413 22.361 493 HA LYS 53 HA LYS 53 25.221 15.748 21.984 494 1HB LYS 53 1HB LYS 53 24.197 17.789 20.017 495 2HB LYS 53 2HB LYS 53 24.987 16.249 19.694 496 1HG LYS 53 1HG LYS 53 22.648 15.564 21.049 497 2HG LYS 53 2HG LYS 53 22.155 16.856 19.955 498 1HD LYS 53 1HD LYS 53 21.947 14.821 18.686 499 2HD LYS 53 2HD LYS 53 23.440 15.572 18.112 500 1HE LYS 53 1HE LYS 53 24.554 13.737 18.724 501 2HE LYS 53 2HE LYS 53 24.133 14.074 20.399 502 1HZ LYS 53 2HZ LYS 53 21.971 12.943 19.941 503 2HZ LYS 53 3HZ LYS 53 22.603 12.440 18.454 504 3HZ LYS 53 1HZ LYS 53 23.325 11.922 19.903 505 H GLU 54 H GLU 54 26.034 18.040 20.098 506 HA GLU 54 HA GLU 54 27.343 19.963 20.128 507 1HB GLU 54 1HB GLU 54 26.203 21.453 21.356 508 2HB GLU 54 2HB GLU 54 25.616 20.206 22.440 509 1HG GLU 54 1HG GLU 54 28.480 21.001 22.819 510 2HG GLU 54 2HG GLU 54 27.266 22.209 23.225 511 H ILE 55 H ILE 55 29.413 20.255 20.306 512 HA ILE 55 HA ILE 55 31.013 18.653 22.227 513 HB ILE 55 HB ILE 55 31.283 19.529 19.529 514 1HG1 ILE 55 1HG1 ILE 55 33.141 18.018 21.342 515 2HG1 ILE 55 2HG1 ILE 55 31.821 17.310 20.383 516 1HG2 ILE 55 2HG2 ILE 55 32.534 21.433 20.686 517 2HG2 ILE 55 3HG2 ILE 55 33.665 20.193 21.242 518 3HG2 ILE 55 1HG2 ILE 55 33.423 20.465 19.521 519 1HD1 ILE 55 2HD1 ILE 55 33.132 19.022 18.658 520 2HD1 ILE 55 3HD1 ILE 55 34.429 18.191 19.517 521 3HD1 ILE 55 1HD1 ILE 55 33.221 17.272 18.630 522 H LEU 56 H LEU 56 32.932 20.226 23.093 523 HA LEU 56 HA LEU 56 31.611 22.806 23.803 524 1HB LEU 56 1HB LEU 56 33.626 21.328 25.506 525 2HB LEU 56 2HB LEU 56 32.691 22.756 25.953 526 HG LEU 56 HG LEU 56 31.643 20.813 26.943 527 1HD1 LEU 56 1HD1 LEU 56 30.169 21.872 24.517 528 2HD1 LEU 56 2HD1 LEU 56 29.403 21.017 25.858 529 3HD1 LEU 56 3HD1 LEU 56 30.179 22.581 26.134 530 1HD2 LEU 56 3HD2 LEU 56 32.579 19.476 24.717 531 2HD2 LEU 56 1HD2 LEU 56 31.421 18.812 25.875 532 3HD2 LEU 56 2HD2 LEU 56 30.849 19.575 24.390 533 H VAL 57 H VAL 57 33.804 22.004 21.660 534 HA VAL 57 HA VAL 57 35.596 23.231 20.750 535 HB VAL 57 HB VAL 57 34.163 25.110 22.485 536 1HG1 VAL 57 1HG1 VAL 57 37.148 25.338 22.180 537 2HG1 VAL 57 2HG1 VAL 57 36.160 26.797 22.144 538 3HG1 VAL 57 3HG1 VAL 57 36.136 25.758 23.568 539 1HG2 VAL 57 3HG2 VAL 57 34.005 24.857 20.012 540 2HG2 VAL 57 1HG2 VAL 57 34.394 26.502 20.520 541 3HG2 VAL 57 2HG2 VAL 57 35.660 25.455 19.882 542 H GLY 58 H GLY 58 35.817 24.042 24.222 543 1HA GLY 58 1HA GLY 58 38.637 23.600 24.321 544 2HA GLY 58 2HA GLY 58 37.589 23.742 25.721 545 H ASP 59 H ASP 59 35.819 21.506 25.059 546 HA ASP 59 HA ASP 59 37.129 19.357 26.297 547 1HB ASP 59 1HB ASP 59 34.874 19.481 24.315 548 2HB ASP 59 2HB ASP 59 35.643 17.913 24.598 549 H VAL 60 H VAL 60 36.888 20.200 22.876 550 HA VAL 60 HA VAL 60 38.368 18.280 21.595 551 HB VAL 60 HB VAL 60 38.828 21.259 21.285 552 1HG1 VAL 60 1HG1 VAL 60 40.244 19.409 20.088 553 2HG1 VAL 60 2HG1 VAL 60 38.796 19.228 19.096 554 3HG1 VAL 60 3HG1 VAL 60 39.629 20.781 19.163 555 1HG2 VAL 60 1HG2 VAL 60 36.432 19.681 20.958 556 2HG2 VAL 60 2HG2 VAL 60 36.650 21.411 20.697 557 3HG2 VAL 60 3HG2 VAL 60 36.966 20.274 19.386 558 H GLY 61 H GLY 61 39.945 17.300 22.824 559 1HA GLY 61 1HA GLY 61 42.478 17.411 22.872 560 2HA GLY 61 2HA GLY 61 42.276 18.986 23.646 561 H VAL 62 H VAL 62 39.876 16.859 24.562 562 HA VAL 62 HA VAL 62 41.280 16.061 27.071 563 HB VAL 62 HB VAL 62 38.418 16.919 26.519 564 1HG1 VAL 62 1HG1 VAL 62 39.577 15.294 28.755 565 2HG1 VAL 62 2HG1 VAL 62 38.240 16.397 29.082 566 3HG1 VAL 62 3HG1 VAL 62 38.044 15.097 27.905 567 1HG2 VAL 62 2HG2 VAL 62 40.324 18.567 27.077 568 2HG2 VAL 62 3HG2 VAL 62 38.840 18.682 28.024 569 3HG2 VAL 62 1HG2 VAL 62 40.260 17.883 28.702 570 H THR 63 H THR 63 38.083 15.185 25.933 571 HA THR 63 HA THR 63 38.916 12.373 25.667 572 HB THR 63 HB THR 63 36.228 13.758 25.401 573 HG1 THR 63 HG1 THR 63 37.520 13.199 27.512 574 1HG2 THR 63 2HG2 THR 63 37.162 11.009 24.819 575 2HG2 THR 63 3HG2 THR 63 35.632 11.150 25.682 576 3HG2 THR 63 1HG2 THR 63 35.833 11.923 24.111 577 H ILE 64 H ILE 64 38.658 15.273 23.925 578 HA ILE 64 HA ILE 64 38.498 13.803 21.327 579 HB ILE 64 HB ILE 64 38.007 16.449 20.737 580 1HG1 ILE 64 1HG1 ILE 64 36.874 15.775 23.468 581 2HG1 ILE 64 2HG1 ILE 64 37.760 17.221 22.986 582 1HG2 ILE 64 1HG2 ILE 64 36.769 14.002 20.505 583 2HG2 ILE 64 2HG2 ILE 64 35.623 14.899 21.511 584 3HG2 ILE 64 3HG2 ILE 64 36.099 15.528 19.925 585 1HD1 ILE 64 3HD1 ILE 64 35.661 17.206 21.207 586 2HD1 ILE 64 1HD1 ILE 64 34.904 16.575 22.669 587 3HD1 ILE 64 2HD1 ILE 64 35.700 18.150 22.697 588 H THR 65 H THR 65 39.573 15.747 19.628 589 HA THR 65 HA THR 65 42.067 16.760 20.802 590 HB THR 65 HB THR 65 43.311 15.352 18.908 591 HG1 THR 65 HG1 THR 65 41.620 13.347 19.754 592 1HG2 THR 65 3HG2 THR 65 42.996 15.205 21.717 593 2HG2 THR 65 1HG2 THR 65 42.913 13.549 21.117 594 3HG2 THR 65 2HG2 THR 65 44.317 14.550 20.749 595 H ASP 66 H ASP 66 39.703 17.619 18.981 596 HA ASP 66 HA ASP 66 39.748 19.553 17.584 597 1HB ASP 66 1HB ASP 66 42.334 19.421 18.129 598 2HB ASP 66 2HB ASP 66 42.395 18.943 16.427 599 HA PRO 67 HA PRO 67 39.881 16.835 13.700 600 1HB PRO 67 1HB PRO 67 38.882 14.312 14.146 601 2HB PRO 67 2HB PRO 67 40.612 14.678 14.179 602 1HG PRO 67 1HG PRO 67 38.754 14.210 16.478 603 2HG PRO 67 2HG PRO 67 40.483 13.847 16.339 604 1HD PRO 67 1HD PRO 67 39.412 16.063 17.699 605 2HD PRO 67 2HD PRO 67 41.089 15.899 17.127 606 H PHE 68 H PHE 68 37.396 14.800 14.925 607 HA PHE 68 HA PHE 68 35.259 16.605 15.405 608 1HB PHE 68 1HB PHE 68 34.205 16.865 13.331 609 2HB PHE 68 2HB PHE 68 35.907 16.939 12.832 610 HD1 PHE 68 HD1 PHE 68 37.074 14.920 12.061 611 HD2 PHE 68 HD2 PHE 68 32.854 14.931 12.819 612 HE1 PHE 68 HE1 PHE 68 36.874 12.739 10.954 613 HE2 PHE 68 HE2 PHE 68 32.647 12.737 11.679 614 HZ PHE 68 HZ PHE 68 34.655 11.637 10.742 615 H LYS 69 H LYS 69 36.437 13.568 14.064 616 HA LYS 69 HA LYS 69 34.296 11.849 13.921 617 1HB LYS 69 1HB LYS 69 35.797 10.087 14.251 618 2HB LYS 69 2HB LYS 69 36.857 11.398 13.731 619 1HG LYS 69 1HG LYS 69 38.031 10.854 15.611 620 2HG LYS 69 2HG LYS 69 36.813 11.846 16.411 621 1HD LYS 69 1HD LYS 69 37.133 9.599 17.482 622 2HD LYS 69 2HD LYS 69 35.481 9.890 16.938 623 1HE LYS 69 1HE LYS 69 35.570 8.183 15.462 624 2HE LYS 69 2HE LYS 69 37.133 8.713 14.840 625 1HZ LYS 69 1HZ LYS 69 36.763 7.251 17.395 626 2HZ LYS 69 2HZ LYS 69 37.194 6.513 15.927 627 3HZ LYS 69 3HZ LYS 69 38.236 7.642 16.646 628 H HIS 70 H HIS 70 35.369 13.418 16.844 629 HA HIS 70 HA HIS 70 33.982 11.499 18.574 630 1HB HIS 70 1HB HIS 70 35.441 12.506 19.974 631 2HB HIS 70 2HB HIS 70 35.574 13.934 18.937 632 HD1 HIS 70 HD1 HIS 70 33.362 12.425 21.600 633 HD2 HIS 70 HD2 HIS 70 33.744 16.004 19.533 634 HE1 HIS 70 HE1 HIS 70 31.769 14.072 22.650 635 H PHE 71 H PHE 71 33.532 14.896 17.577 636 HA PHE 71 HA PHE 71 31.078 15.343 18.789 637 1HB PHE 71 1HB PHE 71 31.750 17.331 17.786 638 2HB PHE 71 2HB PHE 71 32.563 16.478 16.475 639 HD1 PHE 71 HD1 PHE 71 31.118 15.471 14.606 640 HD2 PHE 71 HD2 PHE 71 29.642 18.284 17.490 641 HE1 PHE 71 HE1 PHE 71 29.205 15.986 13.118 642 HE2 PHE 71 HE2 PHE 71 27.726 18.801 16.006 643 HZ PHE 71 HZ PHE 71 27.505 17.651 13.816 644 H VAL 72 H VAL 72 31.786 13.896 15.629 645 HA VAL 72 HA VAL 72 29.114 13.442 14.791 646 HB VAL 72 HB VAL 72 30.354 11.274 13.766 647 1HG1 VAL 72 3HG1 VAL 72 29.667 13.704 12.808 648 2HG1 VAL 72 1HG1 VAL 72 31.419 13.759 12.620 649 3HG1 VAL 72 2HG1 VAL 72 30.491 12.464 11.860 650 1HG2 VAL 72 2HG2 VAL 72 32.274 12.181 15.400 651 2HG2 VAL 72 3HG2 VAL 72 32.575 11.208 13.963 652 3HG2 VAL 72 1HG2 VAL 72 32.726 12.967 13.895 653 H GLY 73 H GLY 73 31.301 11.639 16.905 654 1HA GLY 73 1HA GLY 73 29.659 9.384 17.413 655 2HA GLY 73 2HA GLY 73 30.808 10.060 18.575 656 H MET 74 H MET 74 29.605 12.689 18.709 657 HA MET 74 HA MET 74 27.694 12.339 20.773 658 1HB MET 74 1HB MET 74 28.006 14.690 18.907 659 2HB MET 74 2HB MET 74 27.097 14.704 20.416 660 1HG MET 74 1HG MET 74 29.209 14.006 21.604 661 2HG MET 74 2HG MET 74 30.075 14.257 20.088 662 1HE MET 74 3HE MET 74 29.176 16.118 18.642 663 2HE MET 74 1HE MET 74 29.039 17.802 19.162 664 3HE MET 74 2HE MET 74 30.625 17.002 19.134 665 H LEU 75 H LEU 75 27.337 12.872 17.366 666 HA LEU 75 HA LEU 75 24.440 12.362 17.569 667 1HB LEU 75 1HB LEU 75 24.409 13.049 15.163 668 2HB LEU 75 2HB LEU 75 25.008 14.293 16.257 669 HG LEU 75 HG LEU 75 27.353 13.191 15.693 670 1HD1 LEU 75 2HD1 LEU 75 25.610 11.692 14.139 671 2HD1 LEU 75 3HD1 LEU 75 26.359 12.811 12.989 672 3HD1 LEU 75 1HD1 LEU 75 27.368 11.748 13.972 673 1HD2 LEU 75 1HD2 LEU 75 25.700 15.264 14.411 674 2HD2 LEU 75 2HD2 LEU 75 27.354 15.361 15.024 675 3HD2 LEU 75 3HD2 LEU 75 27.043 14.689 13.418 676 HA PRO 76 HA PRO 76 25.462 8.183 16.387 677 1HB PRO 76 1HB PRO 76 22.938 7.207 16.876 678 2HB PRO 76 2HB PRO 76 24.126 7.509 18.155 679 1HG PRO 76 1HG PRO 76 21.703 9.096 17.439 680 2HG PRO 76 2HG PRO 76 22.536 8.958 18.999 681 1HD PRO 76 1HD PRO 76 22.776 11.114 17.168 682 2HD PRO 76 2HD PRO 76 23.811 10.815 18.570 683 H GLU 77 H GLU 77 22.077 8.207 15.612 684 HA GLU 77 HA GLU 77 22.384 9.020 12.832 685 1HB GLU 77 1HB GLU 77 21.598 6.155 13.293 686 2HB GLU 77 2HB GLU 77 22.093 6.915 11.786 687 1HG GLU 77 1HG GLU 77 24.385 7.162 12.690 688 2HG GLU 77 2HG GLU 77 23.869 6.362 14.178 689 H LYS 78 H LYS 78 20.430 7.652 15.425 690 HA LYS 78 HA LYS 78 17.971 7.914 13.870 691 1HB LYS 78 1HB LYS 78 16.980 6.635 15.494 692 2HB LYS 78 2HB LYS 78 18.657 6.166 15.753 693 1HG LYS 78 1HG LYS 78 17.313 8.425 17.258 694 2HG LYS 78 2HG LYS 78 17.396 6.779 17.858 695 1HD LYS 78 1HD LYS 78 19.883 8.268 17.028 696 2HD LYS 78 2HD LYS 78 19.213 8.430 18.647 697 1HE LYS 78 1HE LYS 78 19.459 5.651 17.672 698 2HE LYS 78 2HE LYS 78 20.987 6.490 17.944 699 1HZ LYS 78 3HZ LYS 78 20.162 7.099 20.167 700 2HZ LYS 78 1HZ LYS 78 18.771 6.167 19.896 701 3HZ LYS 78 2HZ LYS 78 20.295 5.419 19.959 702 H ASP 79 H ASP 79 19.668 10.413 15.076 703 HA ASP 79 HA ASP 79 17.326 12.067 15.313 704 1HB ASP 79 1HB ASP 79 18.092 10.586 17.708 705 2HB ASP 79 2HB ASP 79 18.020 12.330 17.987 706 H CYS 80 H CYS 80 18.830 13.372 14.069 707 HA CYS 80 HA CYS 80 19.955 15.550 15.305 708 1HB CYS 80 1HB CYS 80 22.478 14.824 15.219 709 2HB CYS 80 2HB CYS 80 21.516 14.438 16.644 710 HG CYS 80 HG CYS 80 21.920 12.317 14.376 711 H ARG 81 H ARG 81 20.285 16.929 13.576 712 HA ARG 81 HA ARG 81 21.630 15.788 11.212 713 1HB ARG 81 1HB ARG 81 19.262 15.587 10.700 714 2HB ARG 81 2HB ARG 81 19.042 17.292 11.064 715 1HG ARG 81 1HG ARG 81 19.810 17.942 9.048 716 2HG ARG 81 2HG ARG 81 21.196 16.855 9.150 717 1HD ARG 81 1HD ARG 81 19.712 14.955 8.528 718 2HD ARG 81 2HD ARG 81 18.377 16.093 8.335 719 HE ARG 81 HE ARG 81 20.870 16.336 6.704 720 1HH1 ARG 81 1HH1 ARG 81 19.822 18.231 5.393 721 2HH1 ARG 81 2HH1 ARG 81 18.441 17.705 4.489 722 1HH2 ARG 81 1HH2 ARG 81 18.077 14.760 6.286 723 2HH2 ARG 81 2HH2 ARG 81 17.449 15.731 4.996 724 H TYR 82 H TYR 82 20.351 18.896 12.560 725 HA TYR 82 HA TYR 82 22.523 20.183 11.006 726 1HB TYR 82 1HB TYR 82 20.021 21.186 12.308 727 2HB TYR 82 2HB TYR 82 21.292 22.299 11.789 728 HD1 TYR 82 HD2 TYR 82 21.630 19.496 9.731 729 HD2 TYR 82 HD1 TYR 82 19.016 22.861 10.311 730 HE1 TYR 82 HE2 TYR 82 20.883 19.313 7.398 731 HE2 TYR 82 HE1 TYR 82 18.272 22.665 7.960 732 HH TYR 82 HH TYR 82 18.746 19.988 6.103 733 H ALA 83 H ALA 83 24.422 20.367 11.961 734 HA ALA 83 HA ALA 83 24.470 21.120 14.800 735 1HB ALA 83 3HB ALA 83 24.834 18.652 14.549 736 2HB ALA 83 1HB ALA 83 26.260 19.023 13.584 737 3HB ALA 83 2HB ALA 83 26.198 19.510 15.272 738 H LEU 84 H LEU 84 25.743 22.825 15.084 739 HA LEU 84 HA LEU 84 27.739 23.562 13.042 740 1HB LEU 84 1HB LEU 84 26.717 24.909 15.559 741 2HB LEU 84 2HB LEU 84 28.093 25.534 14.652 742 HG LEU 84 HG LEU 84 25.249 25.207 13.673 743 1HD1 LEU 84 1HD1 LEU 84 26.812 27.367 14.799 744 2HD1 LEU 84 2HD1 LEU 84 26.343 27.765 13.146 745 3HD1 LEU 84 3HD1 LEU 84 25.111 27.359 14.341 746 1HD2 LEU 84 3HD2 LEU 84 27.738 25.102 12.232 747 2HD2 LEU 84 1HD2 LEU 84 26.093 24.971 11.619 748 3HD2 LEU 84 2HD2 LEU 84 26.852 26.555 11.794 749 H TYR 85 H TYR 85 30.042 24.043 13.926 750 HA TYR 85 HA TYR 85 30.618 22.798 16.510 751 1HB TYR 85 1HB TYR 85 30.729 20.756 15.415 752 2HB TYR 85 2HB TYR 85 31.392 21.474 13.941 753 HD1 TYR 85 HD2 TYR 85 32.225 21.414 17.633 754 HD2 TYR 85 HD1 TYR 85 33.626 21.134 13.557 755 HE1 TYR 85 HE2 TYR 85 34.554 20.967 18.432 756 HE2 TYR 85 HE1 TYR 85 35.933 20.642 14.372 757 HH TYR 85 HH TYR 85 37.239 20.473 16.148 758 H ASP 86 H ASP 86 31.715 24.575 17.210 759 HA ASP 86 HA ASP 86 33.414 26.254 15.720 760 1HB ASP 86 1HB ASP 86 32.871 25.959 18.427 761 2HB ASP 86 2HB ASP 86 34.580 25.553 18.293 762 H ALA 87 H ALA 87 34.740 25.279 14.230 763 HA ALA 87 HA ALA 87 36.229 22.848 14.859 764 1HB ALA 87 3HB ALA 87 35.656 24.366 12.496 765 2HB ALA 87 1HB ALA 87 37.408 24.153 12.615 766 3HB ALA 87 2HB ALA 87 36.337 22.744 12.614 767 H SER 88 H SER 88 38.674 23.320 13.732 768 HA SER 88 HA SER 88 40.065 25.611 14.605 769 1HB SER 88 1HB SER 88 39.850 25.270 16.830 770 2HB SER 88 2HB SER 88 39.680 23.525 16.669 771 HG SER 88 HG SER 88 41.865 24.944 17.239 772 H PHE 89 H PHE 89 41.185 25.382 12.864 773 HA PHE 89 HA PHE 89 43.194 23.171 12.656 774 1HB PHE 89 1HB PHE 89 42.667 23.024 10.227 775 2HB PHE 89 2HB PHE 89 41.243 22.635 11.204 776 HD1 PHE 89 HD1 PHE 89 39.404 24.235 11.462 777 HD2 PHE 89 HD2 PHE 89 42.841 25.161 9.070 778 HE1 PHE 89 HE1 PHE 89 38.202 26.175 10.485 779 HE2 PHE 89 HE2 PHE 89 41.638 27.088 8.078 780 HZ PHE 89 HZ PHE 89 39.320 27.600 8.790 781 H GLU 90 H GLU 90 44.409 23.928 10.329 782 HA GLU 90 HA GLU 90 44.951 26.852 10.609 783 1HB GLU 90 1HB GLU 90 47.007 24.704 10.025 784 2HB GLU 90 2HB GLU 90 47.288 26.452 9.897 785 1HG GLU 90 1HG GLU 90 47.293 26.766 12.142 786 2HG GLU 90 2HG GLU 90 46.082 25.513 12.426 787 H THR 91 H THR 91 45.566 27.822 8.563 788 HA THR 91 HA THR 91 44.778 26.121 6.279 789 HB THR 91 HB THR 91 42.786 27.302 6.641 790 HG1 THR 91 HG1 THR 91 42.686 28.425 4.873 791 1HG2 THR 91 3HG2 THR 91 43.797 28.563 8.526 792 2HG2 THR 91 1HG2 THR 91 44.384 29.757 7.359 793 3HG2 THR 91 2HG2 THR 91 42.651 29.495 7.573 794 H LYS 92 H LYS 92 45.109 27.807 4.083 795 HA LYS 92 HA LYS 92 47.919 28.333 4.058 796 1HB LYS 92 1HB LYS 92 45.732 29.712 2.456 797 2HB LYS 92 2HB LYS 92 47.446 29.647 2.033 798 1HG LYS 92 1HG LYS 92 47.158 27.072 2.146 799 2HG LYS 92 2HG LYS 92 45.429 27.401 2.050 800 1HD LYS 92 1HD LYS 92 45.825 28.704 -0.036 801 2HD LYS 92 2HD LYS 92 47.532 28.265 0.043 802 1HE LYS 92 1HE LYS 92 45.698 25.974 0.288 803 2HE LYS 92 2HE LYS 92 45.610 26.801 -1.267 804 1HZ LYS 92 3HZ LYS 92 48.279 26.344 -0.232 805 2HZ LYS 92 1HZ LYS 92 47.424 24.946 -0.682 806 3HZ LYS 92 2HZ LYS 92 47.686 26.188 -1.812 807 H GLU 93 H GLU 93 45.187 29.862 5.478 808 HA GLU 93 HA GLU 93 46.462 32.448 5.927 809 1HB GLU 93 1HB GLU 93 44.069 31.547 7.482 810 2HB GLU 93 2HB GLU 93 44.440 33.141 6.831 811 1HG GLU 93 1HG GLU 93 43.588 30.713 5.228 812 2HG GLU 93 2HG GLU 93 42.613 32.144 5.555 813 H SER 94 H SER 94 45.966 29.412 7.557 814 HA SER 94 HA SER 94 47.651 28.612 9.127 815 1HB SER 94 1HB SER 94 47.363 31.366 10.262 816 2HB SER 94 2HB SER 94 48.368 30.067 10.911 817 HG SER 94 HG SER 94 48.851 30.421 8.285 818 H ARG 95 H ARG 95 47.390 28.741 11.716 819 HA ARG 95 HA ARG 95 45.128 27.368 12.433 820 1HB ARG 95 1HB ARG 95 47.061 27.722 13.910 821 2HB ARG 95 2HB ARG 95 46.514 29.372 14.189 822 1HG ARG 95 1HG ARG 95 45.650 28.139 16.028 823 2HG ARG 95 2HG ARG 95 44.286 28.332 14.926 824 1HD ARG 95 1HD ARG 95 44.090 26.100 14.724 825 2HD ARG 95 2HD ARG 95 45.767 25.980 14.192 826 HE ARG 95 HE ARG 95 46.281 25.168 16.332 827 1HH1 ARG 95 1HH1 ARG 95 43.148 26.540 16.283 828 2HH1 ARG 95 2HH1 ARG 95 42.966 26.547 18.006 829 1HH2 ARG 95 1HH2 ARG 95 46.186 25.417 18.616 830 2HH2 ARG 95 2HH2 ARG 95 44.688 25.916 19.326 831 H LYS 96 H LYS 96 43.306 28.101 11.598 832 HA LYS 96 HA LYS 96 42.086 30.496 12.865 833 1HB LYS 96 1HB LYS 96 41.527 29.744 9.987 834 2HB LYS 96 2HB LYS 96 41.105 31.236 10.824 835 1HG LYS 96 1HG LYS 96 43.955 30.834 10.979 836 2HG LYS 96 2HG LYS 96 43.439 30.716 9.298 837 1HD LYS 96 1HD LYS 96 42.710 32.986 11.172 838 2HD LYS 96 2HD LYS 96 43.996 33.050 9.965 839 1HE LYS 96 1HE LYS 96 42.392 32.713 8.167 840 2HE LYS 96 2HE LYS 96 41.087 32.472 9.327 841 1HZ LYS 96 3HZ LYS 96 42.391 34.901 9.883 842 2HZ LYS 96 1HZ LYS 96 41.979 34.871 8.239 843 3HZ LYS 96 2HZ LYS 96 40.778 34.646 9.418 844 H GLU 97 H GLU 97 40.613 29.487 14.165 845 HA GLU 97 HA GLU 97 39.403 26.974 13.443 846 1HB GLU 97 1HB GLU 97 39.485 26.922 15.705 847 2HB GLU 97 2HB GLU 97 39.637 28.673 15.819 848 1HG GLU 97 1HG GLU 97 37.236 28.916 15.448 849 2HG GLU 97 2HG GLU 97 37.077 27.169 15.294 850 H GLU 98 H GLU 98 37.697 26.825 12.240 851 HA GLU 98 HA GLU 98 35.671 29.013 12.220 852 1HB GLU 98 1HB GLU 98 36.319 29.424 10.104 853 2HB GLU 98 2HB GLU 98 37.225 27.916 9.992 854 1HG GLU 98 1HG GLU 98 35.311 26.678 9.369 855 2HG GLU 98 2HG GLU 98 34.209 27.941 9.921 856 H LEU 99 H LEU 99 33.953 28.151 13.150 857 HA LEU 99 HA LEU 99 33.267 25.388 13.389 858 1HB LEU 99 1HB LEU 99 31.314 26.166 14.376 859 2HB LEU 99 2HB LEU 99 32.357 27.579 14.527 860 HG LEU 99 HG LEU 99 31.363 28.131 12.126 861 1HD1 LEU 99 2HD1 LEU 99 29.804 25.907 13.087 862 2HD1 LEU 99 3HD1 LEU 99 28.768 27.326 12.883 863 3HD1 LEU 99 1HD1 LEU 99 29.716 26.726 11.500 864 1HD2 LEU 99 3HD2 LEU 99 30.900 28.982 14.787 865 2HD2 LEU 99 1HD2 LEU 99 30.512 29.875 13.320 866 3HD2 LEU 99 2HD2 LEU 99 29.294 28.839 14.072 867 H MET 100 H MET 100 31.379 24.323 12.381 868 HA MET 100 HA MET 100 30.790 25.264 9.639 869 1HB MET 100 1HB MET 100 32.014 22.620 10.329 870 2HB MET 100 2HB MET 100 31.582 23.187 8.709 871 1HG MET 100 1HG MET 100 33.095 25.168 9.079 872 2HG MET 100 2HG MET 100 33.628 24.418 10.579 873 1HE MET 100 2HE MET 100 33.151 21.503 9.636 874 2HE MET 100 3HE MET 100 32.566 21.958 8.037 875 3HE MET 100 1HE MET 100 34.013 20.957 8.187 876 H PHE 101 H PHE 101 28.892 24.655 8.893 877 HA PHE 101 HA PHE 101 26.868 23.690 10.600 878 1HB PHE 101 1HB PHE 101 26.763 25.052 8.384 879 2HB PHE 101 2HB PHE 101 26.752 23.469 7.659 880 HD1 PHE 101 HD1 PHE 101 25.265 23.368 10.868 881 HD2 PHE 101 HD2 PHE 101 24.478 24.389 6.782 882 HE1 PHE 101 HE1 PHE 101 22.846 23.131 11.288 883 HE2 PHE 101 HE2 PHE 101 22.035 24.179 7.212 884 HZ PHE 101 HZ PHE 101 21.232 23.531 9.457 885 H PHE 102 H PHE 102 25.782 21.620 10.608 886 HA PHE 102 HA PHE 102 27.101 19.556 8.905 887 1HB PHE 102 1HB PHE 102 26.564 19.503 11.847 888 2HB PHE 102 2HB PHE 102 26.464 17.999 10.932 889 HD1 PHE 102 HD1 PHE 102 28.661 20.977 11.429 890 HD2 PHE 102 HD2 PHE 102 28.400 16.807 10.421 891 HE1 PHE 102 HE1 PHE 102 31.129 20.870 11.377 892 HE2 PHE 102 HE2 PHE 102 30.903 16.696 10.363 893 HZ PHE 102 HZ PHE 102 32.257 18.708 10.815 894 H LEU 103 H LEU 103 25.580 18.593 7.630 895 HA LEU 103 HA LEU 103 22.722 18.915 8.335 896 1HB LEU 103 1HB LEU 103 23.602 17.512 5.842 897 2HB LEU 103 2HB LEU 103 22.263 18.635 6.083 898 HG LEU 103 HG LEU 103 25.184 19.272 5.726 899 1HD1 LEU 103 3HD1 LEU 103 22.608 20.261 4.493 900 2HD1 LEU 103 1HD1 LEU 103 24.203 20.903 4.109 901 3HD1 LEU 103 2HD1 LEU 103 23.804 19.234 3.723 902 1HD2 LEU 103 1HD2 LEU 103 23.209 20.604 7.441 903 2HD2 LEU 103 2HD2 LEU 103 24.962 20.783 7.393 904 3HD2 LEU 103 3HD2 LEU 103 23.953 21.682 6.254 905 H TRP 104 H TRP 104 24.500 17.313 9.791 906 HA TRP 104 HA TRP 104 24.992 14.767 9.488 907 1HB TRP 104 1HB TRP 104 25.094 15.773 11.707 908 2HB TRP 104 2HB TRP 104 23.331 15.774 11.820 909 HD1 TRP 104 HD1 TRP 104 23.034 13.944 13.707 910 HE1 TRP 104 HE1 TRP 104 23.490 11.371 13.722 911 HE3 TRP 104 HE3 TRP 104 25.873 13.537 9.506 912 HZ2 TRP 104 HZ2 TRP 104 25.015 9.453 12.087 913 HZ3 TRP 104 HZ3 TRP 104 26.746 11.444 8.750 914 HH2 TRP 104 HH2 TRP 104 26.343 9.366 10.024 915 H ALA 105 H ALA 105 23.641 13.945 7.693 916 HA ALA 105 HA ALA 105 20.870 13.194 8.551 917 1HB ALA 105 2HB ALA 105 21.520 14.612 6.336 918 2HB ALA 105 3HB ALA 105 21.666 12.976 5.687 919 3HB ALA 105 1HB ALA 105 20.141 13.511 6.391 920 HA PRO 106 HA PRO 106 23.215 9.300 8.557 921 1HB PRO 106 1HB PRO 106 21.620 8.139 10.482 922 2HB PRO 106 2HB PRO 106 23.041 9.135 10.838 923 1HG PRO 106 1HG PRO 106 20.149 9.846 11.023 924 2HG PRO 106 2HG PRO 106 21.512 10.460 11.969 925 1HD PRO 106 1HD PRO 106 20.273 11.813 9.856 926 2HD PRO 106 2HD PRO 106 21.897 12.181 10.481 927 H GLU 107 H GLU 107 22.720 7.473 7.410 928 HA GLU 107 HA GLU 107 20.482 7.456 5.689 929 1HB GLU 107 1HB GLU 107 22.201 5.113 6.550 930 2HB GLU 107 2HB GLU 107 21.192 5.183 5.104 931 1HG GLU 107 1HG GLU 107 23.121 7.413 5.470 932 2HG GLU 107 2HG GLU 107 23.812 5.837 5.084 933 H LEU 108 H LEU 108 20.470 6.760 9.029 934 HA LEU 108 HA LEU 108 18.102 4.974 8.687 935 1HB LEU 108 1HB LEU 108 18.950 3.618 10.251 936 2HB LEU 108 2HB LEU 108 20.461 4.504 10.054 937 HG LEU 108 HG LEU 108 19.485 6.177 11.751 938 1HD1 LEU 108 1HD1 LEU 108 17.308 4.431 11.424 939 2HD1 LEU 108 2HD1 LEU 108 17.930 4.124 13.054 940 3HD1 LEU 108 3HD1 LEU 108 17.449 5.757 12.579 941 1HD2 LEU 108 2HD2 LEU 108 21.301 4.537 12.188 942 2HD2 LEU 108 3HD2 LEU 108 20.287 4.808 13.607 943 3HD2 LEU 108 1HD2 LEU 108 20.084 3.343 12.644 944 H ALA 109 H ALA 109 19.212 7.999 10.002 945 HA ALA 109 HA ALA 109 17.628 8.627 12.128 946 1HB ALA 109 1HB ALA 109 18.687 10.134 9.902 947 2HB ALA 109 2HB ALA 109 17.106 10.775 10.376 948 3HB ALA 109 3HB ALA 109 18.412 10.657 11.573 949 HA PRO 110 HA PRO 110 13.396 8.339 11.283 950 1HB PRO 110 1HB PRO 110 12.406 10.816 12.019 951 2HB PRO 110 2HB PRO 110 12.865 9.539 13.161 952 1HG PRO 110 1HG PRO 110 14.363 12.024 12.407 953 2HG PRO 110 2HG PRO 110 14.336 11.154 13.952 954 1HD PRO 110 1HD PRO 110 16.408 10.986 12.109 955 2HD PRO 110 2HD PRO 110 16.060 9.743 13.327 956 H LEU 111 H LEU 111 11.738 8.918 9.780 957 HA LEU 111 HA LEU 111 12.694 9.846 7.242 958 1HB LEU 111 1HB LEU 111 10.684 8.283 7.914 959 2HB LEU 111 2HB LEU 111 9.785 9.792 7.969 960 HG LEU 111 HG LEU 111 11.418 9.658 5.576 961 1HD1 LEU 111 1HD1 LEU 111 9.770 7.291 6.344 962 2HD1 LEU 111 2HD1 LEU 111 9.650 7.851 4.677 963 3HD1 LEU 111 3HD1 LEU 111 11.215 7.372 5.335 964 1HD2 LEU 111 1HD2 LEU 111 8.745 10.390 6.500 965 2HD2 LEU 111 2HD2 LEU 111 9.685 11.060 5.170 966 3HD2 LEU 111 3HD2 LEU 111 8.707 9.617 4.914 967 H LYS 112 H LYS 112 11.525 11.488 9.993 968 HA LYS 112 HA LYS 112 10.722 13.900 8.468 969 1HB LYS 112 1HB LYS 112 10.927 13.662 11.464 970 2HB LYS 112 2HB LYS 112 9.857 14.700 10.515 971 1HG LYS 112 1HG LYS 112 9.728 11.684 10.400 972 2HG LYS 112 2HG LYS 112 8.763 12.630 11.535 973 1HD LYS 112 1HD LYS 112 7.265 12.564 9.787 974 2HD LYS 112 2HD LYS 112 8.180 13.990 9.301 975 1HE LYS 112 1HE LYS 112 9.618 12.578 7.856 976 2HE LYS 112 2HE LYS 112 8.699 11.157 8.352 977 1HZ LYS 112 1HZ LYS 112 6.803 12.952 7.554 978 2HZ LYS 112 2HZ LYS 112 8.047 13.138 6.410 979 3HZ LYS 112 3HZ LYS 112 7.352 11.611 6.666 980 H SER 113 H SER 113 13.564 12.601 9.419 981 HA SER 113 HA SER 113 14.780 15.301 9.810 982 1HB SER 113 1HB SER 113 15.258 14.069 11.803 983 2HB SER 113 2HB SER 113 15.591 12.591 10.906 984 HG SER 113 HG SER 113 17.475 13.479 10.166 985 H LYS 114 H LYS 114 14.180 13.071 7.546 986 HA LYS 114 HA LYS 114 16.821 13.432 6.204 987 1HB LYS 114 1HB LYS 114 16.203 11.401 4.872 988 2HB LYS 114 2HB LYS 114 16.410 11.070 6.589 989 1HG LYS 114 1HG LYS 114 14.339 10.213 6.639 990 2HG LYS 114 2HG LYS 114 13.673 11.792 6.221 991 1HD LYS 114 1HD LYS 114 12.935 10.224 4.534 992 2HD LYS 114 2HD LYS 114 14.170 11.246 3.797 993 1HE LYS 114 1HE LYS 114 15.018 9.212 3.156 994 2HE LYS 114 2HE LYS 114 15.763 9.302 4.752 995 1HZ LYS 114 3HZ LYS 114 13.067 8.211 4.631 996 2HZ LYS 114 1HZ LYS 114 14.299 7.249 3.965 997 3HZ LYS 114 2HZ LYS 114 14.386 7.744 5.588 998 H MET 115 H MET 115 13.325 13.531 5.934 999 HA MET 115 HA MET 115 13.419 14.593 3.154 1000 1HB MET 115 1HB MET 115 11.077 14.343 5.056 1001 2HB MET 115 2HB MET 115 11.009 14.557 3.302 1002 1HG MET 115 1HG MET 115 12.629 12.262 3.864 1003 2HG MET 115 2HG MET 115 11.112 12.105 4.743 1004 1HE MET 115 2HE MET 115 13.048 12.011 1.676 1005 2HE MET 115 3HE MET 115 12.360 10.411 1.982 1006 3HE MET 115 1HE MET 115 11.968 11.272 0.497 1007 H ILE 116 H ILE 116 12.938 15.545 6.455 1008 HA ILE 116 HA ILE 116 11.704 18.015 5.951 1009 HB ILE 116 HB ILE 116 12.969 16.441 8.090 1010 1HG1 ILE 116 1HG1 ILE 116 10.803 16.327 8.967 1011 2HG1 ILE 116 2HG1 ILE 116 10.294 17.817 8.177 1012 1HG2 ILE 116 3HG2 ILE 116 12.610 19.359 8.086 1013 2HG2 ILE 116 1HG2 ILE 116 12.176 18.489 9.562 1014 3HG2 ILE 116 2HG2 ILE 116 13.798 18.331 8.893 1015 1HD1 ILE 116 1HD1 ILE 116 10.930 15.202 6.778 1016 2HD1 ILE 116 2HD1 ILE 116 9.310 15.841 7.063 1017 3HD1 ILE 116 3HD1 ILE 116 10.415 16.688 5.981 1018 H TYR 117 H TYR 117 14.776 17.201 7.422 1019 HA TYR 117 HA TYR 117 15.906 19.719 7.633 1020 1HB TYR 117 1HB TYR 117 17.001 16.991 7.198 1021 2HB TYR 117 2HB TYR 117 18.104 18.389 7.115 1022 HD1 TYR 117 HD1 TYR 117 17.992 20.060 9.079 1023 HD2 TYR 117 HD2 TYR 117 16.385 16.095 9.296 1024 HE1 TYR 117 HE1 TYR 117 17.987 20.203 11.552 1025 HE2 TYR 117 HE2 TYR 117 16.387 16.229 11.779 1026 HH TYR 117 HH TYR 117 17.180 19.254 13.428 1027 H ALA 118 H ALA 118 15.515 17.636 4.944 1028 HA ALA 118 HA ALA 118 17.097 18.547 2.912 1029 1HB ALA 118 1HB ALA 118 14.587 17.271 3.266 1030 2HB ALA 118 2HB ALA 118 14.376 18.498 2.003 1031 3HB ALA 118 3HB ALA 118 15.611 17.247 1.822 1032 H SER 119 H SER 119 13.986 20.030 3.880 1033 HA SER 119 HA SER 119 14.816 22.518 2.468 1034 1HB SER 119 1HB SER 119 12.147 22.086 3.754 1035 2HB SER 119 2HB SER 119 12.552 23.108 2.381 1036 HG SER 119 HG SER 119 12.613 21.375 1.089 1037 H SER 120 H SER 120 14.896 21.167 5.541 1038 HA SER 120 HA SER 120 14.168 23.487 7.115 1039 1HB SER 120 1HB SER 120 14.951 22.348 8.982 1040 2HB SER 120 2HB SER 120 14.600 20.996 7.908 1041 HG SER 120 HG SER 120 16.833 21.474 9.037 1042 H LYS 121 H LYS 121 16.924 22.468 5.333 1043 HA LYS 121 HA LYS 121 18.698 24.507 6.411 1044 1HB LYS 121 1HB LYS 121 18.934 22.242 4.697 1045 2HB LYS 121 2HB LYS 121 19.574 23.677 3.890 1046 1HG LYS 121 1HG LYS 121 21.068 24.156 5.640 1047 2HG LYS 121 2HG LYS 121 20.246 23.078 6.771 1048 1HD LYS 121 1HD LYS 121 22.061 21.750 6.126 1049 2HD LYS 121 2HD LYS 121 20.841 21.242 4.953 1050 1HE LYS 121 1HE LYS 121 22.101 23.586 3.921 1051 2HE LYS 121 2HE LYS 121 23.377 22.492 4.446 1052 1HZ LYS 121 3HZ LYS 121 21.473 20.932 3.181 1053 2HZ LYS 121 1HZ LYS 121 21.684 22.296 2.191 1054 3HZ LYS 121 2HZ LYS 121 23.019 21.332 2.607 1055 H ASP 122 H ASP 122 17.225 26.013 6.175 1056 HA ASP 122 HA ASP 122 17.426 27.915 4.099 1057 1HB ASP 122 1HB ASP 122 15.851 25.977 3.132 1058 2HB ASP 122 2HB ASP 122 14.656 26.736 4.188 1059 H ALA 123 H ALA 123 15.449 26.291 6.460 1060 HA ALA 123 HA ALA 123 14.383 28.742 7.680 1061 1HB ALA 123 2HB ALA 123 13.534 26.195 7.752 1062 2HB ALA 123 3HB ALA 123 14.586 26.151 9.170 1063 3HB ALA 123 1HB ALA 123 13.239 27.292 9.105 1064 H ILE 124 H ILE 124 16.624 26.169 8.713 1065 HA ILE 124 HA ILE 124 17.850 27.497 10.874 1066 HB ILE 124 HB ILE 124 18.252 25.148 10.390 1067 1HG1 ILE 124 1HG1 ILE 124 20.921 26.287 9.847 1068 2HG1 ILE 124 2HG1 ILE 124 20.075 26.941 11.249 1069 1HG2 ILE 124 3HG2 ILE 124 18.192 25.655 7.853 1070 2HG2 ILE 124 1HG2 ILE 124 19.913 26.000 8.041 1071 3HG2 ILE 124 2HG2 ILE 124 19.287 24.393 8.421 1072 1HD1 ILE 124 3HD1 ILE 124 20.212 23.987 10.796 1073 2HD1 ILE 124 1HD1 ILE 124 21.564 24.824 11.569 1074 3HD1 ILE 124 2HD1 ILE 124 19.945 24.861 12.317 1075 H LYS 125 H LYS 125 18.497 27.426 7.415 1076 HA LYS 125 HA LYS 125 20.854 28.941 7.289 1077 1HB LYS 125 1HB LYS 125 18.681 28.172 5.494 1078 2HB LYS 125 2HB LYS 125 19.353 29.752 5.089 1079 1HG LYS 125 1HG LYS 125 20.587 28.009 3.914 1080 2HG LYS 125 2HG LYS 125 21.624 28.760 5.123 1081 1HD LYS 125 1HD LYS 125 20.129 26.527 6.234 1082 2HD LYS 125 2HD LYS 125 21.118 26.031 4.858 1083 1HE LYS 125 1HE LYS 125 22.312 27.825 6.942 1084 2HE LYS 125 2HE LYS 125 22.169 26.101 7.271 1085 1HZ LYS 125 3HZ LYS 125 23.195 25.947 4.878 1086 2HZ LYS 125 1HZ LYS 125 23.792 27.488 5.268 1087 3HZ LYS 125 2HZ LYS 125 24.184 26.152 6.240 1088 H LYS 126 H LYS 126 17.474 30.039 7.543 1089 HA LYS 126 HA LYS 126 17.938 32.816 7.105 1090 1HB LYS 126 1HB LYS 126 15.940 31.482 8.961 1091 2HB LYS 126 2HB LYS 126 15.906 33.187 8.507 1092 1HG LYS 126 1HG LYS 126 16.101 31.350 6.216 1093 2HG LYS 126 2HG LYS 126 14.610 31.181 7.144 1094 1HD LYS 126 1HD LYS 126 15.631 33.897 6.323 1095 2HD LYS 126 2HD LYS 126 14.642 32.928 5.231 1096 1HE LYS 126 1HE LYS 126 12.773 33.514 6.339 1097 2HE LYS 126 2HE LYS 126 13.454 32.933 7.860 1098 1HZ LYS 126 2HZ LYS 126 14.559 35.429 6.919 1099 2HZ LYS 126 3HZ LYS 126 12.911 35.503 7.322 1100 3HZ LYS 126 1HZ LYS 126 14.047 34.986 8.474 1101 H LYS 127 H LYS 127 18.597 30.769 9.812 1102 HA LYS 127 HA LYS 127 19.548 33.093 11.411 1103 1HB LYS 127 1HB LYS 127 19.181 30.279 12.437 1104 2HB LYS 127 2HB LYS 127 19.227 31.784 13.359 1105 1HG LYS 127 1HG LYS 127 17.047 30.956 11.416 1106 2HG LYS 127 2HG LYS 127 16.909 30.977 13.175 1107 1HD LYS 127 1HD LYS 127 16.780 33.271 13.276 1108 2HD LYS 127 2HD LYS 127 17.806 33.496 11.860 1109 1HE LYS 127 1HE LYS 127 16.032 33.029 10.362 1110 2HE LYS 127 2HE LYS 127 15.029 32.333 11.634 1111 1HZ LYS 127 3HZ LYS 127 15.031 34.577 12.682 1112 2HZ LYS 127 1HZ LYS 127 15.780 35.180 11.285 1113 3HZ LYS 127 2HZ LYS 127 14.225 34.502 11.188 1114 H PHE 128 H PHE 128 20.493 30.537 9.447 1115 HA PHE 128 HA PHE 128 23.219 30.390 10.633 1116 1HB PHE 128 1HB PHE 128 21.540 28.553 9.007 1117 2HB PHE 128 2HB PHE 128 23.259 28.596 8.606 1118 HD1 PHE 128 HD2 PHE 128 22.121 29.578 11.886 1119 HD2 PHE 128 HD1 PHE 128 23.650 26.281 9.565 1120 HE1 PHE 128 HE2 PHE 128 22.616 28.332 13.960 1121 HE2 PHE 128 HE1 PHE 128 24.116 25.048 11.678 1122 HZ PHE 128 HZ PHE 128 23.601 26.069 13.865 1123 H GLN 129 H GLN 129 22.267 32.611 9.524 1124 HA GLN 129 HA GLN 129 22.759 33.124 6.783 1125 1HB GLN 129 1HB GLN 129 23.594 35.163 8.811 1126 2HB GLN 129 2HB GLN 129 22.642 35.374 7.340 1127 1HG GLN 129 1HG GLN 129 21.064 33.664 8.840 1128 2HG GLN 129 2HG GLN 129 21.748 34.730 10.066 1129 1HE2 GLN 129 2HE2 GLN 129 18.885 36.106 7.557 1130 2HE2 GLN 129 1HE2 GLN 129 19.419 34.497 7.514 1131 H GLY 130 H GLY 130 24.957 32.503 9.379 1132 1HA GLY 130 1HA GLY 130 27.243 32.802 7.478 1133 2HA GLY 130 2HA GLY 130 27.376 33.403 9.136 1134 H ILE 131 H ILE 131 26.213 30.410 7.551 1135 HA ILE 131 HA ILE 131 26.653 28.711 9.707 1136 HB ILE 131 HB ILE 131 25.922 28.483 6.971 1137 1HG1 ILE 131 1HG1 ILE 131 24.476 27.445 8.439 1138 2HG1 ILE 131 2HG1 ILE 131 25.382 26.086 7.772 1139 1HG2 ILE 131 2HG2 ILE 131 28.250 27.641 6.726 1140 2HG2 ILE 131 3HG2 ILE 131 27.819 26.373 7.897 1141 3HG2 ILE 131 1HG2 ILE 131 26.997 26.456 6.341 1142 1HD1 ILE 131 3HD1 ILE 131 27.035 26.503 9.694 1143 2HD1 ILE 131 1HD1 ILE 131 25.706 27.444 10.423 1144 3HD1 ILE 131 2HD1 ILE 131 25.486 25.726 10.080 1145 H LYS 132 H LYS 132 28.841 29.871 7.337 1146 HA LYS 132 HA LYS 132 31.220 29.844 7.422 1147 1HB LYS 132 1HB LYS 132 31.095 27.682 9.523 1148 2HB LYS 132 2HB LYS 132 32.409 28.810 9.191 1149 1HG LYS 132 1HG LYS 132 29.779 29.335 10.542 1150 2HG LYS 132 2HG LYS 132 31.400 29.655 11.146 1151 1HD LYS 132 1HD LYS 132 30.146 31.057 8.773 1152 2HD LYS 132 2HD LYS 132 30.263 31.737 10.395 1153 1HE LYS 132 1HE LYS 132 32.718 31.553 10.308 1154 2HE LYS 132 2HE LYS 132 32.613 30.861 8.690 1155 1HZ LYS 132 3HZ LYS 132 31.614 33.550 9.460 1156 2HZ LYS 132 1HZ LYS 132 33.083 33.248 8.660 1157 3HZ LYS 132 2HZ LYS 132 31.614 32.885 7.896 1158 H HIS 133 H HIS 133 29.532 26.743 8.094 1159 HA HIS 133 HA HIS 133 30.582 25.850 5.431 1160 1HB HIS 133 1HB HIS 133 31.681 24.968 7.966 1161 2HB HIS 133 2HB HIS 133 31.215 23.643 6.894 1162 HD1 HIS 133 HD1 HIS 133 31.907 24.647 4.166 1163 HD2 HIS 133 HD2 HIS 133 34.317 25.425 7.464 1164 HE1 HIS 133 HE1 HIS 133 34.213 25.177 3.256 1165 H GLU 134 H GLU 134 28.378 25.459 4.733 1166 HA GLU 134 HA GLU 134 26.666 23.670 6.175 1167 1HB GLU 134 1HB GLU 134 25.334 24.549 4.645 1168 2HB GLU 134 2HB GLU 134 26.664 24.949 3.566 1169 1HG GLU 134 1HG GLU 134 25.937 22.079 3.850 1170 2HG GLU 134 2HG GLU 134 24.824 23.106 2.958 1171 H CYS 135 H CYS 135 27.421 21.741 6.663 1172 HA CYS 135 HA CYS 135 28.944 20.167 4.604 1173 1HB CYS 135 1HB CYS 135 30.313 21.002 6.574 1174 2HB CYS 135 2HB CYS 135 29.336 19.954 7.607 1175 HG CYS 135 HG CYS 135 30.206 17.909 6.097 1176 H GLN 136 H GLN 136 27.253 18.789 3.901 1177 HA GLN 136 HA GLN 136 25.435 17.489 5.766 1178 1HB GLN 136 1HB GLN 136 24.976 17.971 3.300 1179 2HB GLN 136 2HB GLN 136 26.028 16.610 2.936 1180 1HG GLN 136 1HG GLN 136 24.485 15.081 3.586 1181 2HG GLN 136 2HG GLN 136 24.003 16.024 4.988 1182 1HE2 GLN 136 2HE2 GLN 136 21.152 17.332 3.413 1183 2HE2 GLN 136 1HE2 GLN 136 22.056 17.218 4.833 1184 H ALA 137 H ALA 137 25.250 15.072 5.857 1185 HA ALA 137 HA ALA 137 27.600 13.434 5.374 1186 1HB ALA 137 2HB ALA 137 27.517 14.829 7.816 1187 2HB ALA 137 3HB ALA 137 27.066 13.169 8.184 1188 3HB ALA 137 1HB ALA 137 28.592 13.503 7.377 1189 H ASN 138 H ASN 138 26.620 11.649 4.667 1190 HA ASN 138 HA ASN 138 24.179 10.798 6.127 1191 1HB ASN 138 1HB ASN 138 25.014 10.224 3.287 1192 2HB ASN 138 2HB ASN 138 23.643 9.442 4.092 1193 1HD2 ASN 138 2HD2 ASN 138 23.257 13.562 3.688 1194 2HD2 ASN 138 1HD2 ASN 138 24.760 12.919 4.139 1195 H GLY 139 H GLY 139 26.365 10.551 7.243 1196 1HA GLY 139 1HA GLY 139 26.702 8.012 8.223 1197 2HA GLY 139 2HA GLY 139 27.894 8.145 6.903 1198 HA PRO 140 HA PRO 140 28.798 10.994 10.632 1199 1HB PRO 140 1HB PRO 140 30.298 9.327 12.262 1200 2HB PRO 140 2HB PRO 140 28.572 9.669 12.487 1201 1HG PRO 140 1HG PRO 140 29.878 7.244 11.328 1202 2HG PRO 140 2HG PRO 140 28.368 7.376 12.245 1203 1HD PRO 140 1HD PRO 140 28.489 7.094 9.464 1204 2HD PRO 140 2HD PRO 140 27.105 7.788 10.333 1205 H GLU 141 H GLU 141 30.211 9.042 8.318 1206 HA GLU 141 HA GLU 141 33.030 9.753 8.742 1207 1HB GLU 141 1HB GLU 141 33.282 7.853 7.569 1208 2HB GLU 141 2HB GLU 141 31.535 7.772 7.293 1209 1HG GLU 141 1HG GLU 141 31.742 9.328 5.416 1210 2HG GLU 141 2HG GLU 141 33.480 9.443 5.692 1211 H ASP 142 H ASP 142 30.263 11.051 7.000 1212 HA ASP 142 HA ASP 142 31.865 12.433 5.004 1213 1HB ASP 142 1HB ASP 142 29.067 12.199 5.684 1214 2HB ASP 142 2HB ASP 142 29.494 13.901 5.506 1215 H LEU 143 H LEU 143 31.166 12.751 8.309 1216 HA LEU 143 HA LEU 143 31.817 15.583 8.553 1217 1HB LEU 143 1HB LEU 143 31.388 13.360 10.554 1218 2HB LEU 143 2HB LEU 143 31.719 15.026 11.010 1219 HG LEU 143 HG LEU 143 29.478 15.329 10.965 1220 1HD1 LEU 143 3HD1 LEU 143 30.211 16.296 8.733 1221 2HD1 LEU 143 1HD1 LEU 143 29.644 14.810 7.987 1222 3HD1 LEU 143 2HD1 LEU 143 28.514 15.862 8.834 1223 1HD2 LEU 143 3HD2 LEU 143 29.466 12.674 9.523 1224 2HD2 LEU 143 1HD2 LEU 143 28.884 13.045 11.145 1225 3HD2 LEU 143 2HD2 LEU 143 27.986 13.606 9.742 1226 H ASN 144 H ASN 144 33.524 13.001 7.730 1227 HA ASN 144 HA ASN 144 35.652 12.417 9.204 1228 1HB ASN 144 1HB ASN 144 35.318 11.760 6.847 1229 2HB ASN 144 2HB ASN 144 35.799 13.379 6.366 1230 1HD2 ASN 144 2HD2 ASN 144 38.675 11.291 8.311 1231 2HD2 ASN 144 1HD2 ASN 144 37.075 11.279 8.894 1232 H ARG 145 H ARG 145 37.708 13.363 9.435 1233 HA ARG 145 HA ARG 145 37.568 16.283 9.768 1234 1HB ARG 145 1HB ARG 145 40.121 15.720 10.437 1235 2HB ARG 145 2HB ARG 145 38.779 15.646 11.571 1236 1HG ARG 145 1HG ARG 145 38.774 13.355 11.632 1237 2HG ARG 145 2HG ARG 145 39.286 13.205 9.942 1238 1HD ARG 145 1HD ARG 145 41.565 13.969 10.597 1239 2HD ARG 145 2HD ARG 145 41.046 14.004 12.283 1240 HE ARG 145 HE ARG 145 40.551 11.416 11.083 1241 1HH1 ARG 145 1HH1 ARG 145 43.492 12.661 10.761 1242 2HH1 ARG 145 2HH1 ARG 145 44.287 11.750 12.001 1243 1HH2 ARG 145 1HH2 ARG 145 41.339 10.584 13.403 1244 2HH2 ARG 145 2HH2 ARG 145 43.068 10.570 13.494 1245 H ALA 146 H ALA 146 38.922 13.926 7.658 1246 HA ALA 146 HA ALA 146 40.820 15.665 6.316 1247 1HB ALA 146 1HB ALA 146 40.440 13.001 6.247 1248 2HB ALA 146 2HB ALA 146 39.377 13.444 4.905 1249 3HB ALA 146 3HB ALA 146 41.099 13.860 4.849 1250 H CYS 147 H CYS 147 37.493 14.721 6.144 1251 HA CYS 147 HA CYS 147 36.797 16.175 3.700 1252 1HB CYS 147 1HB CYS 147 35.694 14.164 4.824 1253 2HB CYS 147 2HB CYS 147 34.948 15.381 5.888 1254 HG CYS 147 HG CYS 147 33.949 16.484 3.642 1255 H ILE 148 H ILE 148 36.633 16.756 7.182 1256 HA ILE 148 HA ILE 148 35.149 19.197 6.844 1257 HB ILE 148 HB ILE 148 36.695 17.936 9.128 1258 1HG1 ILE 148 1HG1 ILE 148 34.800 16.788 9.520 1259 2HG1 ILE 148 2HG1 ILE 148 33.910 18.291 9.676 1260 1HG2 ILE 148 1HG2 ILE 148 36.293 20.551 8.806 1261 2HG2 ILE 148 2HG2 ILE 148 34.779 20.122 9.598 1262 3HG2 ILE 148 3HG2 ILE 148 36.313 19.766 10.383 1263 1HD1 ILE 148 1HD1 ILE 148 33.600 18.292 7.196 1264 2HD1 ILE 148 2HD1 ILE 148 34.402 16.715 7.141 1265 3HD1 ILE 148 3HD1 ILE 148 32.868 16.896 7.996 1266 H ALA 149 H ALA 149 38.253 17.902 6.755 1267 HA ALA 149 HA ALA 149 39.847 20.371 6.898 1268 1HB ALA 149 1HB ALA 149 40.332 17.471 6.227 1269 2HB ALA 149 2HB ALA 149 41.538 18.690 5.805 1270 3HB ALA 149 3HB ALA 149 41.082 18.446 7.492 1271 H GLU 150 H GLU 150 37.689 19.059 4.846 1272 HA GLU 150 HA GLU 150 38.865 20.122 2.368 1273 1HB GLU 150 1HB GLU 150 37.948 18.289 1.473 1274 2HB GLU 150 2HB GLU 150 37.166 17.857 3.005 1275 1HG GLU 150 1HG GLU 150 35.291 19.314 2.504 1276 2HG GLU 150 2HG GLU 150 36.097 19.934 1.060 1277 H LYS 151 H LYS 151 36.444 20.466 4.839 1278 HA LYS 151 HA LYS 151 34.674 22.270 3.514 1279 1HB LYS 151 1HB LYS 151 35.438 21.535 6.298 1280 2HB LYS 151 2HB LYS 151 34.743 23.144 6.100 1281 1HG LYS 151 1HG LYS 151 33.229 21.013 6.498 1282 2HG LYS 151 2HG LYS 151 32.699 22.325 5.455 1283 1HD LYS 151 1HD LYS 151 34.322 20.244 4.123 1284 2HD LYS 151 2HD LYS 151 32.770 19.686 4.737 1285 1HE LYS 151 1HE LYS 151 32.176 22.145 3.568 1286 2HE LYS 151 2HE LYS 151 33.335 21.415 2.456 1287 1HZ LYS 151 2HZ LYS 151 31.870 19.321 2.825 1288 2HZ LYS 151 3HZ LYS 151 30.686 20.452 3.277 1289 3HZ LYS 151 1HZ LYS 151 31.374 20.520 1.728 1290 H LEU 152 H LEU 152 37.599 22.627 5.483 1291 HA LEU 152 HA LEU 152 37.992 25.370 4.451 1292 1HB LEU 152 1HB LEU 152 39.904 23.952 6.301 1293 2HB LEU 152 2HB LEU 152 39.559 25.670 6.182 1294 HG LEU 152 HG LEU 152 38.457 25.132 8.135 1295 1HD1 LEU 152 3HD1 LEU 152 36.895 25.778 6.040 1296 2HD1 LEU 152 1HD1 LEU 152 36.141 24.264 6.536 1297 3HD1 LEU 152 2HD1 LEU 152 36.285 25.593 7.684 1298 1HD2 LEU 152 2HD2 LEU 152 38.666 22.484 7.169 1299 2HD2 LEU 152 3HD2 LEU 152 38.184 23.007 8.786 1300 3HD2 LEU 152 1HD2 LEU 152 36.963 22.760 7.537 1301 H GLY 153 H GLY 153 39.041 22.050 4.102 1302 1HA GLY 153 1HA GLY 153 41.593 22.310 2.867 1303 2HA GLY 153 2HA GLY 153 40.407 21.054 2.483 1304 H GLY 154 H GLY 154 38.435 22.854 1.875 1305 1HA GLY 154 1HA GLY 154 39.033 23.361 -0.962 1306 2HA GLY 154 2HA GLY 154 37.448 23.523 -0.201 1307 H SER 155 H SER 155 38.505 25.145 2.000 1308 HA SER 155 HA SER 155 38.436 27.749 0.652 1309 1HB SER 155 1HB SER 155 37.776 26.759 3.232 1310 2HB SER 155 2HB SER 155 39.045 27.959 3.449 1311 HG SER 155 HG SER 155 37.683 29.457 2.885 1312 H LEU 156 H LEU 156 40.840 25.746 0.648 1313 HA LEU 156 HA LEU 156 43.152 25.963 0.480 1314 1HB LEU 156 1HB LEU 156 42.397 28.855 0.725 1315 2HB LEU 156 2HB LEU 156 44.036 28.293 0.412 1316 HG LEU 156 HG LEU 156 42.665 26.890 -1.469 1317 1HD1 LEU 156 1HD1 LEU 156 41.177 29.488 -1.008 1318 2HD1 LEU 156 2HD1 LEU 156 41.078 28.570 -2.511 1319 3HD1 LEU 156 3HD1 LEU 156 40.513 27.854 -1.002 1320 1HD2 LEU 156 2HD2 LEU 156 43.684 29.740 -1.720 1321 2HD2 LEU 156 3HD2 LEU 156 44.653 28.277 -1.886 1322 3HD2 LEU 156 1HD2 LEU 156 43.403 28.645 -3.073 1323 H ILE 157 H ILE 157 43.244 24.818 2.528 1324 HA ILE 157 HA ILE 157 43.966 26.710 4.651 1325 HB ILE 157 HB ILE 157 43.527 24.782 6.213 1326 1HG1 ILE 157 1HG1 ILE 157 42.123 23.701 3.752 1327 2HG1 ILE 157 2HG1 ILE 157 43.582 22.981 4.486 1328 1HG2 ILE 157 1HG2 ILE 157 41.919 26.727 5.112 1329 2HG2 ILE 157 2HG2 ILE 157 40.976 25.264 4.904 1330 3HG2 ILE 157 3HG2 ILE 157 41.515 25.729 6.507 1331 1HD1 ILE 157 3HD1 ILE 157 41.832 23.520 6.573 1332 2HD1 ILE 157 1HD1 ILE 157 40.855 22.756 5.289 1333 3HD1 ILE 157 2HD1 ILE 157 42.286 21.937 5.934 1334 H VAL 158 H VAL 158 45.179 24.312 6.095 1335 HA VAL 158 HA VAL 158 47.518 23.677 4.496 1336 HB VAL 158 HB VAL 158 47.497 25.858 6.521 1337 1HG1 VAL 158 2HG1 VAL 158 49.763 23.891 6.120 1338 2HG1 VAL 158 3HG1 VAL 158 49.956 25.466 6.892 1339 3HG1 VAL 158 1HG1 VAL 158 48.909 24.247 7.622 1340 1HG2 VAL 158 3HG2 VAL 158 48.938 25.249 3.932 1341 2HG2 VAL 158 1HG2 VAL 158 47.749 26.513 4.241 1342 3HG2 VAL 158 2HG2 VAL 158 49.359 26.627 4.949 1343 H ALA 159 H ALA 159 45.610 23.369 7.321 1344 HA ALA 159 HA ALA 159 47.000 20.902 8.072 1345 1HB ALA 159 2HB ALA 159 47.754 22.767 9.591 1346 2HB ALA 159 3HB ALA 159 46.066 22.978 10.061 1347 3HB ALA 159 1HB ALA 159 46.901 21.466 10.420 1348 H PHE 160 H PHE 160 45.635 19.374 8.781 1349 HA PHE 160 HA PHE 160 43.515 18.435 9.425 1350 1HB PHE 160 1HB PHE 160 42.763 21.001 9.737 1351 2HB PHE 160 2HB PHE 160 42.019 20.701 8.163 1352 HD1 PHE 160 HD1 PHE 160 42.588 18.358 11.009 1353 HD2 PHE 160 HD2 PHE 160 39.746 20.464 8.608 1354 HE1 PHE 160 HE1 PHE 160 40.746 17.097 12.091 1355 HE2 PHE 160 HE2 PHE 160 37.902 19.207 9.671 1356 HZ PHE 160 HZ PHE 160 38.391 17.526 11.424 1357 H GLU 161 H GLU 161 44.058 20.461 6.665 1358 HA GLU 161 HA GLU 161 43.362 18.248 4.811 1359 1HB GLU 161 1HB GLU 161 42.284 20.649 4.630 1360 2HB GLU 161 2HB GLU 161 43.847 21.094 3.959 1361 1HG GLU 161 1HG GLU 161 42.445 18.656 2.907 1362 2HG GLU 161 2HG GLU 161 41.941 20.248 2.349 1363 H GLY 162 H GLY 162 45.855 20.142 6.301 1364 1HA GLY 162 1HA GLY 162 47.758 19.281 4.152 1365 2HA GLY 162 2HA GLY 162 47.968 20.741 5.098 1366 H CYS 163 H CYS 163 48.574 20.438 7.443 1367 HA CYS 163 HA CYS 163 50.665 18.570 7.707 1368 1HB CYS 163 1HB CYS 163 49.445 20.584 9.422 1369 2HB CYS 163 2HB CYS 163 50.170 19.239 10.302 1370 HG CYS 163 HG CYS 163 51.798 20.888 8.197 1371 HA PRO 164 HA PRO 164 48.290 15.843 10.739 1372 1HB PRO 164 1HB PRO 164 45.695 16.558 11.332 1373 2HB PRO 164 2HB PRO 164 47.104 17.039 12.296 1374 1HG PRO 164 1HG PRO 164 45.503 18.640 10.350 1375 2HG PRO 164 2HG PRO 164 46.384 19.184 11.784 1376 1HD PRO 164 1HD PRO 164 47.351 19.492 9.170 1377 2HD PRO 164 2HD PRO 164 48.356 19.477 10.623 1378 H VAL 165 H VAL 165 46.214 17.340 8.268 1379 HA VAL 165 HA VAL 165 45.917 14.672 7.032 1380 HB VAL 165 HB VAL 165 43.255 15.605 7.044 1381 1HG1 VAL 165 3HG1 VAL 165 44.558 13.241 7.269 1382 2HG1 VAL 165 1HG1 VAL 165 43.979 13.447 8.922 1383 3HG1 VAL 165 2HG1 VAL 165 42.832 13.445 7.580 1384 1HG2 VAL 165 3HG2 VAL 165 44.276 16.826 9.187 1385 2HG2 VAL 165 1HG2 VAL 165 42.672 16.097 9.235 1386 3HG2 VAL 165 2HG2 VAL 165 44.056 15.231 9.903 No H/Q in entry = 1386 Start of MODEL 8 1 1H THR -8 2H THR -8 -0.354 10.760 17.467 2 2H THR -8 3H THR -8 1.044 10.622 18.417 3 3H THR -8 1H THR -8 0.205 12.097 18.356 4 HA THR -8 HA THR -8 1.566 12.731 16.749 5 HB THR -8 HB THR -8 3.199 11.144 15.754 6 HG1 THR -8 HG1 THR -8 1.670 9.280 17.241 7 1HG2 THR -8 3HG2 THR -8 2.776 11.533 18.647 8 2HG2 THR -8 1HG2 THR -8 3.861 10.206 18.236 9 3HG2 THR -8 2HG2 THR -8 4.210 11.839 17.668 10 H MET -7 H MET -7 0.844 13.341 14.786 11 HA MET -7 HA MET -7 -0.335 11.319 12.961 12 1HB MET -7 1HB MET -7 -2.021 12.823 14.466 13 2HB MET -7 2HB MET -7 -1.779 13.913 13.100 14 1HG MET -7 1HG MET -7 -2.151 11.567 11.780 15 2HG MET -7 2HG MET -7 -3.154 11.287 13.202 16 1HE MET -7 3HE MET -7 -4.197 11.169 10.500 17 2HE MET -7 1HE MET -7 -5.117 12.529 9.858 18 3HE MET -7 2HE MET -7 -3.360 12.474 9.662 19 H ILE -6 H ILE -6 -0.668 12.420 10.717 20 HA ILE -6 HA ILE -6 1.129 14.736 10.319 21 HB ILE -6 HB ILE -6 2.700 12.938 10.085 22 1HG1 ILE -6 1HG1 ILE -6 1.991 13.317 7.214 23 2HG1 ILE -6 2HG1 ILE -6 2.292 14.770 8.168 24 1HG2 ILE -6 1HG2 ILE -6 0.430 11.654 8.603 25 2HG2 ILE -6 2HG2 ILE -6 2.083 11.209 8.178 26 3HG2 ILE -6 3HG2 ILE -6 1.497 10.960 9.822 27 1HD1 ILE -6 2HD1 ILE -6 4.360 13.147 8.956 28 2HD1 ILE -6 3HD1 ILE -6 4.179 12.702 7.260 29 3HD1 ILE -6 1HD1 ILE -6 4.477 14.383 7.704 30 H THR -5 H THR -5 0.779 15.803 8.336 31 HA THR -5 HA THR -5 -1.602 14.854 6.805 32 HB THR -5 HB THR -5 -2.402 17.088 6.638 33 HG1 THR -5 HG1 THR -5 -0.478 18.395 8.009 34 1HG2 THR -5 1HG2 THR -5 -1.339 16.405 9.369 35 2HG2 THR -5 2HG2 THR -5 -2.206 17.918 9.103 36 3HG2 THR -5 3HG2 THR -5 -3.006 16.379 8.789 37 HA PRO -4 HA PRO -4 1.517 15.084 3.608 38 1HB PRO -4 1HB PRO -4 -0.048 13.947 1.655 39 2HB PRO -4 2HB PRO -4 0.798 13.015 2.902 40 1HG PRO -4 1HG PRO -4 -2.107 13.650 2.680 41 2HG PRO -4 2HG PRO -4 -1.315 12.281 3.479 42 1HD PRO -4 1HD PRO -4 -2.364 14.576 4.761 43 2HD PRO -4 2HD PRO -4 -1.294 13.364 5.499 44 H SER -3 H SER -3 0.934 17.553 3.841 45 HA SER -3 HA SER -3 0.564 18.689 1.288 46 1HB SER -3 1HB SER -3 -1.719 19.658 1.513 47 2HB SER -3 2HB SER -3 -1.753 17.900 1.414 48 HG SER -3 HG SER -3 -2.811 19.361 3.269 49 H SER -2 H SER -2 2.376 19.344 3.116 50 HA SER -2 HA SER -2 1.617 22.093 3.860 51 1HB SER -2 1HB SER -2 1.407 21.726 6.069 52 2HB SER -2 2HB SER -2 1.574 19.997 5.778 53 HG SER -2 HG SER -2 3.316 20.319 6.950 54 H GLY -1 H GLY -1 3.727 23.068 5.052 55 1HA GLY -1 1HA GLY -1 5.938 22.527 3.163 56 2HA GLY -1 2HA GLY -1 5.838 23.897 4.271 57 H ASN 0 H ASN 0 5.154 22.188 6.571 58 HA ASN 0 HA ASN 0 7.893 21.078 7.059 59 1HB ASN 0 1HB ASN 0 6.087 21.443 9.365 60 2HB ASN 0 2HB ASN 0 7.774 21.926 9.159 61 1HD2 ASN 0 2HD2 ASN 0 6.817 25.025 7.450 62 2HD2 ASN 0 1HD2 ASN 0 7.906 23.739 7.243 63 H SER 1 H SER 1 5.074 19.930 5.999 64 HA SER 1 HA SER 1 4.612 17.688 7.779 65 1HB SER 1 1HB SER 1 2.960 17.269 6.269 66 2HB SER 1 2HB SER 1 3.545 18.619 5.298 67 HG SER 1 HG SER 1 3.742 15.960 4.862 68 H ALA 2 H ALA 2 6.775 18.598 5.253 69 HA ALA 2 HA ALA 2 8.462 16.178 5.701 70 1HB ALA 2 3HB ALA 2 7.343 17.188 3.229 71 2HB ALA 2 1HB ALA 2 9.099 17.350 3.185 72 3HB ALA 2 2HB ALA 2 8.364 15.771 3.468 73 H SER 3 H SER 3 8.335 18.662 7.093 74 HA SER 3 HA SER 3 11.071 19.502 7.153 75 1HB SER 3 1HB SER 3 9.437 21.829 6.344 76 2HB SER 3 2HB SER 3 11.115 21.442 5.967 77 HG SER 3 HG SER 3 9.858 21.257 4.109 78 H GLY 4 H GLY 4 8.813 18.670 8.877 79 1HA GLY 4 1HA GLY 4 7.584 20.644 10.387 80 2HA GLY 4 2HA GLY 4 8.149 19.130 11.063 81 H VAL 5 H VAL 5 9.176 22.492 10.395 82 HA VAL 5 HA VAL 5 10.811 22.282 12.791 83 HB VAL 5 HB VAL 5 12.238 23.797 10.805 84 1HG1 VAL 5 1HG1 VAL 5 12.676 22.093 13.095 85 2HG1 VAL 5 2HG1 VAL 5 13.825 21.741 11.801 86 3HG1 VAL 5 3HG1 VAL 5 13.692 23.377 12.443 87 1HG2 VAL 5 2HG2 VAL 5 11.561 20.921 10.259 88 2HG2 VAL 5 3HG2 VAL 5 11.710 22.260 9.123 89 3HG2 VAL 5 1HG2 VAL 5 13.155 21.528 9.818 90 H GLN 6 H GLN 6 11.196 24.222 13.785 91 HA GLN 6 HA GLN 6 9.925 26.611 12.636 92 1HB GLN 6 1HB GLN 6 9.706 26.754 15.433 93 2HB GLN 6 2HB GLN 6 8.394 26.525 14.275 94 1HG GLN 6 1HG GLN 6 10.022 24.130 14.899 95 2HG GLN 6 2HG GLN 6 8.992 24.725 16.193 96 1HE2 GLN 6 2HE2 GLN 6 7.312 22.741 13.133 97 2HE2 GLN 6 1HE2 GLN 6 8.987 22.811 13.377 98 H VAL 7 H VAL 7 12.843 25.472 13.275 99 HA VAL 7 HA VAL 7 14.897 26.395 14.031 100 HB VAL 7 HB VAL 7 13.451 29.021 13.733 101 1HG1 VAL 7 3HG1 VAL 7 15.950 28.691 14.598 102 2HG1 VAL 7 1HG1 VAL 7 16.281 28.443 12.885 103 3HG1 VAL 7 2HG1 VAL 7 15.584 29.964 13.435 104 1HG2 VAL 7 2HG2 VAL 7 13.516 27.071 11.774 105 2HG2 VAL 7 3HG2 VAL 7 13.301 28.797 11.488 106 3HG2 VAL 7 1HG2 VAL 7 14.909 28.079 11.376 107 H ALA 8 H ALA 8 15.803 27.518 15.858 108 HA ALA 8 HA ALA 8 13.852 27.628 18.105 109 1HB ALA 8 2HB ALA 8 16.023 25.967 17.550 110 2HB ALA 8 3HB ALA 8 16.635 27.082 18.789 111 3HB ALA 8 1HB ALA 8 15.189 26.109 19.108 112 H ASP 9 H ASP 9 16.147 29.354 16.291 113 HA ASP 9 HA ASP 9 16.767 31.639 16.505 114 1HB ASP 9 1HB ASP 9 16.051 31.518 19.420 115 2HB ASP 9 2HB ASP 9 16.204 32.929 18.379 116 H GLU 10 H GLU 10 17.320 29.325 19.090 117 HA GLU 10 HA GLU 10 19.866 30.275 19.905 118 1HB GLU 10 1HB GLU 10 19.090 28.705 21.413 119 2HB GLU 10 2HB GLU 10 18.229 27.801 20.173 120 1HG GLU 10 1HG GLU 10 19.957 26.347 20.784 121 2HG GLU 10 2HG GLU 10 20.580 27.129 19.336 122 H VAL 11 H VAL 11 18.636 28.831 17.015 123 HA VAL 11 HA VAL 11 21.062 27.500 16.171 124 HB VAL 11 HB VAL 11 19.905 26.976 14.314 125 1HG1 VAL 11 1HG1 VAL 11 18.102 27.020 16.098 126 2HG1 VAL 11 2HG1 VAL 11 17.621 28.586 15.444 127 3HG1 VAL 11 3HG1 VAL 11 17.524 27.143 14.434 128 1HG2 VAL 11 2HG2 VAL 11 19.201 29.907 14.100 129 2HG2 VAL 11 3HG2 VAL 11 20.545 29.090 13.295 130 3HG2 VAL 11 1HG2 VAL 11 18.882 28.697 12.856 131 H CYS 12 H CYS 12 19.722 30.703 15.919 132 HA CYS 12 HA CYS 12 22.045 31.704 14.387 133 1HB CYS 12 1HB CYS 12 19.616 32.638 14.370 134 2HB CYS 12 2HB CYS 12 20.054 33.384 15.908 135 HG CYS 12 HG CYS 12 20.733 35.128 14.131 136 H ARG 13 H ARG 13 22.137 30.411 17.177 137 HA ARG 13 HA ARG 13 23.761 32.541 18.485 138 1HB ARG 13 1HB ARG 13 21.869 30.509 19.680 139 2HB ARG 13 2HB ARG 13 23.218 31.156 20.617 140 1HG ARG 13 1HG ARG 13 21.560 33.158 19.187 141 2HG ARG 13 2HG ARG 13 20.780 32.336 20.541 142 1HD ARG 13 1HD ARG 13 23.193 32.871 21.651 143 2HD ARG 13 2HD ARG 13 23.060 34.237 20.544 144 HE ARG 13 HE ARG 13 20.607 34.216 21.797 145 1HH1 ARG 13 1HH1 ARG 13 23.929 34.368 22.712 146 2HH1 ARG 13 2HH1 ARG 13 23.608 35.092 24.252 147 1HH2 ARG 13 1HH2 ARG 13 20.162 35.050 23.854 148 2HH2 ARG 13 2HH2 ARG 13 21.475 35.479 24.899 149 H ILE 14 H ILE 14 23.802 29.872 16.701 150 HA ILE 14 HA ILE 14 26.049 28.623 18.153 151 HB ILE 14 HB ILE 14 24.914 27.398 15.730 152 1HG1 ILE 14 1HG1 ILE 14 23.370 27.003 18.246 153 2HG1 ILE 14 2HG1 ILE 14 22.935 28.269 17.089 154 1HG2 ILE 14 2HG2 ILE 14 26.116 26.682 18.319 155 2HG2 ILE 14 3HG2 ILE 14 24.995 25.493 17.614 156 3HG2 ILE 14 1HG2 ILE 14 26.434 26.022 16.723 157 1HD1 ILE 14 2HD1 ILE 14 23.454 25.429 16.202 158 2HD1 ILE 14 3HD1 ILE 14 21.849 25.966 16.688 159 3HD1 ILE 14 1HD1 ILE 14 22.647 26.719 15.311 160 H PHE 15 H PHE 15 24.981 28.939 14.827 161 HA PHE 15 HA PHE 15 27.543 29.116 13.616 162 1HB PHE 15 1HB PHE 15 26.126 29.204 11.822 163 2HB PHE 15 2HB PHE 15 24.763 29.581 12.889 164 HD1 PHE 15 HD1 PHE 15 24.397 31.957 13.628 165 HD2 PHE 15 HD2 PHE 15 27.161 30.885 10.538 166 HE1 PHE 15 HE1 PHE 15 24.418 34.303 12.850 167 HE2 PHE 15 HE2 PHE 15 27.186 33.239 9.737 168 HZ PHE 15 HZ PHE 15 25.813 34.953 10.897 169 H TYR 16 H TYR 16 25.517 31.220 15.416 170 HA TYR 16 HA TYR 16 26.713 33.754 14.888 171 1HB TYR 16 1HB TYR 16 24.695 34.124 15.866 172 2HB TYR 16 2HB TYR 16 24.697 32.518 16.621 173 HD1 TYR 16 HD2 TYR 16 26.081 32.126 18.661 174 HD2 TYR 16 HD1 TYR 16 25.353 36.060 17.137 175 HE1 TYR 16 HE2 TYR 16 26.779 33.054 20.812 176 HE2 TYR 16 HE1 TYR 16 26.048 37.025 19.318 177 HH TYR 16 HH TYR 16 27.801 35.574 21.485 178 H ASP 17 H ASP 17 27.277 31.172 17.319 179 HA ASP 17 HA ASP 17 29.035 33.007 18.841 180 1HB ASP 17 1HB ASP 17 27.652 31.415 20.070 181 2HB ASP 17 2HB ASP 17 28.369 30.066 19.195 182 H MET 18 H MET 18 29.690 29.710 18.016 183 HA MET 18 HA MET 18 32.423 29.752 17.788 184 1HB MET 18 1HB MET 18 32.048 27.996 15.989 185 2HB MET 18 2HB MET 18 31.340 27.738 17.576 186 1HG MET 18 1HG MET 18 29.525 29.306 15.969 187 2HG MET 18 2HG MET 18 29.946 27.820 15.119 188 1HE MET 18 3HE MET 18 30.745 26.137 16.389 189 2HE MET 18 1HE MET 18 30.590 26.036 18.155 190 3HE MET 18 2HE MET 18 29.532 25.076 17.101 191 H LYS 19 H LYS 19 30.107 31.160 15.587 192 HA LYS 19 HA LYS 19 30.922 31.522 13.130 193 1HB LYS 19 1HB LYS 19 29.654 33.224 14.844 194 2HB LYS 19 2HB LYS 19 31.089 34.158 14.429 195 1HG LYS 19 1HG LYS 19 30.387 34.507 12.311 196 2HG LYS 19 2HG LYS 19 29.872 32.829 12.118 197 1HD LYS 19 1HD LYS 19 27.731 33.336 12.595 198 2HD LYS 19 2HD LYS 19 28.208 34.256 14.020 199 1HE LYS 19 1HE LYS 19 28.257 35.274 11.166 200 2HE LYS 19 2HE LYS 19 27.089 35.731 12.407 201 1HZ LYS 19 1HZ LYS 19 29.817 36.025 13.248 202 2HZ LYS 19 2HZ LYS 19 29.432 36.994 11.911 203 3HZ LYS 19 3HZ LYS 19 28.527 37.127 13.343 204 H VAL 20 H VAL 20 32.574 33.704 15.362 205 HA VAL 20 HA VAL 20 35.169 33.027 14.119 206 HB VAL 20 HB VAL 20 34.231 34.967 12.949 207 1HG1 VAL 20 1HG1 VAL 20 33.271 35.626 15.530 208 2HG1 VAL 20 2HG1 VAL 20 34.335 36.938 15.020 209 3HG1 VAL 20 3HG1 VAL 20 32.967 36.469 14.010 210 1HG2 VAL 20 1HG2 VAL 20 36.736 34.867 14.256 211 2HG2 VAL 20 2HG2 VAL 20 36.315 35.815 12.829 212 3HG2 VAL 20 3HG2 VAL 20 36.156 36.522 14.437 213 H ARG 21 H ARG 21 35.445 35.755 16.027 214 HA ARG 21 HA ARG 21 36.514 34.196 18.234 215 1HB ARG 21 1HB ARG 21 36.150 37.181 17.848 216 2HB ARG 21 2HB ARG 21 36.944 36.453 19.245 217 1HG ARG 21 1HG ARG 21 37.810 36.249 16.348 218 2HG ARG 21 2HG ARG 21 38.662 37.069 17.658 219 1HD ARG 21 1HD ARG 21 38.548 34.688 18.801 220 2HD ARG 21 2HD ARG 21 38.369 34.133 17.136 221 HE ARG 21 HE ARG 21 40.588 34.956 16.663 222 1HH1 ARG 21 1HH1 ARG 21 39.873 36.958 19.152 223 2HH1 ARG 21 2HH1 ARG 21 41.289 36.644 20.100 224 1HH2 ARG 21 1HH2 ARG 21 42.292 33.926 18.197 225 2HH2 ARG 21 2HH2 ARG 21 42.655 34.931 19.561 226 H LYS 22 H LYS 22 34.507 37.039 18.722 227 HA LYS 22 HA LYS 22 32.708 37.360 20.199 228 1HB LYS 22 1HB LYS 22 32.044 34.758 18.810 229 2HB LYS 22 2HB LYS 22 30.956 35.464 20.006 230 1HG LYS 22 1HG LYS 22 31.061 37.621 18.660 231 2HG LYS 22 2HG LYS 22 31.880 36.699 17.400 232 1HD LYS 22 1HD LYS 22 29.967 35.674 16.744 233 2HD LYS 22 2HD LYS 22 29.430 35.419 18.406 234 1HE LYS 22 1HE LYS 22 28.091 37.230 18.326 235 2HE LYS 22 2HE LYS 22 29.411 38.242 17.735 236 1HZ LYS 22 1HZ LYS 22 28.147 36.339 15.895 237 2HZ LYS 22 2HZ LYS 22 27.334 37.785 16.257 238 3HZ LYS 22 3HZ LYS 22 28.885 37.829 15.564 239 H CYS 23 H CYS 23 35.176 35.805 21.087 240 HA CYS 23 HA CYS 23 33.922 34.354 23.388 241 1HB CYS 23 1HB CYS 23 36.619 33.686 23.366 242 2HB CYS 23 2HB CYS 23 35.266 32.669 22.896 243 HG CYS 23 HG CYS 23 35.841 32.993 20.473 244 H SER 24 H SER 24 33.672 36.417 24.509 245 HA SER 24 HA SER 24 34.992 38.493 25.355 246 1HB SER 24 1HB SER 24 33.801 36.333 26.816 247 2HB SER 24 2HB SER 24 35.236 36.865 27.699 248 HG SER 24 HG SER 24 33.890 38.366 28.378 249 H THR 25 H THR 25 36.069 35.572 26.629 250 HA THR 25 HA THR 25 38.870 35.939 25.873 251 HB THR 25 HB THR 25 38.293 36.704 28.373 252 HG1 THR 25 HG1 THR 25 40.385 35.860 27.166 253 1HG2 THR 25 1HG2 THR 25 36.991 34.674 28.814 254 2HG2 THR 25 2HG2 THR 25 38.440 33.700 28.520 255 3HG2 THR 25 3HG2 THR 25 38.381 34.799 29.907 256 HA PRO 26 HA PRO 26 37.069 32.137 24.674 257 1HB PRO 26 1HB PRO 26 39.280 31.186 23.283 258 2HB PRO 26 2HB PRO 26 38.112 32.354 22.640 259 1HG PRO 26 1HG PRO 26 40.868 32.831 23.700 260 2HG PRO 26 2HG PRO 26 39.963 33.740 22.474 261 1HD PRO 26 1HD PRO 26 40.277 34.534 25.163 262 2HD PRO 26 2HD PRO 26 39.032 35.143 24.053 263 H GLU 27 H GLU 27 39.563 32.541 26.856 264 HA GLU 27 HA GLU 27 40.479 29.800 27.236 265 1HB GLU 27 1HB GLU 27 40.565 32.276 28.954 266 2HB GLU 27 2HB GLU 27 41.373 30.767 29.377 267 1HG GLU 27 1HG GLU 27 42.887 30.925 27.572 268 2HG GLU 27 2HG GLU 27 41.868 32.075 26.705 269 H GLU 28 H GLU 28 37.534 31.069 27.691 270 HA GLU 28 HA GLU 28 36.845 29.142 29.822 271 1HB GLU 28 1HB GLU 28 35.581 30.753 31.086 272 2HB GLU 28 2HB GLU 28 37.161 31.485 30.812 273 1HG GLU 28 1HG GLU 28 36.250 32.706 28.864 274 2HG GLU 28 2HG GLU 28 34.661 32.006 29.182 275 H ILE 29 H ILE 29 36.116 31.202 27.217 276 HA ILE 29 HA ILE 29 33.550 30.931 26.473 277 HB ILE 29 HB ILE 29 36.156 31.315 25.456 278 1HG1 ILE 29 1HG1 ILE 29 35.172 33.306 24.669 279 2HG1 ILE 29 2HG1 ILE 29 33.558 32.605 24.601 280 1HG2 ILE 29 2HG2 ILE 29 33.987 30.120 23.814 281 2HG2 ILE 29 3HG2 ILE 29 35.350 30.992 23.103 282 3HG2 ILE 29 1HG2 ILE 29 35.646 29.556 24.072 283 1HD1 ILE 29 1HD1 ILE 29 35.099 32.796 27.158 284 2HD1 ILE 29 2HD1 ILE 29 34.203 34.190 26.557 285 3HD1 ILE 29 3HD1 ILE 29 33.350 32.694 26.940 286 H LYS 30 H LYS 30 36.187 28.598 26.216 287 HA LYS 30 HA LYS 30 35.024 26.776 24.392 288 1HB LYS 30 1HB LYS 30 36.505 25.453 26.547 289 2HB LYS 30 2HB LYS 30 36.863 25.490 24.837 290 1HG LYS 30 1HG LYS 30 37.922 27.696 25.098 291 2HG LYS 30 2HG LYS 30 37.544 27.659 26.826 292 1HD LYS 30 1HD LYS 30 39.068 25.967 27.273 293 2HD LYS 30 2HD LYS 30 39.023 25.348 25.624 294 1HE LYS 30 1HE LYS 30 40.593 26.838 24.877 295 2HE LYS 30 2HE LYS 30 40.055 28.114 25.971 296 1HZ LYS 30 3HZ LYS 30 41.491 25.675 26.860 297 2HZ LYS 30 1HZ LYS 30 42.263 27.148 26.525 298 3HZ LYS 30 2HZ LYS 30 41.131 27.052 27.788 299 H LYS 31 H LYS 31 34.441 27.482 27.644 300 HA LYS 31 HA LYS 31 32.707 25.078 28.030 301 1HB LYS 31 1HB LYS 31 34.538 25.890 29.732 302 2HB LYS 31 2HB LYS 31 33.323 27.086 30.185 303 1HG LYS 31 1HG LYS 31 32.475 25.488 31.541 304 2HG LYS 31 2HG LYS 31 31.867 24.730 30.068 305 1HD LYS 31 1HD LYS 31 33.805 23.320 29.895 306 2HD LYS 31 2HD LYS 31 34.639 24.211 31.168 307 1HE LYS 31 1HE LYS 31 32.305 23.474 32.422 308 2HE LYS 31 2HE LYS 31 32.625 22.083 31.387 309 1HZ LYS 31 1HZ LYS 31 35.036 22.927 32.547 310 2HZ LYS 31 2HZ LYS 31 33.881 22.764 33.782 311 3HZ LYS 31 3HZ LYS 31 34.222 21.451 32.763 312 H ARG 32 H ARG 32 32.138 27.538 26.435 313 HA ARG 32 HA ARG 32 29.815 28.611 27.931 314 1HB ARG 32 1HB ARG 32 31.511 29.692 25.694 315 2HB ARG 32 2HB ARG 32 29.872 30.300 25.925 316 1HG ARG 32 1HG ARG 32 31.445 31.723 27.150 317 2HG ARG 32 2HG ARG 32 30.433 30.844 28.294 318 1HD ARG 32 1HD ARG 32 32.808 29.308 27.611 319 2HD ARG 32 2HD ARG 32 33.258 30.894 28.248 320 HE ARG 32 HE ARG 32 31.720 28.814 29.721 321 1HH1 ARG 32 1HH2 ARG 32 32.503 32.136 29.531 322 2HH1 ARG 32 2HH2 ARG 32 32.785 32.316 31.230 323 1HH2 ARG 32 1HH1 ARG 32 32.361 28.943 31.925 324 2HH2 ARG 32 2HH1 ARG 32 32.705 30.506 32.587 325 H LYS 33 H LYS 33 30.580 26.334 25.697 326 HA LYS 33 HA LYS 33 29.182 24.924 24.427 327 1HB LYS 33 1HB LYS 33 27.470 25.684 26.217 328 2HB LYS 33 2HB LYS 33 26.870 26.767 24.961 329 1HG LYS 33 1HG LYS 33 26.727 24.743 23.434 330 2HG LYS 33 2HG LYS 33 27.051 23.746 24.853 331 1HD LYS 33 1HD LYS 33 24.723 23.775 24.848 332 2HD LYS 33 2HD LYS 33 25.080 25.134 25.913 333 1HE LYS 33 1HE LYS 33 25.114 26.070 23.202 334 2HE LYS 33 2HE LYS 33 23.617 25.175 23.474 335 1HZ LYS 33 3HZ LYS 33 23.970 26.654 25.746 336 2HZ LYS 33 1HZ LYS 33 24.412 27.714 24.494 337 3HZ LYS 33 2HZ LYS 33 22.877 26.984 24.494 338 H LYS 34 H LYS 34 29.650 25.061 22.302 339 HA LYS 34 HA LYS 34 28.265 27.112 20.719 340 1HB LYS 34 1HB LYS 34 30.604 27.361 19.461 341 2HB LYS 34 2HB LYS 34 30.178 28.399 20.818 342 1HG LYS 34 1HG LYS 34 31.335 26.794 22.343 343 2HG LYS 34 2HG LYS 34 31.862 25.886 20.925 344 1HD LYS 34 1HD LYS 34 33.611 27.287 20.734 345 2HD LYS 34 2HD LYS 34 32.478 28.593 20.398 346 1HE LYS 34 1HE LYS 34 33.219 27.709 23.197 347 2HE LYS 34 2HE LYS 34 34.018 29.031 22.344 348 1HZ LYS 34 1HZ LYS 34 31.081 28.941 22.679 349 2HZ LYS 34 2HZ LYS 34 32.087 29.622 23.860 350 3HZ LYS 34 3HZ LYS 34 32.059 30.276 22.293 351 H ALA 35 H ALA 35 30.485 24.287 20.696 352 HA ALA 35 HA ALA 35 29.735 23.573 18.023 353 1HB ALA 35 3HB ALA 35 31.499 22.537 20.117 354 2HB ALA 35 1HB ALA 35 30.694 21.266 19.176 355 3HB ALA 35 2HB ALA 35 31.693 22.486 18.371 356 H VAL 36 H VAL 36 28.221 22.044 17.559 357 HA VAL 36 HA VAL 36 26.638 20.822 19.684 358 HB VAL 36 HB VAL 36 24.671 22.243 18.857 359 1HG1 VAL 36 3HG1 VAL 36 26.119 22.582 21.065 360 2HG1 VAL 36 1HG1 VAL 36 26.626 24.037 20.211 361 3HG1 VAL 36 2HG1 VAL 36 24.921 23.778 20.574 362 1HG2 VAL 36 2HG2 VAL 36 26.566 23.008 17.079 363 2HG2 VAL 36 3HG2 VAL 36 25.054 23.847 17.372 364 3HG2 VAL 36 1HG2 VAL 36 26.532 24.372 18.192 365 H ILE 37 H ILE 37 24.581 20.113 18.836 366 HA ILE 37 HA ILE 37 24.486 19.551 15.947 367 HB ILE 37 HB ILE 37 23.999 17.787 18.349 368 1HG1 ILE 37 1HG1 ILE 37 24.547 16.336 15.976 369 2HG1 ILE 37 2HG1 ILE 37 25.621 17.733 15.968 370 1HG2 ILE 37 3HG2 ILE 37 22.455 17.730 15.753 371 2HG2 ILE 37 1HG2 ILE 37 22.472 16.400 16.925 372 3HG2 ILE 37 2HG2 ILE 37 21.812 17.973 17.386 373 1HD1 ILE 37 2HD1 ILE 37 25.842 16.940 18.569 374 2HD1 ILE 37 3HD1 ILE 37 25.603 15.374 17.782 375 3HD1 ILE 37 1HD1 ILE 37 26.949 16.422 17.304 376 H PHE 38 H PHE 38 21.775 19.261 15.769 377 HA PHE 38 HA PHE 38 20.335 20.787 17.744 378 1HB PHE 38 1HB PHE 38 21.250 22.025 15.171 379 2HB PHE 38 2HB PHE 38 19.558 22.285 15.591 380 HD1 PHE 38 HD2 PHE 38 23.094 22.747 16.899 381 HD2 PHE 38 HD1 PHE 38 18.954 23.906 17.281 382 HE1 PHE 38 HE2 PHE 38 23.713 24.479 18.529 383 HE2 PHE 38 HE1 PHE 38 19.599 25.645 18.883 384 HZ PHE 38 HZ PHE 38 21.985 25.932 19.526 385 H CYS 39 H CYS 39 17.873 20.250 17.294 386 HA CYS 39 HA CYS 39 17.417 18.875 14.757 387 1HB CYS 39 1HB CYS 39 17.129 16.557 15.738 388 2HB CYS 39 2HB CYS 39 18.779 17.136 15.533 389 HG CYS 39 HG CYS 39 19.123 17.082 17.988 390 H LEU 40 H LEU 40 15.529 20.399 15.361 391 HA LEU 40 HA LEU 40 13.178 20.404 15.814 392 1HB LEU 40 1HB LEU 40 13.639 17.423 15.686 393 2HB LEU 40 2HB LEU 40 12.140 18.252 15.324 394 HG LEU 40 HG LEU 40 14.642 18.057 13.708 395 1HD1 LEU 40 2HD1 LEU 40 11.708 17.715 13.380 396 2HD1 LEU 40 3HD1 LEU 40 12.573 18.346 11.978 397 3HD1 LEU 40 1HD1 LEU 40 13.035 16.792 12.675 398 1HD2 LEU 40 1HD2 LEU 40 12.933 20.500 14.001 399 2HD2 LEU 40 2HD2 LEU 40 14.670 20.379 13.719 400 3HD2 LEU 40 3HD2 LEU 40 13.537 20.075 12.400 401 H SER 41 H SER 41 11.836 20.408 17.571 402 HA SER 41 HA SER 41 12.947 19.962 20.158 403 1HB SER 41 1HB SER 41 10.771 21.353 19.085 404 2HB SER 41 2HB SER 41 10.078 20.205 20.225 405 HG SER 41 HG SER 41 11.997 22.231 20.653 406 H ALA 42 H ALA 42 11.336 18.819 21.866 407 HA ALA 42 HA ALA 42 11.549 16.034 21.550 408 1HB ALA 42 3HB ALA 42 10.667 17.635 23.568 409 2HB ALA 42 1HB ALA 42 9.131 16.980 23.000 410 3HB ALA 42 2HB ALA 42 10.408 15.890 23.542 411 H ASP 43 H ASP 43 10.570 14.708 20.141 412 HA ASP 43 HA ASP 43 8.772 13.799 18.847 413 1HB ASP 43 1HB ASP 43 7.310 15.594 20.309 414 2HB ASP 43 2HB ASP 43 7.251 16.351 18.716 415 H LYS 44 H LYS 44 9.493 17.259 18.516 416 HA LYS 44 HA LYS 44 11.252 17.681 16.721 417 1HB LYS 44 1HB LYS 44 9.141 16.185 15.211 418 2HB LYS 44 2HB LYS 44 10.083 17.409 14.378 419 1HG LYS 44 1HG LYS 44 10.831 14.763 14.679 420 2HG LYS 44 2HG LYS 44 11.909 16.077 14.256 421 1HD LYS 44 1HD LYS 44 13.055 15.843 16.190 422 2HD LYS 44 2HD LYS 44 11.581 15.921 17.151 423 1HE LYS 44 1HE LYS 44 11.170 13.494 16.412 424 2HE LYS 44 2HE LYS 44 12.852 13.505 15.883 425 1HZ LYS 44 1HZ LYS 44 13.483 14.205 18.135 426 2HZ LYS 44 2HZ LYS 44 11.861 14.067 18.624 427 3HZ LYS 44 3HZ LYS 44 12.715 12.690 18.123 428 H LYS 45 H LYS 45 11.238 19.575 15.594 429 HA LYS 45 HA LYS 45 9.687 21.379 14.579 430 1HB LYS 45 1HB LYS 45 8.813 21.061 17.410 431 2HB LYS 45 2HB LYS 45 8.753 22.649 16.596 432 1HG LYS 45 1HG LYS 45 7.127 21.956 15.084 433 2HG LYS 45 2HG LYS 45 7.629 20.266 15.175 434 1HD LYS 45 1HD LYS 45 6.737 20.272 17.568 435 2HD LYS 45 2HD LYS 45 6.001 21.830 17.189 436 1HE LYS 45 1HE LYS 45 5.558 19.403 15.451 437 2HE LYS 45 2HE LYS 45 4.532 19.750 16.843 438 1HZ LYS 45 3HZ LYS 45 4.719 22.130 15.515 439 2HZ LYS 45 1HZ LYS 45 4.575 20.985 14.270 440 3HZ LYS 45 2HZ LYS 45 3.394 21.073 15.488 441 H CYS 46 H CYS 46 11.400 22.577 14.243 442 HA CYS 46 HA CYS 46 12.591 24.583 14.824 443 1HB CYS 46 1HB CYS 46 12.840 23.213 17.536 444 2HB CYS 46 2HB CYS 46 13.708 24.688 17.089 445 HG CYS 46 HG CYS 46 10.903 24.660 18.077 446 H ILE 47 H ILE 47 14.898 24.831 14.825 447 HA ILE 47 HA ILE 47 16.293 22.608 13.683 448 HB ILE 47 HB ILE 47 16.615 25.368 13.962 449 1HG1 ILE 47 1HG1 ILE 47 18.407 25.149 12.461 450 2HG1 ILE 47 2HG1 ILE 47 18.827 23.535 13.045 451 1HG2 ILE 47 2HG2 ILE 47 18.693 23.892 15.541 452 2HG2 ILE 47 3HG2 ILE 47 18.954 25.501 14.875 453 3HG2 ILE 47 1HG2 ILE 47 17.662 25.227 16.063 454 1HD1 ILE 47 2HD1 ILE 47 16.062 23.683 12.151 455 2HD1 ILE 47 3HD1 ILE 47 17.194 24.169 10.875 456 3HD1 ILE 47 1HD1 ILE 47 17.363 22.570 11.647 457 H ILE 48 H ILE 48 15.531 23.693 16.784 458 HA ILE 48 HA ILE 48 16.093 23.277 18.904 459 HB ILE 48 HB ILE 48 14.988 20.998 17.589 460 1HG1 ILE 48 1HG1 ILE 48 14.335 22.947 19.391 461 2HG1 ILE 48 2HG1 ILE 48 13.375 21.504 19.108 462 1HG2 ILE 48 3HG2 ILE 48 16.733 20.529 20.001 463 2HG2 ILE 48 1HG2 ILE 48 15.353 19.515 19.626 464 3HG2 ILE 48 2HG2 ILE 48 16.704 19.607 18.503 465 1HD1 ILE 48 3HD1 ILE 48 15.640 21.663 21.093 466 2HD1 ILE 48 1HD1 ILE 48 13.942 21.862 21.527 467 3HD1 ILE 48 2HD1 ILE 48 14.523 20.323 20.889 468 H VAL 49 H VAL 49 17.208 22.341 20.405 469 HA VAL 49 HA VAL 49 19.839 22.858 20.349 470 HB VAL 49 HB VAL 49 18.269 21.076 22.138 471 1HG1 VAL 49 1HG1 VAL 49 21.117 21.597 22.010 472 2HG1 VAL 49 2HG1 VAL 49 20.428 22.145 23.541 473 3HG1 VAL 49 3HG1 VAL 49 20.230 20.464 23.032 474 1HG2 VAL 49 1HG2 VAL 49 17.769 23.569 21.666 475 2HG2 VAL 49 2HG2 VAL 49 17.934 23.080 23.361 476 3HG2 VAL 49 3HG2 VAL 49 19.270 23.898 22.542 477 H GLU 50 H GLU 50 19.076 19.378 20.773 478 HA GLU 50 HA GLU 50 20.661 18.352 18.775 479 1HB GLU 50 1HB GLU 50 22.853 17.956 20.077 480 2HB GLU 50 2HB GLU 50 22.611 19.567 19.425 481 1HG GLU 50 1HG GLU 50 21.389 19.627 21.937 482 2HG GLU 50 2HG GLU 50 22.875 18.734 22.191 483 H GLU 51 H GLU 51 18.545 17.726 20.747 484 HA GLU 51 HA GLU 51 17.830 15.848 21.995 485 1HB GLU 51 1HB GLU 51 18.116 13.910 20.623 486 2HB GLU 51 2HB GLU 51 17.963 15.328 19.596 487 1HG GLU 51 1HG GLU 51 20.219 15.392 19.079 488 2HG GLU 51 2HG GLU 51 20.654 14.334 20.422 489 H GLY 52 H GLY 52 20.642 16.820 22.669 490 1HA GLY 52 1HA GLY 52 21.821 16.093 24.683 491 2HA GLY 52 2HA GLY 52 21.379 14.438 24.284 492 H LYS 53 H LYS 53 23.003 16.967 22.322 493 HA LYS 53 HA LYS 53 25.363 15.159 22.091 494 1HB LYS 53 1HB LYS 53 24.462 16.969 19.860 495 2HB LYS 53 2HB LYS 53 25.450 15.522 19.755 496 1HG LYS 53 1HG LYS 53 22.800 14.930 20.810 497 2HG LYS 53 2HG LYS 53 22.712 15.702 19.227 498 1HD LYS 53 1HD LYS 53 22.877 13.303 18.903 499 2HD LYS 53 2HD LYS 53 24.404 14.034 18.395 500 1HE LYS 53 1HE LYS 53 25.555 12.970 20.039 501 2HE LYS 53 2HE LYS 53 24.384 13.460 21.259 502 1HZ LYS 53 3HZ LYS 53 23.804 11.291 19.340 503 2HZ LYS 53 1HZ LYS 53 24.615 10.993 20.804 504 3HZ LYS 53 2HZ LYS 53 23.039 11.628 20.816 505 H GLU 54 H GLU 54 26.414 17.306 20.263 506 HA GLU 54 HA GLU 54 27.314 19.438 20.232 507 1HB GLU 54 1HB GLU 54 25.921 20.807 21.332 508 2HB GLU 54 2HB GLU 54 25.630 19.660 22.613 509 1HG GLU 54 1HG GLU 54 28.281 21.130 22.444 510 2HG GLU 54 2HG GLU 54 26.876 21.847 23.232 511 H ILE 55 H ILE 55 29.178 20.349 20.584 512 HA ILE 55 HA ILE 55 30.994 19.309 22.692 513 HB ILE 55 HB ILE 55 31.239 19.413 19.779 514 1HG1 ILE 55 1HG1 ILE 55 32.937 18.177 21.925 515 2HG1 ILE 55 2HG1 ILE 55 31.519 17.386 21.175 516 1HG2 ILE 55 2HG2 ILE 55 32.659 21.400 20.501 517 2HG2 ILE 55 3HG2 ILE 55 33.591 20.275 21.474 518 3HG2 ILE 55 1HG2 ILE 55 33.538 20.098 19.728 519 1HD1 ILE 55 2HD1 ILE 55 32.913 18.533 19.108 520 2HD1 ILE 55 3HD1 ILE 55 34.163 17.798 20.116 521 3HD1 ILE 55 1HD1 ILE 55 32.839 16.821 19.491 522 H LEU 56 H LEU 56 32.760 21.230 22.828 523 HA LEU 56 HA LEU 56 31.720 23.761 21.867 524 1HB LEU 56 1HB LEU 56 32.129 24.559 24.426 525 2HB LEU 56 2HB LEU 56 30.558 24.202 23.719 526 HG LEU 56 HG LEU 56 30.746 21.866 24.452 527 1HD1 LEU 56 1HD1 LEU 56 33.325 22.092 24.356 528 2HD1 LEU 56 2HD1 LEU 56 33.186 22.703 26.004 529 3HD1 LEU 56 3HD1 LEU 56 32.631 21.072 25.621 530 1HD2 LEU 56 2HD2 LEU 56 30.067 24.013 25.928 531 2HD2 LEU 56 3HD2 LEU 56 30.004 22.368 26.568 532 3HD2 LEU 56 1HD2 LEU 56 31.393 23.399 26.919 533 H VAL 57 H VAL 57 34.110 22.172 21.460 534 HA VAL 57 HA VAL 57 36.358 22.599 21.177 535 HB VAL 57 HB VAL 57 36.873 24.684 20.670 536 1HG1 VAL 57 2HG1 VAL 57 34.245 24.462 20.389 537 2HG1 VAL 57 3HG1 VAL 57 34.262 25.781 21.558 538 3HG1 VAL 57 1HG1 VAL 57 35.089 25.964 20.013 539 1HG2 VAL 57 1HG2 VAL 57 37.498 25.225 22.994 540 2HG2 VAL 57 2HG2 VAL 57 36.754 26.611 22.203 541 3HG2 VAL 57 3HG2 VAL 57 35.826 25.645 23.336 542 H GLY 58 H GLY 58 35.339 24.166 24.272 543 1HA GLY 58 1HA GLY 58 37.700 23.772 25.703 544 2HA GLY 58 2HA GLY 58 36.098 23.683 26.441 545 H ASP 59 H ASP 59 34.921 21.499 25.649 546 HA ASP 59 HA ASP 59 36.110 19.346 26.953 547 1HB ASP 59 1HB ASP 59 34.181 19.424 24.633 548 2HB ASP 59 2HB ASP 59 34.760 17.888 25.290 549 H VAL 60 H VAL 60 36.365 20.203 23.503 550 HA VAL 60 HA VAL 60 37.902 18.094 22.559 551 HB VAL 60 HB VAL 60 38.421 21.028 21.968 552 1HG1 VAL 60 1HG1 VAL 60 40.115 19.324 21.184 553 2HG1 VAL 60 2HG1 VAL 60 38.829 18.603 20.217 554 3HG1 VAL 60 3HG1 VAL 60 39.348 20.258 19.900 555 1HG2 VAL 60 1HG2 VAL 60 36.002 20.006 21.718 556 2HG2 VAL 60 2HG2 VAL 60 36.680 20.963 20.401 557 3HG2 VAL 60 3HG2 VAL 60 36.698 19.204 20.312 558 H GLY 61 H GLY 61 39.264 17.215 24.086 559 1HA GLY 61 1HA GLY 61 41.848 17.451 24.334 560 2HA GLY 61 2HA GLY 61 41.434 18.935 25.188 561 H VAL 62 H VAL 62 38.997 16.831 25.817 562 HA VAL 62 HA VAL 62 40.334 15.622 28.202 563 HB VAL 62 HB VAL 62 37.618 15.863 28.805 564 1HG1 VAL 62 1HG1 VAL 62 40.070 17.403 29.661 565 2HG1 VAL 62 2HG1 VAL 62 38.495 17.691 30.400 566 3HG1 VAL 62 3HG1 VAL 62 39.245 16.098 30.514 567 1HG2 VAL 62 2HG2 VAL 62 38.634 18.314 27.380 568 2HG2 VAL 62 3HG2 VAL 62 37.090 17.478 27.183 569 3HG2 VAL 62 1HG2 VAL 62 37.400 18.436 28.632 570 H THR 63 H THR 63 36.987 15.403 27.165 571 HA THR 63 HA THR 63 37.124 12.522 26.897 572 HB THR 63 HB THR 63 35.065 14.590 26.075 573 HG1 THR 63 HG1 THR 63 34.371 12.772 27.957 574 1HG2 THR 63 2HG2 THR 63 35.358 11.826 25.333 575 2HG2 THR 63 3HG2 THR 63 33.898 12.036 26.300 576 3HG2 THR 63 1HG2 THR 63 34.125 12.983 24.831 577 H ILE 64 H ILE 64 37.860 15.304 25.057 578 HA ILE 64 HA ILE 64 38.160 13.635 22.594 579 HB ILE 64 HB ILE 64 37.856 16.253 21.709 580 1HG1 ILE 64 1HG1 ILE 64 36.043 15.695 24.080 581 2HG1 ILE 64 2HG1 ILE 64 37.042 17.118 23.803 582 1HG2 ILE 64 1HG2 ILE 64 36.837 13.919 21.024 583 2HG2 ILE 64 2HG2 ILE 64 35.493 14.423 22.061 584 3HG2 ILE 64 3HG2 ILE 64 35.944 15.396 20.655 585 1HD1 ILE 64 3HD1 ILE 64 35.577 17.295 21.594 586 2HD1 ILE 64 1HD1 ILE 64 34.433 16.345 22.544 587 3HD1 ILE 64 2HD1 ILE 64 34.965 17.926 23.125 588 H THR 65 H THR 65 39.837 15.089 21.053 589 HA THR 65 HA THR 65 41.876 16.321 22.825 590 HB THR 65 HB THR 65 43.649 14.829 22.121 591 HG1 THR 65 HG1 THR 65 43.096 14.214 20.113 592 1HG2 THR 65 3HG2 THR 65 42.278 14.161 24.067 593 2HG2 THR 65 1HG2 THR 65 41.196 13.275 22.993 594 3HG2 THR 65 2HG2 THR 65 42.869 12.753 23.186 595 H ASP 66 H ASP 66 40.300 17.490 20.708 596 HA ASP 66 HA ASP 66 41.016 19.318 19.355 597 1HB ASP 66 1HB ASP 66 43.384 18.581 20.137 598 2HB ASP 66 2HB ASP 66 43.490 17.915 18.502 599 HA PRO 67 HA PRO 67 40.825 16.666 15.428 600 1HB PRO 67 1HB PRO 67 39.506 14.266 15.730 601 2HB PRO 67 2HB PRO 67 41.258 14.426 15.840 602 1HG PRO 67 1HG PRO 67 39.275 14.051 18.031 603 2HG PRO 67 2HG PRO 67 40.977 13.565 17.955 604 1HD PRO 67 1HD PRO 67 39.969 15.832 19.314 605 2HD PRO 67 2HD PRO 67 41.668 15.503 18.924 606 H PHE 68 H PHE 68 38.085 14.954 15.520 607 HA PHE 68 HA PHE 68 36.142 16.946 16.361 608 1HB PHE 68 1HB PHE 68 35.613 17.932 14.359 609 2HB PHE 68 2HB PHE 68 37.295 17.537 13.977 610 HD1 PHE 68 HD1 PHE 68 37.739 15.129 13.153 611 HD2 PHE 68 HD2 PHE 68 33.923 17.063 13.008 612 HE1 PHE 68 HE1 PHE 68 36.981 13.483 11.495 613 HE2 PHE 68 HE2 PHE 68 33.161 15.423 11.331 614 HZ PHE 68 HZ PHE 68 34.679 13.625 10.565 615 H LYS 69 H LYS 69 36.932 13.969 14.646 616 HA LYS 69 HA LYS 69 34.369 13.003 14.015 617 1HB LYS 69 1HB LYS 69 35.357 10.888 13.808 618 2HB LYS 69 2HB LYS 69 36.728 11.973 13.571 619 1HG LYS 69 1HG LYS 69 37.726 10.774 15.215 620 2HG LYS 69 2HG LYS 69 36.685 11.684 16.310 621 1HD LYS 69 1HD LYS 69 36.552 9.201 16.649 622 2HD LYS 69 2HD LYS 69 35.000 9.937 16.249 623 1HE LYS 69 1HE LYS 69 34.967 9.036 14.111 624 2HE LYS 69 2HE LYS 69 36.724 8.930 14.018 625 1HZ LYS 69 1HZ LYS 69 35.814 7.329 16.139 626 2HZ LYS 69 2HZ LYS 69 34.926 6.935 14.746 627 3HZ LYS 69 3HZ LYS 69 36.623 6.853 14.726 628 H HIS 70 H HIS 70 35.868 13.349 17.174 629 HA HIS 70 HA HIS 70 34.286 11.447 18.565 630 1HB HIS 70 1HB HIS 70 35.557 12.375 20.184 631 2HB HIS 70 2HB HIS 70 35.731 13.890 19.285 632 HD1 HIS 70 HD1 HIS 70 33.077 12.047 21.303 633 HD2 HIS 70 HD2 HIS 70 34.135 15.913 20.239 634 HE1 HIS 70 HE1 HIS 70 31.500 13.601 22.508 635 H PHE 71 H PHE 71 33.661 14.831 17.699 636 HA PHE 71 HA PHE 71 31.018 14.947 18.746 637 1HB PHE 71 1HB PHE 71 31.711 17.081 18.286 638 2HB PHE 71 2HB PHE 71 32.714 16.587 16.937 639 HD1 PHE 71 HD1 PHE 71 31.365 15.847 14.775 640 HD2 PHE 71 HD2 PHE 71 29.785 18.253 17.971 641 HE1 PHE 71 HE1 PHE 71 29.620 16.729 13.254 642 HE2 PHE 71 HE2 PHE 71 28.036 19.104 16.466 643 HZ PHE 71 HZ PHE 71 27.948 18.358 14.095 644 H VAL 72 H VAL 72 32.303 13.803 15.639 645 HA VAL 72 HA VAL 72 29.762 13.629 14.341 646 HB VAL 72 HB VAL 72 30.825 12.250 12.780 647 1HG1 VAL 72 1HG1 VAL 72 32.726 14.199 13.965 648 2HG1 VAL 72 2HG1 VAL 72 33.196 13.236 12.567 649 3HG1 VAL 72 3HG1 VAL 72 31.806 14.315 12.471 650 1HG2 VAL 72 2HG2 VAL 72 31.987 10.928 14.936 651 2HG2 VAL 72 3HG2 VAL 72 32.131 10.509 13.238 652 3HG2 VAL 72 1HG2 VAL 72 33.325 11.553 13.994 653 H GLY 73 H GLY 73 31.513 11.786 16.621 654 1HA GLY 73 1HA GLY 73 29.937 9.410 16.696 655 2HA GLY 73 2HA GLY 73 30.917 10.019 18.038 656 H MET 74 H MET 74 29.682 12.630 18.216 657 HA MET 74 HA MET 74 27.447 12.047 19.895 658 1HB MET 74 1HB MET 74 28.157 14.580 18.386 659 2HB MET 74 2HB MET 74 26.916 14.472 19.631 660 1HG MET 74 1HG MET 74 28.733 13.564 21.182 661 2HG MET 74 2HG MET 74 29.897 14.068 19.957 662 1HE MET 74 3HE MET 74 29.447 16.318 18.711 663 2HE MET 74 1HE MET 74 29.732 17.754 19.710 664 3HE MET 74 2HE MET 74 30.875 16.398 19.782 665 H LEU 75 H LEU 75 27.843 12.811 16.519 666 HA LEU 75 HA LEU 75 25.036 12.798 15.827 667 1HB LEU 75 1HB LEU 75 27.291 12.050 13.967 668 2HB LEU 75 2HB LEU 75 25.816 12.908 13.594 669 HG LEU 75 HG LEU 75 28.141 13.976 15.180 670 1HD1 LEU 75 2HD1 LEU 75 26.867 14.716 12.533 671 2HD1 LEU 75 3HD1 LEU 75 28.203 15.573 13.289 672 3HD1 LEU 75 1HD1 LEU 75 28.423 13.914 12.741 673 1HD2 LEU 75 2HD2 LEU 75 25.814 14.643 15.992 674 2HD2 LEU 75 3HD2 LEU 75 26.852 15.975 15.485 675 3HD2 LEU 75 1HD2 LEU 75 25.580 15.388 14.412 676 HA PRO 76 HA PRO 76 25.081 8.264 16.067 677 1HB PRO 76 1HB PRO 76 22.384 8.014 16.487 678 2HB PRO 76 2HB PRO 76 23.528 8.390 17.784 679 1HG PRO 76 1HG PRO 76 21.535 10.163 16.488 680 2HG PRO 76 2HG PRO 76 22.330 10.335 18.061 681 1HD PRO 76 1HD PRO 76 22.987 11.695 15.618 682 2HD PRO 76 2HD PRO 76 23.829 11.807 17.173 683 H GLU 77 H GLU 77 22.766 6.923 15.039 684 HA GLU 77 HA GLU 77 22.791 7.857 12.199 685 1HB GLU 77 1HB GLU 77 22.227 5.026 13.031 686 2HB GLU 77 2HB GLU 77 22.842 5.629 11.488 687 1HG GLU 77 1HG GLU 77 24.996 6.074 12.412 688 2HG GLU 77 2HG GLU 77 24.408 5.860 14.062 689 H LYS 78 H LYS 78 20.968 7.285 14.974 690 HA LYS 78 HA LYS 78 18.416 6.878 13.546 691 1HB LYS 78 1HB LYS 78 17.526 6.174 15.574 692 2HB LYS 78 2HB LYS 78 19.208 5.672 15.734 693 1HG LYS 78 1HG LYS 78 18.175 8.330 16.750 694 2HG LYS 78 2HG LYS 78 18.258 6.887 17.745 695 1HD LYS 78 1HD LYS 78 20.578 8.314 16.410 696 2HD LYS 78 2HD LYS 78 20.263 8.183 18.138 697 1HE LYS 78 1HE LYS 78 20.238 5.536 17.320 698 2HE LYS 78 2HE LYS 78 21.523 6.238 16.340 699 1HZ LYS 78 3HZ LYS 78 21.773 7.258 18.920 700 2HZ LYS 78 1HZ LYS 78 21.570 5.581 19.066 701 3HZ LYS 78 2HZ LYS 78 22.825 6.203 18.105 702 H ASP 79 H ASP 79 20.109 9.529 13.807 703 HA ASP 79 HA ASP 79 17.770 11.230 14.072 704 1HB ASP 79 1HB ASP 79 20.045 11.351 16.087 705 2HB ASP 79 2HB ASP 79 18.897 12.671 15.844 706 H CYS 80 H CYS 80 18.078 12.946 12.760 707 HA CYS 80 HA CYS 80 20.600 13.094 11.273 708 1HB CYS 80 1HB CYS 80 18.099 14.827 11.113 709 2HB CYS 80 2HB CYS 80 19.454 14.893 9.989 710 HG CYS 80 HG CYS 80 18.696 12.743 8.924 711 H ARG 81 H ARG 81 18.805 15.883 12.321 712 HA ARG 81 HA ARG 81 19.261 17.551 13.855 713 1HB ARG 81 1HB ARG 81 21.834 16.299 14.707 714 2HB ARG 81 2HB ARG 81 20.627 17.144 15.663 715 1HG ARG 81 1HG ARG 81 20.771 14.252 14.926 716 2HG ARG 81 2HG ARG 81 20.265 15.004 16.423 717 1HD ARG 81 1HD ARG 81 18.357 15.763 14.454 718 2HD ARG 81 2HD ARG 81 18.638 14.046 14.276 719 HE ARG 81 HE ARG 81 18.311 14.706 17.050 720 1HH1 ARG 81 1HH2 ARG 81 17.022 13.032 14.473 721 2HH1 ARG 81 2HH2 ARG 81 15.377 13.100 15.010 722 1HH2 ARG 81 1HH1 ARG 81 16.026 15.347 17.571 723 2HH2 ARG 81 2HH1 ARG 81 14.813 14.411 16.763 724 H TYR 82 H TYR 82 20.027 19.489 13.143 725 HA TYR 82 HA TYR 82 22.229 19.532 11.226 726 1HB TYR 82 1HB TYR 82 20.512 21.621 12.565 727 2HB TYR 82 2HB TYR 82 21.992 22.111 11.748 728 HD1 TYR 82 HD2 TYR 82 21.741 19.747 9.667 729 HD2 TYR 82 HD1 TYR 82 19.096 22.855 10.942 730 HE1 TYR 82 HE2 TYR 82 20.602 19.644 7.483 731 HE2 TYR 82 HE1 TYR 82 17.932 22.756 8.745 732 HH TYR 82 HH TYR 82 18.686 20.268 6.380 733 H ALA 83 H ALA 83 24.313 20.910 11.864 734 HA ALA 83 HA ALA 83 24.658 21.007 14.757 735 1HB ALA 83 1HB ALA 83 26.237 19.020 13.139 736 2HB ALA 83 2HB ALA 83 26.656 19.525 14.779 737 3HB ALA 83 3HB ALA 83 25.133 18.678 14.464 738 H LEU 84 H LEU 84 25.933 22.549 15.290 739 HA LEU 84 HA LEU 84 27.849 23.632 13.294 740 1HB LEU 84 1HB LEU 84 26.118 24.995 15.356 741 2HB LEU 84 2HB LEU 84 27.489 25.813 14.601 742 HG LEU 84 HG LEU 84 25.342 26.273 13.410 743 1HD1 LEU 84 2HD1 LEU 84 27.596 24.811 12.094 744 2HD1 LEU 84 3HD1 LEU 84 26.198 25.303 11.151 745 3HD1 LEU 84 1HD1 LEU 84 27.155 26.512 11.988 746 1HD2 LEU 84 1HD2 LEU 84 24.663 23.747 14.003 747 2HD2 LEU 84 2HD2 LEU 84 23.953 24.610 12.655 748 3HD2 LEU 84 3HD2 LEU 84 25.280 23.492 12.375 749 H TYR 85 H TYR 85 29.676 22.637 13.921 750 HA TYR 85 HA TYR 85 30.320 22.646 16.827 751 1HB TYR 85 1HB TYR 85 30.540 20.459 16.219 752 2HB TYR 85 2HB TYR 85 30.912 20.857 14.541 753 HD1 TYR 85 HD2 TYR 85 32.283 20.846 17.999 754 HD2 TYR 85 HD1 TYR 85 33.147 21.086 13.780 755 HE1 TYR 85 HE2 TYR 85 34.722 20.592 18.471 756 HE2 TYR 85 HE1 TYR 85 35.563 20.811 14.266 757 HH TYR 85 HH TYR 85 36.774 19.722 17.137 758 H ASP 86 H ASP 86 31.638 24.328 17.407 759 HA ASP 86 HA ASP 86 33.124 25.967 15.676 760 1HB ASP 86 1HB ASP 86 32.731 26.068 18.314 761 2HB ASP 86 2HB ASP 86 34.316 25.293 18.342 762 H ALA 87 H ALA 87 34.469 25.137 14.171 763 HA ALA 87 HA ALA 87 36.017 22.704 14.739 764 1HB ALA 87 3HB ALA 87 35.002 23.864 12.423 765 2HB ALA 87 1HB ALA 87 36.748 24.104 12.294 766 3HB ALA 87 2HB ALA 87 36.089 22.478 12.500 767 H SER 88 H SER 88 38.132 22.615 15.306 768 HA SER 88 HA SER 88 39.601 25.218 15.433 769 1HB SER 88 1HB SER 88 40.220 22.607 16.854 770 2HB SER 88 2HB SER 88 41.046 24.145 17.082 771 HG SER 88 HG SER 88 39.041 25.000 17.809 772 H PHE 89 H PHE 89 40.414 25.264 13.331 773 HA PHE 89 HA PHE 89 42.453 23.180 12.704 774 1HB PHE 89 1HB PHE 89 41.581 22.875 10.474 775 2HB PHE 89 2HB PHE 89 40.243 22.637 11.606 776 HD1 PHE 89 HD1 PHE 89 38.536 24.350 11.925 777 HD2 PHE 89 HD2 PHE 89 41.704 24.880 9.084 778 HE1 PHE 89 HE1 PHE 89 37.291 26.233 10.892 779 HE2 PHE 89 HE2 PHE 89 40.471 26.769 8.054 780 HZ PHE 89 HZ PHE 89 38.263 27.446 8.957 781 H GLU 90 H GLU 90 44.177 23.956 11.413 782 HA GLU 90 HA GLU 90 44.293 26.896 11.133 783 1HB GLU 90 1HB GLU 90 46.376 24.814 10.423 784 2HB GLU 90 2HB GLU 90 46.608 26.569 10.399 785 1HG GLU 90 1HG GLU 90 47.108 26.532 12.574 786 2HG GLU 90 2HG GLU 90 45.503 25.889 12.923 787 H THR 91 H THR 91 45.158 27.689 8.999 788 HA THR 91 HA THR 91 44.281 26.035 6.718 789 HB THR 91 HB THR 91 42.197 27.039 7.054 790 HG1 THR 91 HG1 THR 91 42.030 28.853 5.719 791 1HG2 THR 91 3HG2 THR 91 43.004 28.219 9.101 792 2HG2 THR 91 1HG2 THR 91 43.593 29.534 8.080 793 3HG2 THR 91 2HG2 THR 91 41.870 29.183 8.159 794 H LYS 92 H LYS 92 44.522 27.956 4.620 795 HA LYS 92 HA LYS 92 47.300 28.688 4.678 796 1HB LYS 92 1HB LYS 92 44.979 29.881 3.110 797 2HB LYS 92 2HB LYS 92 46.681 30.212 2.787 798 1HG LYS 92 1HG LYS 92 46.940 27.652 2.556 799 2HG LYS 92 2HG LYS 92 45.179 27.614 2.444 800 1HD LYS 92 1HD LYS 92 45.195 28.430 0.333 801 2HD LYS 92 2HD LYS 92 46.377 29.674 0.740 802 1HE LYS 92 1HE LYS 92 47.719 27.166 0.846 803 2HE LYS 92 2HE LYS 92 46.801 27.210 -0.660 804 1HZ LYS 92 2HZ LYS 92 47.927 29.719 -0.347 805 2HZ LYS 92 3HZ LYS 92 49.160 28.608 0.015 806 3HZ LYS 92 1HZ LYS 92 48.361 28.527 -1.478 807 H GLU 93 H GLU 93 44.403 29.856 6.106 808 HA GLU 93 HA GLU 93 45.346 32.520 6.701 809 1HB GLU 93 1HB GLU 93 43.028 32.388 6.341 810 2HB GLU 93 2HB GLU 93 42.887 30.889 7.251 811 1HG GLU 93 1HG GLU 93 42.537 31.980 9.138 812 2HG GLU 93 2HG GLU 93 43.960 32.992 8.896 813 H SER 94 H SER 94 45.235 29.375 8.141 814 HA SER 94 HA SER 94 46.782 28.641 9.820 815 1HB SER 94 1HB SER 94 46.392 31.353 11.016 816 2HB SER 94 2HB SER 94 47.560 30.123 11.502 817 HG SER 94 HG SER 94 48.208 30.350 9.135 818 H ARG 95 H ARG 95 46.446 28.211 12.188 819 HA ARG 95 HA ARG 95 43.965 27.196 12.864 820 1HB ARG 95 1HB ARG 95 46.085 27.035 14.253 821 2HB ARG 95 2HB ARG 95 45.681 28.629 14.877 822 1HG ARG 95 1HG ARG 95 44.640 27.304 16.465 823 2HG ARG 95 2HG ARG 95 43.326 27.508 15.305 824 1HD ARG 95 1HD ARG 95 43.627 25.358 14.397 825 2HD ARG 95 2HD ARG 95 45.262 25.216 15.042 826 HE ARG 95 HE ARG 95 42.957 24.321 16.396 827 1HH1 ARG 95 1HH1 ARG 95 43.043 26.654 18.090 828 2HH1 ARG 95 2HH1 ARG 95 44.250 26.280 19.273 829 1HH2 ARG 95 1HH2 ARG 95 45.662 23.720 17.406 830 2HH2 ARG 95 2HH2 ARG 95 45.736 24.615 18.887 831 H LYS 96 H LYS 96 42.243 28.306 12.459 832 HA LYS 96 HA LYS 96 41.846 30.909 13.849 833 1HB LYS 96 1HB LYS 96 41.466 30.305 10.920 834 2HB LYS 96 2HB LYS 96 40.740 31.706 11.706 835 1HG LYS 96 1HG LYS 96 43.548 31.427 12.415 836 2HG LYS 96 2HG LYS 96 43.342 31.548 10.674 837 1HD LYS 96 1HD LYS 96 42.382 33.485 12.786 838 2HD LYS 96 2HD LYS 96 43.558 33.785 11.503 839 1HE LYS 96 1HE LYS 96 41.859 34.508 10.225 840 2HE LYS 96 2HE LYS 96 41.260 32.841 10.184 841 1HZ LYS 96 3HZ LYS 96 40.633 34.777 12.355 842 2HZ LYS 96 1HZ LYS 96 39.638 34.541 10.999 843 3HZ LYS 96 2HZ LYS 96 39.912 33.268 12.086 844 H GLU 97 H GLU 97 40.841 28.158 14.219 845 HA GLU 97 HA GLU 97 38.824 26.946 14.219 846 1HB GLU 97 1HB GLU 97 39.375 28.399 16.347 847 2HB GLU 97 2HB GLU 97 37.847 29.167 15.904 848 1HG GLU 97 1HG GLU 97 36.747 26.986 15.821 849 2HG GLU 97 2HG GLU 97 38.282 26.207 16.226 850 H GLU 98 H GLU 98 37.285 26.697 12.774 851 HA GLU 98 HA GLU 98 35.314 28.872 12.441 852 1HB GLU 98 1HB GLU 98 36.131 29.426 10.442 853 2HB GLU 98 2HB GLU 98 37.206 28.033 10.401 854 1HG GLU 98 1HG GLU 98 35.552 26.646 9.433 855 2HG GLU 98 2HG GLU 98 34.248 27.751 9.874 856 H LEU 99 H LEU 99 33.715 27.793 13.389 857 HA LEU 99 HA LEU 99 32.986 25.078 13.411 858 1HB LEU 99 1HB LEU 99 30.674 25.809 13.705 859 2HB LEU 99 2HB LEU 99 31.745 26.893 14.603 860 HG LEU 99 HG LEU 99 31.581 27.846 11.920 861 1HD1 LEU 99 2HD1 LEU 99 29.119 26.641 12.893 862 2HD1 LEU 99 3HD1 LEU 99 28.914 28.366 12.566 863 3HD1 LEU 99 1HD1 LEU 99 29.492 27.289 11.277 864 1HD2 LEU 99 3HD2 LEU 99 31.685 28.776 14.496 865 2HD2 LEU 99 1HD2 LEU 99 31.506 29.792 13.072 866 3HD2 LEU 99 2HD2 LEU 99 30.074 29.300 13.992 867 H MET 100 H MET 100 30.993 24.201 12.270 868 HA MET 100 HA MET 100 30.668 25.095 9.496 869 1HB MET 100 1HB MET 100 31.635 22.353 10.182 870 2HB MET 100 2HB MET 100 31.362 23.009 8.563 871 1HG MET 100 1HG MET 100 33.044 24.792 9.079 872 2HG MET 100 2HG MET 100 33.417 23.948 10.579 873 1HE MET 100 2HE MET 100 32.732 21.164 9.725 874 2HE MET 100 3HE MET 100 32.199 21.575 8.089 875 3HE MET 100 1HE MET 100 33.535 20.452 8.324 876 H PHE 101 H PHE 101 28.697 24.792 8.855 877 HA PHE 101 HA PHE 101 26.631 23.804 10.465 878 1HB PHE 101 1HB PHE 101 26.610 25.295 8.331 879 2HB PHE 101 2HB PHE 101 26.575 23.768 7.482 880 HD1 PHE 101 HD1 PHE 101 24.972 23.972 10.735 881 HD2 PHE 101 HD2 PHE 101 24.415 24.361 6.502 882 HE1 PHE 101 HE1 PHE 101 22.531 23.715 11.034 883 HE2 PHE 101 HE2 PHE 101 21.959 24.152 6.808 884 HZ PHE 101 HZ PHE 101 21.023 23.811 9.063 885 H PHE 102 H PHE 102 25.676 21.732 10.646 886 HA PHE 102 HA PHE 102 26.897 19.686 8.854 887 1HB PHE 102 1HB PHE 102 26.916 19.849 11.777 888 2HB PHE 102 2HB PHE 102 26.435 18.270 11.140 889 HD1 PHE 102 HD2 PHE 102 27.845 17.324 9.188 890 HD2 PHE 102 HD1 PHE 102 29.151 20.443 11.849 891 HE1 PHE 102 HE2 PHE 102 30.212 16.926 8.523 892 HE2 PHE 102 HE1 PHE 102 31.501 20.043 11.204 893 HZ PHE 102 HZ PHE 102 32.044 18.277 9.532 894 H LEU 103 H LEU 103 25.319 18.915 7.625 895 HA LEU 103 HA LEU 103 22.565 18.776 8.643 896 1HB LEU 103 1HB LEU 103 23.710 18.026 5.946 897 2HB LEU 103 2HB LEU 103 22.015 17.922 6.391 898 HG LEU 103 HG LEU 103 21.690 20.118 6.096 899 1HD1 LEU 103 1HD1 LEU 103 22.910 20.502 8.301 900 2HD1 LEU 103 2HD1 LEU 103 24.354 20.806 7.344 901 3HD1 LEU 103 3HD1 LEU 103 22.951 21.852 7.173 902 1HD2 LEU 103 3HD2 LEU 103 23.114 19.627 4.135 903 2HD2 LEU 103 1HD2 LEU 103 23.300 21.298 4.665 904 3HD2 LEU 103 2HD2 LEU 103 24.534 20.106 5.064 905 H TRP 104 H TRP 104 23.962 17.315 10.212 906 HA TRP 104 HA TRP 104 24.740 14.738 9.676 907 1HB TRP 104 1HB TRP 104 24.616 15.764 11.988 908 2HB TRP 104 2HB TRP 104 22.877 15.440 11.977 909 HD1 TRP 104 HD1 TRP 104 22.981 13.564 13.910 910 HE1 TRP 104 HE1 TRP 104 23.825 11.141 13.888 911 HE3 TRP 104 HE3 TRP 104 25.793 13.563 9.575 912 HZ2 TRP 104 HZ2 TRP 104 25.568 9.444 12.254 913 HZ3 TRP 104 HZ3 TRP 104 26.956 11.601 8.858 914 HH2 TRP 104 HH2 TRP 104 26.864 9.513 10.182 915 H ALA 105 H ALA 105 23.598 13.672 8.042 916 HA ALA 105 HA ALA 105 20.739 13.003 8.638 917 1HB ALA 105 3HB ALA 105 21.976 14.147 6.155 918 2HB ALA 105 1HB ALA 105 20.722 12.923 5.943 919 3HB ALA 105 2HB ALA 105 20.365 14.407 6.825 920 HA PRO 106 HA PRO 106 23.157 9.173 8.220 921 1HB PRO 106 1HB PRO 106 21.480 7.686 9.818 922 2HB PRO 106 2HB PRO 106 22.814 8.678 10.434 923 1HG PRO 106 1HG PRO 106 19.875 9.223 10.497 924 2HG PRO 106 2HG PRO 106 21.147 9.775 11.603 925 1HD PRO 106 1HD PRO 106 19.975 11.317 9.573 926 2HD PRO 106 2HD PRO 106 21.491 11.709 10.406 927 H GLU 107 H GLU 107 22.856 7.538 6.785 928 HA GLU 107 HA GLU 107 20.712 7.602 4.931 929 1HB GLU 107 1HB GLU 107 23.025 5.859 5.508 930 2HB GLU 107 2HB GLU 107 21.688 5.062 4.679 931 1HG GLU 107 1HG GLU 107 22.070 7.638 3.491 932 2HG GLU 107 2HG GLU 107 23.634 6.825 3.571 933 H LEU 108 H LEU 108 20.607 6.463 8.142 934 HA LEU 108 HA LEU 108 18.476 4.524 7.429 935 1HB LEU 108 1HB LEU 108 18.927 4.013 10.042 936 2HB LEU 108 2HB LEU 108 19.766 3.196 8.726 937 HG LEU 108 HG LEU 108 20.788 5.762 9.928 938 1HD1 LEU 108 1HD1 LEU 108 20.966 2.947 10.896 939 2HD1 LEU 108 2HD1 LEU 108 22.446 3.906 10.945 940 3HD1 LEU 108 3HD1 LEU 108 21.010 4.456 11.810 941 1HD2 LEU 108 1HD2 LEU 108 21.390 4.288 7.655 942 2HD2 LEU 108 2HD2 LEU 108 22.431 5.502 8.407 943 3HD2 LEU 108 3HD2 LEU 108 22.638 3.794 8.814 944 H ALA 109 H ALA 109 19.161 7.524 8.968 945 HA ALA 109 HA ALA 109 17.314 7.814 10.995 946 1HB ALA 109 1HB ALA 109 18.387 9.641 8.960 947 2HB ALA 109 2HB ALA 109 16.793 10.128 9.571 948 3HB ALA 109 3HB ALA 109 18.149 9.898 10.693 949 HA PRO 110 HA PRO 110 13.273 7.280 9.499 950 1HB PRO 110 1HB PRO 110 11.961 9.326 10.790 951 2HB PRO 110 2HB PRO 110 12.529 7.861 11.602 952 1HG PRO 110 1HG PRO 110 13.706 10.611 11.651 953 2HG PRO 110 2HG PRO 110 13.750 9.350 12.895 954 1HD PRO 110 1HD PRO 110 15.868 9.978 11.161 955 2HD PRO 110 2HD PRO 110 15.710 8.466 12.077 956 H LEU 111 H LEU 111 12.225 7.836 7.618 957 HA LEU 111 HA LEU 111 13.086 9.676 5.759 958 1HB LEU 111 1HB LEU 111 10.666 8.163 6.198 959 2HB LEU 111 2HB LEU 111 10.264 9.754 5.553 960 HG LEU 111 HG LEU 111 10.676 8.094 3.748 961 1HD1 LEU 111 2HD1 LEU 111 11.431 10.663 3.804 962 2HD1 LEU 111 3HD1 LEU 111 13.024 9.932 3.613 963 3HD1 LEU 111 1HD1 LEU 111 11.767 9.629 2.415 964 1HD2 LEU 111 3HD2 LEU 111 12.453 6.896 5.213 965 2HD2 LEU 111 1HD2 LEU 111 12.765 7.018 3.482 966 3HD2 LEU 111 2HD2 LEU 111 13.572 8.115 4.606 967 H LYS 112 H LYS 112 10.915 10.373 8.470 968 HA LYS 112 HA LYS 112 10.150 12.977 7.641 969 1HB LYS 112 1HB LYS 112 9.926 13.342 10.209 970 2HB LYS 112 2HB LYS 112 8.914 12.127 9.428 971 1HG LYS 112 1HG LYS 112 9.795 10.538 10.754 972 2HG LYS 112 2HG LYS 112 11.403 10.911 10.130 973 1HD LYS 112 1HD LYS 112 10.069 12.519 12.313 974 2HD LYS 112 2HD LYS 112 11.164 11.172 12.634 975 1HE LYS 112 1HE LYS 112 12.940 12.298 11.336 976 2HE LYS 112 2HE LYS 112 11.847 13.651 11.019 977 1HZ LYS 112 1HZ LYS 112 11.788 13.220 13.755 978 2HZ LYS 112 2HZ LYS 112 13.428 13.147 13.314 979 3HZ LYS 112 3HZ LYS 112 12.509 14.521 12.935 980 H SER 113 H SER 113 13.088 12.038 9.522 981 HA SER 113 HA SER 113 13.797 14.899 9.735 982 1HB SER 113 1HB SER 113 14.298 13.567 11.684 983 2HB SER 113 2HB SER 113 15.164 12.378 10.715 984 HG SER 113 HG SER 113 16.179 14.445 11.897 985 H LYS 114 H LYS 114 13.857 12.971 7.240 986 HA LYS 114 HA LYS 114 16.593 13.773 6.336 987 1HB LYS 114 1HB LYS 114 15.127 11.860 4.666 988 2HB LYS 114 2HB LYS 114 16.759 11.742 5.331 989 1HG LYS 114 1HG LYS 114 15.544 11.334 7.615 990 2HG LYS 114 2HG LYS 114 14.147 10.961 6.611 991 1HD LYS 114 1HD LYS 114 16.740 9.492 6.849 992 2HD LYS 114 2HD LYS 114 15.098 8.855 6.739 993 1HE LYS 114 1HE LYS 114 15.019 9.628 4.355 994 2HE LYS 114 2HE LYS 114 16.716 10.084 4.490 995 1HZ LYS 114 2HZ LYS 114 17.048 7.694 5.276 996 2HZ LYS 114 3HZ LYS 114 15.518 7.392 4.607 997 3HZ LYS 114 1HZ LYS 114 16.780 7.955 3.618 998 H MET 115 H MET 115 13.172 13.631 5.628 999 HA MET 115 HA MET 115 13.370 15.202 3.139 1000 1HB MET 115 1HB MET 115 10.878 14.757 4.779 1001 2HB MET 115 2HB MET 115 11.010 14.978 3.029 1002 1HG MET 115 1HG MET 115 12.555 12.692 3.570 1003 2HG MET 115 2HG MET 115 11.111 12.518 4.566 1004 1HE MET 115 1HE MET 115 12.100 14.244 1.560 1005 2HE MET 115 2HE MET 115 11.998 12.947 0.361 1006 3HE MET 115 3HE MET 115 10.716 14.150 0.476 1007 H ILE 116 H ILE 116 12.923 15.650 6.551 1008 HA ILE 116 HA ILE 116 11.529 18.087 6.411 1009 HB ILE 116 HB ILE 116 12.852 16.353 8.373 1010 1HG1 ILE 116 1HG1 ILE 116 10.290 18.005 8.302 1011 2HG1 ILE 116 2HG1 ILE 116 10.429 16.267 8.017 1012 1HG2 ILE 116 3HG2 ILE 116 12.657 19.309 8.662 1013 2HG2 ILE 116 1HG2 ILE 116 12.546 18.254 10.074 1014 3HG2 ILE 116 2HG2 ILE 116 13.977 18.209 9.052 1015 1HD1 ILE 116 2HD1 ILE 116 11.612 17.055 10.570 1016 2HD1 ILE 116 3HD1 ILE 116 9.898 17.458 10.472 1017 3HD1 ILE 116 1HD1 ILE 116 10.428 15.795 10.228 1018 H TYR 117 H TYR 117 14.739 17.216 7.351 1019 HA TYR 117 HA TYR 117 15.803 19.797 7.776 1020 1HB TYR 117 1HB TYR 117 16.891 17.101 7.130 1021 2HB TYR 117 2HB TYR 117 17.985 18.504 7.243 1022 HD1 TYR 117 HD2 TYR 117 15.562 16.358 9.033 1023 HD2 TYR 117 HD1 TYR 117 18.417 19.542 9.415 1024 HE1 TYR 117 HE2 TYR 117 15.464 16.146 11.500 1025 HE2 TYR 117 HE1 TYR 117 18.322 19.327 11.883 1026 HH TYR 117 HH TYR 117 17.020 16.691 13.453 1027 H ALA 118 H ALA 118 15.287 17.852 4.994 1028 HA ALA 118 HA ALA 118 16.869 19.003 3.008 1029 1HB ALA 118 1HB ALA 118 14.408 17.525 3.275 1030 2HB ALA 118 2HB ALA 118 14.250 18.729 1.988 1031 3HB ALA 118 3HB ALA 118 15.543 17.527 1.917 1032 H SER 119 H SER 119 13.775 20.073 4.377 1033 HA SER 119 HA SER 119 14.014 22.674 2.956 1034 1HB SER 119 1HB SER 119 11.820 20.996 3.767 1035 2HB SER 119 2HB SER 119 11.656 22.577 4.522 1036 HG SER 119 HG SER 119 11.492 21.833 1.873 1037 H SER 120 H SER 120 14.741 21.257 5.950 1038 HA SER 120 HA SER 120 14.145 23.544 7.661 1039 1HB SER 120 1HB SER 120 14.770 21.104 8.417 1040 2HB SER 120 2HB SER 120 16.435 21.667 8.237 1041 HG SER 120 HG SER 120 15.406 21.964 10.357 1042 H LYS 121 H LYS 121 16.648 22.580 5.528 1043 HA LYS 121 HA LYS 121 18.469 24.712 6.298 1044 1HB LYS 121 1HB LYS 121 18.535 22.398 4.578 1045 2HB LYS 121 2HB LYS 121 19.177 23.841 3.782 1046 1HG LYS 121 1HG LYS 121 20.807 24.178 5.404 1047 2HG LYS 121 2HG LYS 121 19.949 23.221 6.624 1048 1HD LYS 121 1HD LYS 121 21.934 22.026 5.643 1049 2HD LYS 121 2HD LYS 121 20.414 21.168 5.381 1050 1HE LYS 121 1HE LYS 121 20.678 22.932 3.200 1051 2HE LYS 121 2HE LYS 121 22.270 22.207 3.417 1052 1HZ LYS 121 3HZ LYS 121 19.760 20.628 3.362 1053 2HZ LYS 121 1HZ LYS 121 20.698 20.928 1.976 1054 3HZ LYS 121 2HZ LYS 121 21.354 20.049 3.269 1055 H ASP 122 H ASP 122 16.935 26.161 6.168 1056 HA ASP 122 HA ASP 122 16.852 27.969 3.999 1057 1HB ASP 122 1HB ASP 122 15.101 25.839 3.553 1058 2HB ASP 122 2HB ASP 122 14.074 27.041 4.337 1059 H ALA 123 H ALA 123 15.228 26.422 6.655 1060 HA ALA 123 HA ALA 123 14.178 28.903 7.847 1061 1HB ALA 123 2HB ALA 123 13.420 26.365 8.119 1062 2HB ALA 123 3HB ALA 123 14.662 26.367 9.377 1063 3HB ALA 123 1HB ALA 123 13.295 27.481 9.485 1064 H ILE 124 H ILE 124 16.656 26.499 8.601 1065 HA ILE 124 HA ILE 124 18.048 27.982 10.598 1066 HB ILE 124 HB ILE 124 18.255 25.547 10.257 1067 1HG1 ILE 124 1HG1 ILE 124 20.957 26.643 9.681 1068 2HG1 ILE 124 2HG1 ILE 124 20.107 27.257 11.099 1069 1HG2 ILE 124 3HG2 ILE 124 18.173 25.819 7.733 1070 2HG2 ILE 124 1HG2 ILE 124 19.881 26.265 7.824 1071 3HG2 ILE 124 2HG2 ILE 124 19.359 24.660 8.344 1072 1HD1 ILE 124 3HD1 ILE 124 20.252 24.303 10.588 1073 2HD1 ILE 124 1HD1 ILE 124 21.609 25.155 11.353 1074 3HD1 ILE 124 2HD1 ILE 124 20.025 25.165 12.129 1075 H LYS 125 H LYS 125 18.346 27.544 7.120 1076 HA LYS 125 HA LYS 125 20.681 29.038 6.598 1077 1HB LYS 125 1HB LYS 125 18.362 28.041 5.134 1078 2HB LYS 125 2HB LYS 125 18.988 29.550 4.465 1079 1HG LYS 125 1HG LYS 125 20.151 27.704 3.415 1080 2HG LYS 125 2HG LYS 125 21.275 28.535 4.486 1081 1HD LYS 125 1HD LYS 125 19.875 26.519 5.977 1082 2HD LYS 125 2HD LYS 125 20.564 25.793 4.524 1083 1HE LYS 125 1HE LYS 125 22.315 27.690 5.989 1084 2HE LYS 125 2HE LYS 125 21.988 26.157 6.793 1085 1HZ LYS 125 3HZ LYS 125 22.938 26.410 3.992 1086 2HZ LYS 125 1HZ LYS 125 23.950 26.098 5.321 1087 3HZ LYS 125 2HZ LYS 125 22.761 24.973 4.882 1088 H LYS 126 H LYS 126 17.324 30.120 7.073 1089 HA LYS 126 HA LYS 126 17.593 32.785 6.182 1090 1HB LYS 126 1HB LYS 126 15.445 32.808 6.851 1091 2HB LYS 126 2HB LYS 126 15.693 31.299 7.731 1092 1HG LYS 126 1HG LYS 126 16.415 32.486 9.706 1093 2HG LYS 126 2HG LYS 126 16.451 34.019 8.836 1094 1HD LYS 126 1HD LYS 126 14.398 33.561 10.325 1095 2HD LYS 126 2HD LYS 126 14.095 34.124 8.683 1096 1HE LYS 126 1HE LYS 126 13.271 32.089 7.988 1097 2HE LYS 126 2HE LYS 126 14.288 31.177 9.101 1098 1HZ LYS 126 2HZ LYS 126 12.821 32.364 10.875 1099 2HZ LYS 126 3HZ LYS 126 11.716 32.504 9.591 1100 3HZ LYS 126 1HZ LYS 126 12.252 30.971 10.091 1101 H LYS 127 H LYS 127 18.964 31.269 8.902 1102 HA LYS 127 HA LYS 127 19.987 33.889 9.870 1103 1HB LYS 127 1HB LYS 127 19.183 31.409 11.407 1104 2HB LYS 127 2HB LYS 127 20.269 32.616 12.095 1105 1HG LYS 127 1HG LYS 127 17.562 33.322 10.940 1106 2HG LYS 127 2HG LYS 127 17.803 32.934 12.645 1107 1HD LYS 127 1HD LYS 127 18.964 34.872 13.067 1108 2HD LYS 127 2HD LYS 127 19.648 34.940 11.442 1109 1HE LYS 127 1HE LYS 127 17.994 36.296 10.731 1110 2HE LYS 127 2HE LYS 127 16.760 35.200 11.355 1111 1HZ LYS 127 3HZ LYS 127 18.278 37.164 12.982 1112 2HZ LYS 127 1HZ LYS 127 16.691 37.384 12.419 1113 3HZ LYS 127 2HZ LYS 127 17.029 36.153 13.535 1114 H PHE 128 H PHE 128 20.622 30.855 8.495 1115 HA PHE 128 HA PHE 128 23.417 30.785 9.462 1116 1HB PHE 128 1HB PHE 128 21.585 28.888 8.091 1117 2HB PHE 128 2HB PHE 128 23.309 28.723 7.759 1118 HD1 PHE 128 HD2 PHE 128 22.076 30.278 10.780 1119 HD2 PHE 128 HD1 PHE 128 23.524 26.603 9.073 1120 HE1 PHE 128 HE2 PHE 128 22.349 29.345 13.038 1121 HE2 PHE 128 HE1 PHE 128 23.777 25.671 11.353 1122 HZ PHE 128 HZ PHE 128 23.183 27.036 13.345 1123 H GLN 129 H GLN 129 22.795 32.953 8.153 1124 HA GLN 129 HA GLN 129 23.273 32.943 5.317 1125 1HB GLN 129 1HB GLN 129 24.035 35.258 7.087 1126 2HB GLN 129 2HB GLN 129 23.340 35.285 5.465 1127 1HG GLN 129 1HG GLN 129 21.826 34.149 7.828 1128 2HG GLN 129 2HG GLN 129 21.748 35.859 7.401 1129 1HE2 GLN 129 2HE2 GLN 129 18.985 34.794 5.396 1130 2HE2 GLN 129 1HE2 GLN 129 19.422 35.533 6.861 1131 H GLY 130 H GLY 130 25.364 32.986 8.130 1132 1HA GLY 130 1HA GLY 130 27.728 32.728 6.308 1133 2HA GLY 130 2HA GLY 130 27.817 33.676 7.799 1134 H ILE 131 H ILE 131 26.496 30.492 6.923 1135 HA ILE 131 HA ILE 131 26.799 29.195 9.339 1136 HB ILE 131 HB ILE 131 26.177 28.579 6.647 1137 1HG1 ILE 131 1HG1 ILE 131 24.662 28.113 8.376 1138 2HG1 ILE 131 2HG1 ILE 131 25.182 26.556 7.733 1139 1HG2 ILE 131 2HG2 ILE 131 28.364 27.497 6.584 1140 2HG2 ILE 131 3HG2 ILE 131 27.891 26.535 7.997 1141 3HG2 ILE 131 1HG2 ILE 131 27.032 26.343 6.472 1142 1HD1 ILE 131 3HD1 ILE 131 27.051 26.738 9.504 1143 2HD1 ILE 131 1HD1 ILE 131 25.946 27.919 10.262 1144 3HD1 ILE 131 2HD1 ILE 131 25.406 26.258 10.002 1145 H LYS 132 H LYS 132 29.245 30.115 7.186 1146 HA LYS 132 HA LYS 132 31.600 29.919 7.504 1147 1HB LYS 132 1HB LYS 132 31.176 27.694 9.495 1148 2HB LYS 132 2HB LYS 132 32.539 28.799 9.352 1149 1HG LYS 132 1HG LYS 132 29.804 29.342 10.480 1150 2HG LYS 132 2HG LYS 132 31.367 29.573 11.246 1151 1HD LYS 132 1HD LYS 132 30.420 31.128 8.832 1152 2HD LYS 132 2HD LYS 132 30.315 31.717 10.489 1153 1HE LYS 132 1HE LYS 132 32.631 31.915 10.707 1154 2HE LYS 132 2HE LYS 132 32.950 30.734 9.437 1155 1HZ LYS 132 2HZ LYS 132 31.587 32.666 8.134 1156 2HZ LYS 132 3HZ LYS 132 32.507 33.570 9.241 1157 3HZ LYS 132 1HZ LYS 132 33.277 32.511 8.155 1158 H HIS 133 H HIS 133 29.650 26.962 7.939 1159 HA HIS 133 HA HIS 133 30.823 25.998 5.372 1160 1HB HIS 133 1HB HIS 133 31.611 24.955 7.999 1161 2HB HIS 133 2HB HIS 133 31.255 23.745 6.769 1162 HD1 HIS 133 HD1 HIS 133 32.280 25.239 4.273 1163 HD2 HIS 133 HD2 HIS 133 34.348 25.062 7.876 1164 HE1 HIS 133 HE1 HIS 133 34.704 25.720 3.720 1165 H GLU 134 H GLU 134 28.707 25.747 4.501 1166 HA GLU 134 HA GLU 134 26.807 24.075 5.950 1167 1HB GLU 134 1HB GLU 134 25.410 25.057 4.544 1168 2HB GLU 134 2HB GLU 134 26.717 25.616 3.501 1169 1HG GLU 134 1HG GLU 134 26.748 23.553 2.293 1170 2HG GLU 134 2HG GLU 134 25.752 22.751 3.512 1171 H CYS 135 H CYS 135 27.405 22.053 6.213 1172 HA CYS 135 HA CYS 135 28.905 20.705 4.014 1173 1HB CYS 135 1HB CYS 135 30.169 20.741 6.067 1174 2HB CYS 135 2HB CYS 135 28.801 20.098 6.978 1175 HG CYS 135 HG CYS 135 30.247 18.035 6.450 1176 H GLN 136 H GLN 136 27.526 18.763 6.497 1177 HA GLN 136 HA GLN 136 25.349 17.618 6.399 1178 1HB GLN 136 1HB GLN 136 24.650 18.453 4.178 1179 2HB GLN 136 2HB GLN 136 25.920 17.491 3.422 1180 1HG GLN 136 1HG GLN 136 24.904 15.466 3.970 1181 2HG GLN 136 2HG GLN 136 23.976 16.182 5.281 1182 1HE2 GLN 136 2HE2 GLN 136 21.263 17.112 3.233 1183 2HE2 GLN 136 1HE2 GLN 136 22.006 17.366 4.723 1184 H ALA 137 H ALA 137 25.208 15.298 6.353 1185 HA ALA 137 HA ALA 137 27.509 13.800 5.371 1186 1HB ALA 137 2HB ALA 137 27.863 14.857 7.836 1187 2HB ALA 137 3HB ALA 137 27.063 13.341 8.247 1188 3HB ALA 137 1HB ALA 137 28.562 13.321 7.325 1189 H ASN 138 H ASN 138 26.512 12.165 4.438 1190 HA ASN 138 HA ASN 138 24.153 11.001 5.805 1191 1HB ASN 138 1HB ASN 138 25.114 10.751 2.960 1192 2HB ASN 138 2HB ASN 138 23.750 9.842 3.629 1193 1HD2 ASN 138 2HD2 ASN 138 23.255 13.970 3.531 1194 2HD2 ASN 138 1HD2 ASN 138 24.779 13.330 3.915 1195 H GLY 139 H GLY 139 26.361 10.734 6.965 1196 1HA GLY 139 1HA GLY 139 26.830 8.168 7.707 1197 2HA GLY 139 2HA GLY 139 27.954 8.420 6.344 1198 HA PRO 140 HA PRO 140 28.996 11.009 10.203 1199 1HB PRO 140 1HB PRO 140 30.642 9.248 11.588 1200 2HB PRO 140 2HB PRO 140 28.924 9.504 11.946 1201 1HG PRO 140 1HG PRO 140 30.229 7.239 10.479 1202 2HG PRO 140 2HG PRO 140 28.781 7.225 11.503 1203 1HD PRO 140 1HD PRO 140 28.713 7.211 8.713 1204 2HD PRO 140 2HD PRO 140 27.377 7.790 9.731 1205 H GLU 141 H GLU 141 30.331 9.320 7.640 1206 HA GLU 141 HA GLU 141 33.149 10.071 8.004 1207 1HB GLU 141 1HB GLU 141 33.389 8.264 6.683 1208 2HB GLU 141 2HB GLU 141 31.635 8.179 6.451 1209 1HG GLU 141 1HG GLU 141 31.759 9.866 4.694 1210 2HG GLU 141 2HG GLU 141 33.500 10.013 4.936 1211 H ASP 142 H ASP 142 30.281 11.256 6.312 1212 HA ASP 142 HA ASP 142 31.736 12.921 4.447 1213 1HB ASP 142 1HB ASP 142 28.957 12.681 5.440 1214 2HB ASP 142 2HB ASP 142 29.421 14.307 4.933 1215 H LEU 143 H LEU 143 31.035 12.967 7.784 1216 HA LEU 143 HA LEU 143 31.552 15.766 8.327 1217 1HB LEU 143 1HB LEU 143 31.336 13.266 10.004 1218 2HB LEU 143 2HB LEU 143 31.693 14.840 10.695 1219 HG LEU 143 HG LEU 143 29.462 15.235 9.027 1220 1HD1 LEU 143 3HD1 LEU 143 29.209 12.764 9.069 1221 2HD1 LEU 143 1HD1 LEU 143 29.178 12.811 10.832 1222 3HD1 LEU 143 2HD1 LEU 143 27.879 13.570 9.911 1223 1HD2 LEU 143 3HD2 LEU 143 29.751 14.922 12.032 1224 2HD2 LEU 143 1HD2 LEU 143 29.970 16.410 11.123 1225 3HD2 LEU 143 2HD2 LEU 143 28.374 15.675 11.227 1226 H ASN 144 H ASN 144 33.264 12.896 7.867 1227 HA ASN 144 HA ASN 144 35.492 12.705 9.226 1228 1HB ASN 144 1HB ASN 144 35.063 11.474 7.141 1229 2HB ASN 144 2HB ASN 144 35.468 12.919 6.216 1230 1HD2 ASN 144 2HD2 ASN 144 38.528 11.524 8.485 1231 2HD2 ASN 144 1HD2 ASN 144 36.971 11.677 9.153 1232 H ARG 145 H ARG 145 37.178 13.886 9.743 1233 HA ARG 145 HA ARG 145 37.206 16.705 9.188 1234 1HB ARG 145 1HB ARG 145 39.635 16.439 10.199 1235 2HB ARG 145 2HB ARG 145 38.206 16.339 11.220 1236 1HG ARG 145 1HG ARG 145 38.644 14.192 11.762 1237 2HG ARG 145 2HG ARG 145 38.853 13.746 10.058 1238 1HD ARG 145 1HD ARG 145 41.145 14.311 10.076 1239 2HD ARG 145 2HD ARG 145 40.992 15.253 11.560 1240 HE ARG 145 HE ARG 145 40.608 13.050 12.737 1241 1HH1 ARG 145 1HH1 ARG 145 41.097 12.455 9.473 1242 2HH1 ARG 145 2HH1 ARG 145 42.335 11.264 9.693 1243 1HH2 ARG 145 1HH2 ARG 145 42.617 11.807 13.106 1244 2HH2 ARG 145 2HH2 ARG 145 43.198 10.898 11.750 1245 H ALA 146 H ALA 146 38.590 13.975 7.626 1246 HA ALA 146 HA ALA 146 40.664 15.385 6.160 1247 1HB ALA 146 1HB ALA 146 40.209 12.781 6.507 1248 2HB ALA 146 2HB ALA 146 39.210 12.997 5.060 1249 3HB ALA 146 3HB ALA 146 40.941 13.365 5.010 1250 H CYS 147 H CYS 147 37.329 14.537 5.833 1251 HA CYS 147 HA CYS 147 36.947 15.622 3.133 1252 1HB CYS 147 1HB CYS 147 35.641 13.840 4.617 1253 2HB CYS 147 2HB CYS 147 34.740 15.293 5.068 1254 HG CYS 147 HG CYS 147 34.799 15.415 2.151 1255 H ILE 148 H ILE 148 36.559 16.691 6.410 1256 HA ILE 148 HA ILE 148 35.192 19.116 5.728 1257 HB ILE 148 HB ILE 148 36.736 18.109 8.114 1258 1HG1 ILE 148 1HG1 ILE 148 34.908 16.905 8.520 1259 2HG1 ILE 148 2HG1 ILE 148 34.022 18.398 8.770 1260 1HG2 ILE 148 2HG2 ILE 148 35.182 20.594 7.595 1261 2HG2 ILE 148 3HG2 ILE 148 35.462 20.010 9.235 1262 3HG2 ILE 148 1HG2 ILE 148 36.826 20.416 8.194 1263 1HD1 ILE 148 1HD1 ILE 148 33.474 18.427 6.339 1264 2HD1 ILE 148 2HD1 ILE 148 34.326 16.885 6.159 1265 3HD1 ILE 148 3HD1 ILE 148 32.868 16.965 7.145 1266 H ALA 149 H ALA 149 38.224 17.658 5.872 1267 HA ALA 149 HA ALA 149 39.897 20.076 5.679 1268 1HB ALA 149 1HB ALA 149 40.376 17.105 5.616 1269 2HB ALA 149 2HB ALA 149 41.666 18.267 5.326 1270 3HB ALA 149 3HB ALA 149 40.842 18.233 6.887 1271 H GLU 150 H GLU 150 37.802 19.137 3.838 1272 HA GLU 150 HA GLU 150 39.216 19.296 1.257 1273 1HB GLU 150 1HB GLU 150 38.378 17.261 0.819 1274 2HB GLU 150 2HB GLU 150 37.454 17.246 2.325 1275 1HG GLU 150 1HG GLU 150 35.689 18.590 1.264 1276 2HG GLU 150 2HG GLU 150 36.608 18.628 -0.243 1277 H LYS 151 H LYS 151 36.391 19.826 3.266 1278 HA LYS 151 HA LYS 151 35.064 21.623 1.410 1279 1HB LYS 151 1HB LYS 151 33.398 20.944 2.765 1280 2HB LYS 151 2HB LYS 151 34.536 20.248 3.917 1281 1HG LYS 151 1HG LYS 151 34.783 22.336 5.046 1282 2HG LYS 151 2HG LYS 151 33.896 23.197 3.785 1283 1HD LYS 151 1HD LYS 151 32.794 21.111 5.703 1284 2HD LYS 151 2HD LYS 151 32.350 22.824 5.618 1285 1HE LYS 151 1HE LYS 151 30.628 22.024 4.341 1286 2HE LYS 151 2HE LYS 151 31.837 22.088 3.060 1287 1HZ LYS 151 2HZ LYS 151 31.891 19.681 4.661 1288 2HZ LYS 151 3HZ LYS 151 30.481 19.884 3.750 1289 3HZ LYS 151 1HZ LYS 151 31.984 19.866 2.975 1290 H LEU 152 H LEU 152 37.499 21.582 3.792 1291 HA LEU 152 HA LEU 152 37.828 24.553 3.699 1292 1HB LEU 152 1HB LEU 152 38.878 22.570 5.756 1293 2HB LEU 152 2HB LEU 152 39.160 24.307 5.769 1294 HG LEU 152 HG LEU 152 36.336 23.787 5.606 1295 1HD1 LEU 152 1HD1 LEU 152 37.870 21.923 7.186 1296 2HD1 LEU 152 2HD1 LEU 152 36.862 22.915 8.245 1297 3HD1 LEU 152 3HD1 LEU 152 36.124 21.989 6.936 1298 1HD2 LEU 152 2HD2 LEU 152 38.140 24.974 7.745 1299 2HD2 LEU 152 3HD2 LEU 152 37.389 25.862 6.420 1300 3HD2 LEU 152 1HD2 LEU 152 36.386 25.157 7.689 1301 H GLY 153 H GLY 153 39.297 21.331 3.716 1302 1HA GLY 153 1HA GLY 153 41.917 22.307 2.852 1303 2HA GLY 153 2HA GLY 153 41.445 20.653 3.138 1304 H GLY 154 H GLY 154 39.116 21.899 1.362 1305 1HA GLY 154 1HA GLY 154 40.381 20.970 -1.194 1306 2HA GLY 154 2HA GLY 154 38.641 20.953 -0.901 1307 H SER 155 H SER 155 40.421 23.585 0.341 1308 HA SER 155 HA SER 155 39.795 25.319 -1.966 1309 1HB SER 155 1HB SER 155 38.097 25.157 0.225 1310 2HB SER 155 2HB SER 155 39.098 26.558 0.585 1311 HG SER 155 HG SER 155 37.068 26.541 -0.974 1312 H LEU 156 H LEU 156 40.671 26.153 1.377 1313 HA LEU 156 HA LEU 156 43.469 26.663 0.593 1314 1HB LEU 156 1HB LEU 156 42.009 29.006 1.710 1315 2HB LEU 156 2HB LEU 156 43.455 28.966 0.706 1316 HG LEU 156 HG LEU 156 41.904 28.024 -1.118 1317 1HD1 LEU 156 2HD1 LEU 156 40.044 28.122 0.927 1318 2HD1 LEU 156 3HD1 LEU 156 39.648 29.513 -0.082 1319 3HD1 LEU 156 1HD1 LEU 156 39.701 27.896 -0.792 1320 1HD2 LEU 156 2HD2 LEU 156 42.005 30.835 -0.109 1321 2HD2 LEU 156 3HD2 LEU 156 42.737 30.150 -1.560 1322 3HD2 LEU 156 1HD2 LEU 156 41.002 30.458 -1.509 1323 H ILE 157 H ILE 157 43.144 24.935 2.664 1324 HA ILE 157 HA ILE 157 43.396 26.759 4.998 1325 HB ILE 157 HB ILE 157 43.018 24.733 6.393 1326 1HG1 ILE 157 1HG1 ILE 157 42.159 23.581 3.737 1327 2HG1 ILE 157 2HG1 ILE 157 43.576 23.040 4.670 1328 1HG2 ILE 157 1HG2 ILE 157 41.266 26.468 5.207 1329 2HG2 ILE 157 2HG2 ILE 157 40.605 24.908 4.722 1330 3HG2 ILE 157 3HG2 ILE 157 40.825 25.278 6.432 1331 1HD1 ILE 157 3HD1 ILE 157 41.666 23.095 6.570 1332 2HD1 ILE 157 1HD1 ILE 157 40.714 22.608 5.155 1333 3HD1 ILE 157 2HD1 ILE 157 42.106 21.647 5.656 1334 H VAL 158 H VAL 158 44.657 24.104 6.141 1335 HA VAL 158 HA VAL 158 47.211 23.869 4.887 1336 HB VAL 158 HB VAL 158 46.868 25.889 7.079 1337 1HG1 VAL 158 2HG1 VAL 158 49.182 23.988 6.729 1338 2HG1 VAL 158 3HG1 VAL 158 49.414 25.590 7.433 1339 3HG1 VAL 158 1HG1 VAL 158 48.337 24.431 8.212 1340 1HG2 VAL 158 3HG2 VAL 158 48.306 25.640 4.461 1341 2HG2 VAL 158 1HG2 VAL 158 47.310 26.960 5.074 1342 3HG2 VAL 158 2HG2 VAL 158 48.951 26.742 5.677 1343 H ALA 159 H ALA 159 45.161 23.682 7.665 1344 HA ALA 159 HA ALA 159 46.386 21.084 8.447 1345 1HB ALA 159 3HB ALA 159 45.296 23.329 10.131 1346 2HB ALA 159 1HB ALA 159 45.408 21.680 10.740 1347 3HB ALA 159 2HB ALA 159 46.869 22.541 10.260 1348 H PHE 160 H PHE 160 44.886 19.545 9.088 1349 HA PHE 160 HA PHE 160 42.710 18.561 9.252 1350 1HB PHE 160 1HB PHE 160 41.924 21.256 8.819 1351 2HB PHE 160 2HB PHE 160 41.227 20.326 7.491 1352 HD1 PHE 160 HD1 PHE 160 41.949 19.676 11.086 1353 HD2 PHE 160 HD2 PHE 160 39.041 19.701 7.949 1354 HE1 PHE 160 HE1 PHE 160 40.245 18.810 12.677 1355 HE2 PHE 160 HE2 PHE 160 37.321 18.830 9.536 1356 HZ PHE 160 HZ PHE 160 37.929 18.385 11.893 1357 H GLU 161 H GLU 161 43.709 20.469 6.534 1358 HA GLU 161 HA GLU 161 43.499 18.184 4.662 1359 1HB GLU 161 1HB GLU 161 42.659 20.652 4.210 1360 2HB GLU 161 2HB GLU 161 44.358 20.968 3.907 1361 1HG GLU 161 1HG GLU 161 43.788 18.563 2.549 1362 2HG GLU 161 2HG GLU 161 42.449 19.645 2.178 1363 H GLY 162 H GLY 162 45.680 20.120 6.587 1364 1HA GLY 162 1HA GLY 162 47.955 18.861 5.088 1365 2HA GLY 162 2HA GLY 162 48.045 20.494 5.712 1366 H CYS 163 H CYS 163 48.017 20.710 8.156 1367 HA CYS 163 HA CYS 163 49.952 19.045 9.286 1368 1HB CYS 163 1HB CYS 163 49.839 21.143 10.234 1369 2HB CYS 163 2HB CYS 163 48.107 21.049 10.497 1370 HG CYS 163 HG CYS 163 49.070 20.530 12.815 1371 HA PRO 164 HA PRO 164 47.032 16.571 12.013 1372 1HB PRO 164 1HB PRO 164 44.344 17.182 11.940 1373 2HB PRO 164 2HB PRO 164 45.486 17.849 13.124 1374 1HG PRO 164 1HG PRO 164 44.312 19.130 10.696 1375 2HG PRO 164 2HG PRO 164 44.812 19.876 12.218 1376 1HD PRO 164 1HD PRO 164 46.357 19.994 9.891 1377 2HD PRO 164 2HD PRO 164 46.993 20.147 11.528 1378 H VAL 165 H VAL 165 45.501 17.639 8.974 1379 HA VAL 165 HA VAL 165 45.601 14.832 8.055 1380 HB VAL 165 HB VAL 165 43.015 15.443 7.243 1381 1HG1 VAL 165 3HG1 VAL 165 43.941 13.267 8.004 1382 2HG1 VAL 165 1HG1 VAL 165 43.861 13.840 9.670 1383 3HG1 VAL 165 2HG1 VAL 165 42.379 13.629 8.740 1384 1HG2 VAL 165 3HG2 VAL 165 43.536 16.973 9.635 1385 2HG2 VAL 165 1HG2 VAL 165 42.034 16.818 8.734 1386 3HG2 VAL 165 2HG2 VAL 165 42.415 15.674 10.015 No H/Q in entry = 1386 Start of MODEL 9 1 1H THR -8 2H THR -8 -8.889 8.679 -1.986 2 2H THR -8 3H THR -8 -8.176 7.509 -0.986 3 3H THR -8 1H THR -8 -8.745 8.965 -0.318 4 HA THR -8 HA THR -8 -6.427 9.211 -0.433 5 HB THR -8 HB THR -8 -5.826 8.922 -3.179 6 HG1 THR -8 HG1 THR -8 -6.463 6.477 -2.947 7 1HG2 THR -8 3HG2 THR -8 -5.208 7.487 -0.625 8 2HG2 THR -8 1HG2 THR -8 -4.676 6.776 -2.148 9 3HG2 THR -8 2HG2 THR -8 -4.127 8.388 -1.689 10 H MET -7 H MET -7 -5.310 10.602 -2.685 11 HA MET -7 HA MET -7 -5.530 12.585 -3.951 12 1HB MET -7 1HB MET -7 -8.045 11.748 -4.105 13 2HB MET -7 2HB MET -7 -8.313 13.062 -2.961 14 1HG MET -7 1HG MET -7 -8.473 14.334 -4.851 15 2HG MET -7 2HG MET -7 -6.713 14.310 -4.772 16 1HE MET -7 1HE MET -7 -8.353 15.046 -6.890 17 2HE MET -7 2HE MET -7 -7.690 14.304 -8.354 18 3HE MET -7 3HE MET -7 -9.283 13.836 -7.769 19 H ILE -6 H ILE -6 -7.258 12.685 -0.805 20 HA ILE -6 HA ILE -6 -6.117 15.359 -0.302 21 HB ILE -6 HB ILE -6 -7.715 13.777 1.699 22 1HG1 ILE -6 1HG1 ILE -6 -9.583 15.278 0.326 23 2HG1 ILE -6 2HG1 ILE -6 -8.569 14.659 -0.978 24 1HG2 ILE -6 2HG2 ILE -6 -7.255 16.676 1.005 25 2HG2 ILE -6 3HG2 ILE -6 -8.633 16.184 1.988 26 3HG2 ILE -6 1HG2 ILE -6 -6.993 15.859 2.546 27 1HD1 ILE -6 3HD1 ILE -6 -8.885 12.458 0.690 28 2HD1 ILE -6 1HD1 ILE -6 -10.468 13.235 0.732 29 3HD1 ILE -6 2HD1 ILE -6 -9.766 12.748 -0.811 30 H THR -5 H THR -5 -4.628 15.787 1.375 31 HA THR -5 HA THR -5 -3.604 13.550 2.997 32 HB THR -5 HB THR -5 -2.010 14.903 0.826 33 HG1 THR -5 HG1 THR -5 -1.365 12.414 1.150 34 1HG2 THR -5 1HG2 THR -5 -1.082 13.804 3.461 35 2HG2 THR -5 2HG2 THR -5 -0.054 13.644 2.036 36 3HG2 THR -5 3HG2 THR -5 -0.535 15.245 2.603 37 HA PRO -4 HA PRO -4 -3.367 17.444 5.321 38 1HB PRO -4 1HB PRO -4 -4.025 16.273 7.718 39 2HB PRO -4 2HB PRO -4 -5.233 16.816 6.539 40 1HG PRO -4 1HG PRO -4 -4.372 14.040 7.196 41 2HG PRO -4 2HG PRO -4 -5.911 14.609 6.529 42 1HD PRO -4 1HD PRO -4 -3.794 13.399 5.068 43 2HD PRO -4 2HD PRO -4 -5.211 14.221 4.380 44 H SER -3 H SER -3 -1.794 18.033 7.068 45 HA SER -3 HA SER -3 0.159 15.910 7.767 46 1HB SER -3 1HB SER -3 1.022 18.529 6.517 47 2HB SER -3 2HB SER -3 2.056 17.179 6.969 48 HG SER -3 HG SER -3 0.659 17.582 4.705 49 H SER -2 H SER -2 1.917 16.957 9.268 50 HA SER -2 HA SER -2 0.452 18.690 11.204 51 1HB SER -2 1HB SER -2 1.272 16.437 11.978 52 2HB SER -2 2HB SER -2 2.918 16.994 11.694 53 HG SER -2 HG SER -2 1.216 17.531 13.750 54 H GLY -1 H GLY -1 3.739 18.651 11.951 55 1HA GLY -1 1HA GLY -1 4.152 21.197 10.440 56 2HA GLY -1 2HA GLY -1 4.666 21.007 12.117 57 H ASN 0 H ASN 0 5.583 18.216 11.662 58 HA ASN 0 HA ASN 0 8.118 18.917 10.251 59 1HB ASN 0 1HB ASN 0 8.782 16.645 11.480 60 2HB ASN 0 2HB ASN 0 8.834 18.197 12.319 61 1HD2 ASN 0 2HD2 ASN 0 6.139 15.373 13.462 62 2HD2 ASN 0 1HD2 ASN 0 7.230 15.087 12.193 63 H SER 1 H SER 1 5.272 17.127 9.887 64 HA SER 1 HA SER 1 6.383 14.905 8.370 65 1HB SER 1 1HB SER 1 3.741 15.834 9.206 66 2HB SER 1 2HB SER 1 3.738 15.205 7.562 67 HG SER 1 HG SER 1 5.191 13.748 9.409 68 H ALA 2 H ALA 2 6.235 18.152 7.735 69 HA ALA 2 HA ALA 2 6.303 17.649 4.799 70 1HB ALA 2 3HB ALA 2 4.267 19.052 6.145 71 2HB ALA 2 1HB ALA 2 5.291 20.296 5.428 72 3HB ALA 2 2HB ALA 2 4.574 19.049 4.408 73 H SER 3 H SER 3 8.334 18.086 7.010 74 HA SER 3 HA SER 3 10.332 19.285 7.304 75 1HB SER 3 1HB SER 3 10.151 20.495 4.596 76 2HB SER 3 2HB SER 3 11.493 19.644 5.362 77 HG SER 3 HG SER 3 9.181 18.601 4.110 78 H GLY 4 H GLY 4 7.893 20.559 8.103 79 1HA GLY 4 1HA GLY 4 8.202 23.376 7.255 80 2HA GLY 4 2HA GLY 4 6.882 22.739 8.234 81 H VAL 5 H VAL 5 10.105 21.816 9.109 82 HA VAL 5 HA VAL 5 10.050 22.532 11.780 83 HB VAL 5 HB VAL 5 12.590 23.344 10.559 84 1HG1 VAL 5 1HG1 VAL 5 11.672 21.360 12.628 85 2HG1 VAL 5 2HG1 VAL 5 13.363 21.531 12.152 86 3HG1 VAL 5 3HG1 VAL 5 12.509 22.894 12.881 87 1HG2 VAL 5 2HG2 VAL 5 11.439 20.578 10.069 88 2HG2 VAL 5 3HG2 VAL 5 11.995 21.727 8.847 89 3HG2 VAL 5 1HG2 VAL 5 13.157 20.962 9.931 90 H GLN 6 H GLN 6 10.372 24.362 12.974 91 HA GLN 6 HA GLN 6 10.255 26.897 11.438 92 1HB GLN 6 1HB GLN 6 9.221 27.790 13.572 93 2HB GLN 6 2HB GLN 6 8.275 26.581 12.697 94 1HG GLN 6 1HG GLN 6 10.053 25.178 14.361 95 2HG GLN 6 2HG GLN 6 9.312 26.435 15.352 96 1HE2 GLN 6 2HE2 GLN 6 6.858 23.637 13.634 97 2HE2 GLN 6 1HE2 GLN 6 8.327 24.009 12.882 98 H VAL 7 H VAL 7 12.821 25.476 12.392 99 HA VAL 7 HA VAL 7 14.643 25.969 13.919 100 HB VAL 7 HB VAL 7 15.815 26.924 12.275 101 1HG1 VAL 7 1HG1 VAL 7 13.800 26.670 10.850 102 2HG1 VAL 7 2HG1 VAL 7 13.248 28.264 11.366 103 3HG1 VAL 7 3HG1 VAL 7 14.726 28.106 10.417 104 1HG2 VAL 7 1HG2 VAL 7 15.854 28.812 13.927 105 2HG2 VAL 7 2HG2 VAL 7 15.984 29.364 12.248 106 3HG2 VAL 7 3HG2 VAL 7 14.451 29.510 13.095 107 H ALA 8 H ALA 8 14.937 26.470 15.732 108 HA ALA 8 HA ALA 8 13.450 28.328 17.337 109 1HB ALA 8 2HB ALA 8 15.335 26.231 17.554 110 2HB ALA 8 3HB ALA 8 16.078 27.641 18.315 111 3HB ALA 8 1HB ALA 8 14.511 27.049 18.894 112 H ASP 9 H ASP 9 14.535 30.317 18.334 113 HA ASP 9 HA ASP 9 16.145 31.697 16.327 114 1HB ASP 9 1HB ASP 9 16.230 32.694 19.101 115 2HB ASP 9 2HB ASP 9 15.916 33.559 17.603 116 H GLU 10 H GLU 10 16.664 29.556 18.950 117 HA GLU 10 HA GLU 10 19.304 30.270 19.711 118 1HB GLU 10 1HB GLU 10 18.568 28.660 21.155 119 2HB GLU 10 2HB GLU 10 17.562 27.884 19.932 120 1HG GLU 10 1HG GLU 10 19.381 26.682 19.028 121 2HG GLU 10 2HG GLU 10 20.569 27.719 19.820 122 H VAL 11 H VAL 11 18.028 29.064 16.755 123 HA VAL 11 HA VAL 11 20.401 27.610 15.880 124 HB VAL 11 HB VAL 11 18.114 27.438 14.826 125 1HG1 VAL 11 2HG1 VAL 11 18.881 30.160 13.759 126 2HG1 VAL 11 3HG1 VAL 11 17.526 29.199 13.207 127 3HG1 VAL 11 1HG1 VAL 11 17.552 29.807 14.854 128 1HG2 VAL 11 3HG2 VAL 11 20.487 27.022 13.717 129 2HG2 VAL 11 1HG2 VAL 11 19.010 26.917 12.760 130 3HG2 VAL 11 2HG2 VAL 11 19.990 28.379 12.705 131 H CYS 12 H CYS 12 19.217 30.972 15.628 132 HA CYS 12 HA CYS 12 21.565 31.872 14.153 133 1HB CYS 12 1HB CYS 12 19.349 33.102 14.204 134 2HB CYS 12 2HB CYS 12 19.686 33.523 15.881 135 HG CYS 12 HG CYS 12 21.917 34.326 13.926 136 H ARG 13 H ARG 13 21.230 30.700 17.241 137 HA ARG 13 HA ARG 13 23.374 32.480 18.305 138 1HB ARG 13 1HB ARG 13 21.396 30.666 19.724 139 2HB ARG 13 2HB ARG 13 22.745 31.469 20.531 140 1HG ARG 13 1HG ARG 13 21.072 33.252 18.872 141 2HG ARG 13 2HG ARG 13 20.245 32.555 20.267 142 1HD ARG 13 1HD ARG 13 22.995 33.720 20.600 143 2HD ARG 13 2HD ARG 13 21.592 34.788 20.564 144 HE ARG 13 HE ARG 13 21.392 32.521 22.430 145 1HH1 ARG 13 1HH2 ARG 13 20.686 35.712 22.018 146 2HH1 ARG 13 2HH2 ARG 13 21.181 36.239 23.591 147 1HH2 ARG 13 1HH1 ARG 13 22.709 33.237 24.405 148 2HH2 ARG 13 2HH1 ARG 13 22.328 34.838 24.943 149 H ILE 14 H ILE 14 22.579 29.340 17.169 150 HA ILE 14 HA ILE 14 24.639 27.906 18.576 151 HB ILE 14 HB ILE 14 23.164 27.336 15.986 152 1HG1 ILE 14 1HG1 ILE 14 22.922 25.704 18.490 153 2HG1 ILE 14 2HG1 ILE 14 22.109 27.266 18.433 154 1HG2 ILE 14 2HG2 ILE 14 25.593 26.180 17.029 155 2HG2 ILE 14 3HG2 ILE 14 24.297 24.978 17.150 156 3HG2 ILE 14 1HG2 ILE 14 24.684 25.699 15.595 157 1HD1 ILE 14 1HD1 ILE 14 21.619 25.921 15.937 158 2HD1 ILE 14 2HD1 ILE 14 21.262 24.808 17.260 159 3HD1 ILE 14 3HD1 ILE 14 20.457 26.367 17.194 160 H PHE 15 H PHE 15 24.420 29.328 15.323 161 HA PHE 15 HA PHE 15 27.164 28.802 14.619 162 1HB PHE 15 1HB PHE 15 26.250 29.551 12.677 163 2HB PHE 15 2HB PHE 15 24.863 30.223 13.540 164 HD1 PHE 15 HD2 PHE 15 28.531 30.967 13.119 165 HD2 PHE 15 HD1 PHE 15 24.515 32.455 13.345 166 HE1 PHE 15 HE2 PHE 15 29.359 33.269 12.717 167 HE2 PHE 15 HE1 PHE 15 25.338 34.739 12.945 168 HZ PHE 15 HZ PHE 15 27.759 35.164 12.624 169 H TYR 16 H TYR 16 25.442 31.553 15.967 170 HA TYR 16 HA TYR 16 27.393 33.444 16.604 171 1HB TYR 16 1HB TYR 16 25.010 32.316 18.017 172 2HB TYR 16 2HB TYR 16 25.981 33.540 18.811 173 HD1 TYR 16 HD1 TYR 16 26.145 34.137 15.340 174 HD2 TYR 16 HD2 TYR 16 23.552 34.533 18.733 175 HE1 TYR 16 HE1 TYR 16 24.856 35.907 14.166 176 HE2 TYR 16 HE2 TYR 16 22.267 36.277 17.562 177 HH TYR 16 HH TYR 16 22.694 36.945 14.207 178 H ASP 17 H ASP 17 26.904 30.247 17.988 179 HA ASP 17 HA ASP 17 28.004 30.767 20.585 180 1HB ASP 17 1HB ASP 17 26.907 28.575 19.220 181 2HB ASP 17 2HB ASP 17 28.517 28.053 19.715 182 H MET 18 H MET 18 29.512 30.031 17.569 183 HA MET 18 HA MET 18 32.031 29.212 18.634 184 1HB MET 18 1HB MET 18 30.907 29.837 16.025 185 2HB MET 18 2HB MET 18 32.641 29.532 16.199 186 1HG MET 18 1HG MET 18 31.546 27.408 15.824 187 2HG MET 18 2HG MET 18 32.080 27.461 17.486 188 1HE MET 18 3HE MET 18 30.427 25.485 16.577 189 2HE MET 18 1HE MET 18 30.532 25.657 18.332 190 3HE MET 18 2HE MET 18 28.964 25.380 17.562 191 H LYS 19 H LYS 19 31.146 32.124 16.746 192 HA LYS 19 HA LYS 19 33.469 33.400 16.375 193 1HB LYS 19 1HB LYS 19 30.762 34.344 16.884 194 2HB LYS 19 2HB LYS 19 31.987 35.522 17.355 195 1HG LYS 19 1HG LYS 19 32.050 36.083 15.166 196 2HG LYS 19 2HG LYS 19 32.969 34.591 14.956 197 1HD LYS 19 1HD LYS 19 30.740 33.398 14.686 198 2HD LYS 19 2HD LYS 19 29.995 34.994 14.591 199 1HE LYS 19 1HE LYS 19 31.678 33.581 12.610 200 2HE LYS 19 2HE LYS 19 30.418 34.790 12.362 201 1HZ LYS 19 3HZ LYS 19 31.999 36.474 13.197 202 2HZ LYS 19 1HZ LYS 19 33.209 35.282 13.246 203 3HZ LYS 19 2HZ LYS 19 32.518 35.725 11.762 204 H VAL 20 H VAL 20 32.007 35.050 19.051 205 HA VAL 20 HA VAL 20 33.772 34.250 21.101 206 HB VAL 20 HB VAL 20 35.516 34.933 19.730 207 1HG1 VAL 20 1HG1 VAL 20 33.662 37.172 19.043 208 2HG1 VAL 20 2HG1 VAL 20 35.396 37.363 18.775 209 3HG1 VAL 20 3HG1 VAL 20 34.515 36.062 17.966 210 1HG2 VAL 20 1HG2 VAL 20 35.070 36.169 22.138 211 2HG2 VAL 20 2HG2 VAL 20 36.567 36.335 21.216 212 3HG2 VAL 20 3HG2 VAL 20 35.301 37.554 21.071 213 H ARG 21 H ARG 21 31.816 36.780 19.738 214 HA ARG 21 HA ARG 21 31.896 38.526 22.027 215 1HB ARG 21 1HB ARG 21 30.393 38.365 19.514 216 2HB ARG 21 2HB ARG 21 29.448 39.016 20.855 217 1HG ARG 21 1HG ARG 21 32.121 40.121 20.901 218 2HG ARG 21 2HG ARG 21 31.382 40.384 19.321 219 1HD ARG 21 1HD ARG 21 29.708 41.715 20.169 220 2HD ARG 21 2HD ARG 21 29.691 40.883 21.724 221 HE ARG 21 HE ARG 21 31.470 43.117 20.972 222 1HH1 ARG 21 1HH1 ARG 21 29.805 41.715 23.464 223 2HH1 ARG 21 2HH1 ARG 21 31.060 41.857 24.649 224 1HH2 ARG 21 1HH2 ARG 21 33.485 42.782 22.348 225 2HH2 ARG 21 2HH2 ARG 21 33.144 42.461 24.016 226 H LYS 22 H LYS 22 30.961 35.468 22.124 227 HA LYS 22 HA LYS 22 28.786 36.024 24.078 228 1HB LYS 22 1HB LYS 22 28.216 33.494 23.270 229 2HB LYS 22 2HB LYS 22 27.484 34.924 22.542 230 1HG LYS 22 1HG LYS 22 30.126 33.952 21.499 231 2HG LYS 22 2HG LYS 22 28.652 33.121 21.008 232 1HD LYS 22 1HD LYS 22 28.963 36.125 20.802 233 2HD LYS 22 2HD LYS 22 29.400 35.031 19.489 234 1HE LYS 22 1HE LYS 22 27.244 35.001 18.852 235 2HE LYS 22 2HE LYS 22 26.846 34.212 20.377 236 1HZ LYS 22 2HZ LYS 22 27.233 37.118 20.344 237 2HZ LYS 22 3HZ LYS 22 25.775 36.481 19.748 238 3HZ LYS 22 1HZ LYS 22 26.244 36.171 21.348 239 H CYS 23 H CYS 23 31.582 35.831 24.693 240 HA CYS 23 HA CYS 23 31.639 33.182 26.082 241 1HB CYS 23 1HB CYS 23 34.170 34.654 25.513 242 2HB CYS 23 2HB CYS 23 33.894 32.915 25.708 243 HG CYS 23 HG CYS 23 33.786 32.860 23.229 244 H SER 24 H SER 24 32.903 36.544 26.357 245 HA SER 24 HA SER 24 32.860 37.892 28.340 246 1HB SER 24 1HB SER 24 31.028 36.263 29.177 247 2HB SER 24 2HB SER 24 32.341 35.406 29.967 248 HG SER 24 HG SER 24 31.133 37.762 30.619 249 H THR 25 H THR 25 33.885 34.775 29.462 250 HA THR 25 HA THR 25 36.741 35.643 29.472 251 HB THR 25 HB THR 25 35.931 35.541 31.805 252 HG1 THR 25 HG1 THR 25 37.983 34.498 31.174 253 1HG2 THR 25 1HG2 THR 25 34.455 33.432 30.570 254 2HG2 THR 25 2HG2 THR 25 35.242 32.846 32.043 255 3HG2 THR 25 3HG2 THR 25 34.156 34.235 32.115 256 HA PRO 26 HA PRO 26 35.450 32.327 26.665 257 1HB PRO 26 1HB PRO 26 37.447 32.964 24.835 258 2HB PRO 26 2HB PRO 26 35.794 33.610 24.845 259 1HG PRO 26 1HG PRO 26 38.332 34.880 25.827 260 2HG PRO 26 2HG PRO 26 36.890 35.644 25.125 261 1HD PRO 26 1HD PRO 26 37.423 35.618 27.850 262 2HD PRO 26 2HD PRO 26 35.782 35.737 27.192 263 H GLU 27 H GLU 27 38.129 32.667 28.622 264 HA GLU 27 HA GLU 27 39.647 30.337 27.610 265 1HB GLU 27 1HB GLU 27 39.899 32.309 29.837 266 2HB GLU 27 2HB GLU 27 40.802 30.799 29.923 267 1HG GLU 27 1HG GLU 27 41.826 31.266 27.730 268 2HG GLU 27 2HG GLU 27 40.909 32.768 27.616 269 H GLU 28 H GLU 28 36.812 30.553 28.928 270 HA GLU 28 HA GLU 28 37.003 28.027 30.462 271 1HB GLU 28 1HB GLU 28 35.871 28.841 32.369 272 2HB GLU 28 2HB GLU 28 36.948 30.182 31.986 273 1HG GLU 28 1HG GLU 28 35.184 31.451 30.980 274 2HG GLU 28 2HG GLU 28 34.130 30.052 30.891 275 H ILE 29 H ILE 29 35.335 30.438 28.775 276 HA ILE 29 HA ILE 29 32.779 29.760 28.330 277 HB ILE 29 HB ILE 29 34.982 31.079 27.165 278 1HG1 ILE 29 1HG1 ILE 29 33.500 32.912 27.320 279 2HG1 ILE 29 2HG1 ILE 29 32.072 31.881 27.228 280 1HG2 ILE 29 2HG2 ILE 29 32.754 29.972 25.546 281 2HG2 ILE 29 3HG2 ILE 29 33.734 31.340 25.009 282 3HG2 ILE 29 1HG2 ILE 29 34.499 29.789 25.336 283 1HD1 ILE 29 2HD1 ILE 29 34.041 31.544 29.440 284 2HD1 ILE 29 3HD1 ILE 29 32.888 32.863 29.524 285 3HD1 ILE 29 1HD1 ILE 29 32.311 31.200 29.438 286 H LYS 30 H LYS 30 35.702 28.298 27.021 287 HA LYS 30 HA LYS 30 34.667 26.929 24.796 288 1HB LYS 30 1HB LYS 30 36.479 25.247 25.391 289 2HB LYS 30 2HB LYS 30 37.035 26.904 25.243 290 1HG LYS 30 1HG LYS 30 36.291 26.762 27.893 291 2HG LYS 30 2HG LYS 30 36.960 25.158 27.600 292 1HD LYS 30 1HD LYS 30 38.395 27.677 26.747 293 2HD LYS 30 2HD LYS 30 38.624 26.961 28.343 294 1HE LYS 30 1HE LYS 30 40.246 25.741 27.324 295 2HE LYS 30 2HE LYS 30 38.902 24.770 26.720 296 1HZ LYS 30 2HZ LYS 30 39.941 27.166 25.319 297 2HZ LYS 30 3HZ LYS 30 40.486 25.591 24.991 298 3HZ LYS 30 1HZ LYS 30 38.862 26.001 24.717 299 H LYS 31 H LYS 31 34.473 26.424 28.150 300 HA LYS 31 HA LYS 31 32.967 23.855 27.850 301 1HB LYS 31 1HB LYS 31 34.461 25.159 30.094 302 2HB LYS 31 2HB LYS 31 33.107 24.107 30.504 303 1HG LYS 31 1HG LYS 31 35.195 23.191 28.539 304 2HG LYS 31 2HG LYS 31 35.485 23.052 30.274 305 1HD LYS 31 1HD LYS 31 34.462 21.016 29.903 306 2HD LYS 31 2HD LYS 31 33.036 22.000 30.231 307 1HE LYS 31 1HE LYS 31 33.767 22.216 27.442 308 2HE LYS 31 2HE LYS 31 33.578 20.520 27.891 309 1HZ LYS 31 1HZ LYS 31 31.424 21.063 28.856 310 2HZ LYS 31 2HZ LYS 31 31.603 22.682 28.384 311 3HZ LYS 31 3HZ LYS 31 31.476 21.465 27.206 312 H ARG 32 H ARG 32 31.843 26.371 27.081 313 HA ARG 32 HA ARG 32 29.610 26.574 29.036 314 1HB ARG 32 1HB ARG 32 31.039 28.683 27.443 315 2HB ARG 32 2HB ARG 32 29.379 28.938 27.965 316 1HG ARG 32 1HG ARG 32 30.793 29.894 29.666 317 2HG ARG 32 2HG ARG 32 30.137 28.397 30.324 318 1HD ARG 32 1HD ARG 32 32.541 27.715 28.959 319 2HD ARG 32 2HD ARG 32 32.906 29.127 29.948 320 HE ARG 32 HE ARG 32 32.348 26.472 30.957 321 1HH1 ARG 32 1HH2 ARG 32 31.637 29.801 31.506 322 2HH1 ARG 32 2HH2 ARG 32 31.742 29.678 33.230 323 1HH2 ARG 32 1HH1 ARG 32 32.641 26.331 33.214 324 2HH2 ARG 32 2HH1 ARG 32 32.312 27.723 34.193 325 H LYS 33 H LYS 33 30.446 25.316 26.234 326 HA LYS 33 HA LYS 33 29.009 24.265 24.636 327 1HB LYS 33 1HB LYS 33 27.063 24.965 26.170 328 2HB LYS 33 2HB LYS 33 26.965 26.425 25.186 329 1HG LYS 33 1HG LYS 33 26.741 25.008 23.153 330 2HG LYS 33 2HG LYS 33 26.733 23.580 24.183 331 1HD LYS 33 1HD LYS 33 24.565 23.881 24.751 332 2HD LYS 33 2HD LYS 33 24.817 25.594 25.081 333 1HE LYS 33 1HE LYS 33 24.718 26.072 22.655 334 2HE LYS 33 2HE LYS 33 24.441 24.363 22.339 335 1HZ LYS 33 1HZ LYS 33 22.560 24.880 24.166 336 2HZ LYS 33 2HZ LYS 33 22.622 26.366 23.344 337 3HZ LYS 33 3HZ LYS 33 22.301 24.938 22.488 338 H LYS 34 H LYS 34 29.491 24.557 22.596 339 HA LYS 34 HA LYS 34 29.152 27.164 21.319 340 1HB LYS 34 1HB LYS 34 31.789 25.658 21.306 341 2HB LYS 34 2HB LYS 34 31.427 27.105 20.363 342 1HG LYS 34 1HG LYS 34 30.748 27.964 22.839 343 2HG LYS 34 2HG LYS 34 32.033 26.827 23.246 344 1HD LYS 34 1HD LYS 34 33.404 27.976 21.404 345 2HD LYS 34 2HD LYS 34 32.183 29.250 21.450 346 1HE LYS 34 1HE LYS 34 32.809 29.969 23.540 347 2HE LYS 34 2HE LYS 34 33.311 28.360 24.060 348 1HZ LYS 34 3HZ LYS 34 35.014 28.977 22.021 349 2HZ LYS 34 1HZ LYS 34 34.856 30.444 22.862 350 3HZ LYS 34 2HZ LYS 34 35.372 29.044 23.678 351 H ALA 35 H ALA 35 30.625 23.939 20.839 352 HA ALA 35 HA ALA 35 29.619 23.680 18.163 353 1HB ALA 35 2HB ALA 35 31.657 22.461 19.206 354 2HB ALA 35 3HB ALA 35 30.450 21.407 19.928 355 3HB ALA 35 1HB ALA 35 30.564 21.518 18.184 356 H VAL 36 H VAL 36 28.060 22.086 17.665 357 HA VAL 36 HA VAL 36 26.383 20.981 19.740 358 HB VAL 36 HB VAL 36 24.496 22.548 18.823 359 1HG1 VAL 36 3HG1 VAL 36 25.998 22.382 21.189 360 2HG1 VAL 36 1HG1 VAL 36 25.874 24.099 20.808 361 3HG1 VAL 36 2HG1 VAL 36 24.414 23.122 20.976 362 1HG2 VAL 36 1HG2 VAL 36 27.012 24.206 18.576 363 2HG2 VAL 36 2HG2 VAL 36 25.895 23.782 17.271 364 3HG2 VAL 36 3HG2 VAL 36 25.384 24.860 18.579 365 H ILE 37 H ILE 37 24.491 20.015 19.029 366 HA ILE 37 HA ILE 37 24.025 19.811 16.123 367 HB ILE 37 HB ILE 37 24.101 17.722 18.271 368 1HG1 ILE 37 1HG1 ILE 37 24.905 17.000 15.560 369 2HG1 ILE 37 2HG1 ILE 37 25.851 18.334 16.222 370 1HG2 ILE 37 3HG2 ILE 37 22.442 17.921 15.764 371 2HG2 ILE 37 1HG2 ILE 37 22.859 16.344 16.463 372 3HG2 ILE 37 2HG2 ILE 37 21.933 17.513 17.416 373 1HD1 ILE 37 2HD1 ILE 37 25.892 16.814 18.384 374 2HD1 ILE 37 3HD1 ILE 37 25.622 15.512 17.214 375 3HD1 ILE 37 1HD1 ILE 37 27.053 16.540 17.081 376 H PHE 38 H PHE 38 21.693 19.894 15.762 377 HA PHE 38 HA PHE 38 20.083 19.892 18.237 378 1HB PHE 38 1HB PHE 38 18.761 21.725 16.707 379 2HB PHE 38 2HB PHE 38 19.847 22.120 18.042 380 HD1 PHE 38 HD2 PHE 38 22.290 22.530 17.524 381 HD2 PHE 38 HD1 PHE 38 19.186 22.227 14.605 382 HE1 PHE 38 HE2 PHE 38 23.721 23.765 15.889 383 HE2 PHE 38 HE1 PHE 38 20.602 23.470 12.944 384 HZ PHE 38 HZ PHE 38 22.870 24.239 13.606 385 H CYS 39 H CYS 39 18.046 19.077 17.967 386 HA CYS 39 HA CYS 39 17.521 17.803 15.321 387 1HB CYS 39 1HB CYS 39 16.598 16.246 17.582 388 2HB CYS 39 2HB CYS 39 17.670 15.785 16.266 389 HG CYS 39 HG CYS 39 18.677 17.285 18.815 390 H LEU 40 H LEU 40 16.066 20.167 16.175 391 HA LEU 40 HA LEU 40 13.836 20.822 15.948 392 1HB LEU 40 1HB LEU 40 13.264 17.884 15.585 393 2HB LEU 40 2HB LEU 40 12.333 19.248 14.978 394 HG LEU 40 HG LEU 40 15.107 18.424 14.171 395 1HD1 LEU 40 2HD1 LEU 40 12.447 18.287 12.999 396 2HD1 LEU 40 3HD1 LEU 40 13.543 19.209 11.971 397 3HD1 LEU 40 1HD1 LEU 40 13.951 17.549 12.433 398 1HD2 LEU 40 1HD2 LEU 40 13.679 21.076 13.912 399 2HD2 LEU 40 2HD2 LEU 40 15.265 20.776 14.611 400 3HD2 LEU 40 3HD2 LEU 40 15.026 20.630 12.862 401 H SER 41 H SER 41 12.456 21.490 17.331 402 HA SER 41 HA SER 41 12.420 21.160 20.014 403 1HB SER 41 1HB SER 41 10.387 22.320 20.054 404 2HB SER 41 2HB SER 41 11.116 22.785 18.520 405 HG SER 41 HG SER 41 9.128 22.169 17.943 406 H ALA 42 H ALA 42 10.099 20.480 21.146 407 HA ALA 42 HA ALA 42 10.182 17.622 21.359 408 1HB ALA 42 3HB ALA 42 8.795 19.819 22.637 409 2HB ALA 42 1HB ALA 42 7.686 18.480 22.343 410 3HB ALA 42 2HB ALA 42 9.159 18.217 23.277 411 H ASP 43 H ASP 43 9.077 16.066 20.255 412 HA ASP 43 HA ASP 43 7.463 15.077 18.855 413 1HB ASP 43 1HB ASP 43 6.013 17.046 20.024 414 2HB ASP 43 2HB ASP 43 5.995 17.610 18.353 415 H LYS 44 H LYS 44 9.620 17.434 18.158 416 HA LYS 44 HA LYS 44 10.790 17.822 16.189 417 1HB LYS 44 1HB LYS 44 9.130 15.641 15.427 418 2HB LYS 44 2HB LYS 44 9.016 16.866 14.161 419 1HG LYS 44 1HG LYS 44 10.896 15.372 13.698 420 2HG LYS 44 2HG LYS 44 11.497 16.983 14.091 421 1HD LYS 44 1HD LYS 44 12.814 15.931 15.608 422 2HD LYS 44 2HD LYS 44 11.343 15.791 16.576 423 1HE LYS 44 1HE LYS 44 10.866 13.622 15.365 424 2HE LYS 44 2HE LYS 44 12.477 13.739 14.657 425 1HZ LYS 44 1HZ LYS 44 13.369 13.870 16.942 426 2HZ LYS 44 2HZ LYS 44 11.806 13.590 17.546 427 3HZ LYS 44 3HZ LYS 44 12.588 12.401 16.619 428 H LYS 45 H LYS 45 10.861 19.692 15.334 429 HA LYS 45 HA LYS 45 9.476 21.198 13.714 430 1HB LYS 45 1HB LYS 45 7.996 20.934 16.268 431 2HB LYS 45 2HB LYS 45 8.065 22.550 15.502 432 1HG LYS 45 1HG LYS 45 6.983 21.818 13.564 433 2HG LYS 45 2HG LYS 45 7.413 20.133 13.850 434 1HD LYS 45 1HD LYS 45 5.276 19.937 14.618 435 2HD LYS 45 2HD LYS 45 5.908 20.707 16.075 436 1HE LYS 45 1HE LYS 45 5.305 22.917 15.187 437 2HE LYS 45 2HE LYS 45 4.701 22.169 13.710 438 1HZ LYS 45 2HZ LYS 45 3.500 20.860 15.844 439 2HZ LYS 45 3HZ LYS 45 3.383 22.524 16.170 440 3HZ LYS 45 1HZ LYS 45 2.768 21.895 14.716 441 H CYS 46 H CYS 46 10.771 22.842 13.530 442 HA CYS 46 HA CYS 46 11.970 24.791 14.103 443 1HB CYS 46 1HB CYS 46 10.613 24.313 16.483 444 2HB CYS 46 2HB CYS 46 12.319 24.282 16.951 445 HG CYS 46 HG CYS 46 12.277 26.745 16.778 446 H ILE 47 H ILE 47 14.055 24.420 13.381 447 HA ILE 47 HA ILE 47 15.840 22.377 14.040 448 HB ILE 47 HB ILE 47 15.988 24.847 12.759 449 1HG1 ILE 47 1HG1 ILE 47 18.555 24.062 12.653 450 2HG1 ILE 47 2HG1 ILE 47 17.830 22.575 13.288 451 1HG2 ILE 47 1HG2 ILE 47 16.504 25.870 14.916 452 2HG2 ILE 47 2HG2 ILE 47 17.883 24.782 15.108 453 3HG2 ILE 47 3HG2 ILE 47 17.879 25.970 13.807 454 1HD1 ILE 47 2HD1 ILE 47 15.998 23.168 11.424 455 2HD1 ILE 47 3HD1 ILE 47 17.416 23.926 10.676 456 3HD1 ILE 47 1HD1 ILE 47 17.455 22.194 11.071 457 H ILE 48 H ILE 48 16.944 21.932 16.078 458 HA ILE 48 HA ILE 48 17.129 24.039 18.072 459 HB ILE 48 HB ILE 48 14.683 23.320 17.797 460 1HG1 ILE 48 1HG1 ILE 48 16.053 24.497 19.821 461 2HG1 ILE 48 2HG1 ILE 48 14.310 24.195 19.883 462 1HG2 ILE 48 2HG2 ILE 48 15.116 20.938 17.869 463 2HG2 ILE 48 3HG2 ILE 48 15.756 21.073 19.494 464 3HG2 ILE 48 1HG2 ILE 48 14.056 21.410 19.188 465 1HD1 ILE 48 2HD1 ILE 48 16.264 22.057 20.679 466 2HD1 ILE 48 3HD1 ILE 48 15.772 23.301 21.840 467 3HD1 ILE 48 1HD1 ILE 48 14.564 22.229 21.124 468 H VAL 49 H VAL 49 18.213 23.409 19.838 469 HA VAL 49 HA VAL 49 19.741 20.932 19.650 470 HB VAL 49 HB VAL 49 19.655 23.039 21.825 471 1HG1 VAL 49 3HG1 VAL 49 20.477 20.485 22.187 472 2HG1 VAL 49 1HG1 VAL 49 21.953 21.176 21.505 473 3HG1 VAL 49 2HG1 VAL 49 21.259 21.862 22.974 474 1HG2 VAL 49 1HG2 VAL 49 21.240 22.632 19.322 475 2HG2 VAL 49 2HG2 VAL 49 20.658 24.133 20.042 476 3HG2 VAL 49 3HG2 VAL 49 22.068 23.316 20.720 477 H GLU 50 H GLU 50 18.599 19.067 20.205 478 HA GLU 50 HA GLU 50 17.513 18.906 22.910 479 1HB GLU 50 1HB GLU 50 15.717 20.149 21.716 480 2HB GLU 50 2HB GLU 50 15.540 18.769 20.632 481 1HG GLU 50 1HG GLU 50 14.852 17.336 22.421 482 2HG GLU 50 2HG GLU 50 15.309 18.528 23.637 483 H GLU 51 H GLU 51 18.974 17.113 22.928 484 HA GLU 51 HA GLU 51 17.754 14.625 22.687 485 1HB GLU 51 1HB GLU 51 18.009 13.942 20.537 486 2HB GLU 51 2HB GLU 51 18.260 15.657 20.233 487 1HG GLU 51 1HG GLU 51 20.116 14.654 19.257 488 2HG GLU 51 2HG GLU 51 20.709 15.239 20.812 489 H GLY 52 H GLY 52 20.623 16.459 22.652 490 1HA GLY 52 1HA GLY 52 22.381 16.056 24.325 491 2HA GLY 52 2HA GLY 52 21.990 14.336 24.241 492 H LYS 53 H LYS 53 22.943 16.922 21.986 493 HA LYS 53 HA LYS 53 25.151 15.263 20.946 494 1HB LYS 53 1HB LYS 53 23.156 16.620 19.095 495 2HB LYS 53 2HB LYS 53 24.445 15.509 18.649 496 1HG LYS 53 1HG LYS 53 22.465 14.402 20.530 497 2HG LYS 53 2HG LYS 53 21.841 14.826 18.946 498 1HD LYS 53 1HD LYS 53 22.547 12.588 18.726 499 2HD LYS 53 2HD LYS 53 23.820 13.546 17.977 500 1HE LYS 53 1HE LYS 53 25.253 12.465 19.362 501 2HE LYS 53 2HE LYS 53 24.566 13.438 20.654 502 1HZ LYS 53 2HZ LYS 53 22.773 11.641 20.718 503 2HZ LYS 53 3HZ LYS 53 23.870 10.692 19.841 504 3HZ LYS 53 1HZ LYS 53 24.293 11.270 21.381 505 H GLU 54 H GLU 54 26.832 16.762 21.332 506 HA GLU 54 HA GLU 54 26.958 19.288 20.026 507 1HB GLU 54 1HB GLU 54 25.634 20.578 21.319 508 2HB GLU 54 2HB GLU 54 25.330 19.229 22.410 509 1HG GLU 54 1HG GLU 54 27.444 19.676 23.593 510 2HG GLU 54 2HG GLU 54 27.792 21.018 22.500 511 H ILE 55 H ILE 55 28.975 20.244 20.331 512 HA ILE 55 HA ILE 55 30.739 19.098 22.446 513 HB ILE 55 HB ILE 55 31.100 19.561 19.595 514 1HG1 ILE 55 1HG1 ILE 55 32.849 18.170 21.606 515 2HG1 ILE 55 2HG1 ILE 55 31.419 17.417 20.870 516 1HG2 ILE 55 2HG2 ILE 55 32.382 21.520 20.601 517 2HG2 ILE 55 3HG2 ILE 55 33.378 20.314 21.429 518 3HG2 ILE 55 1HG2 ILE 55 33.326 20.359 19.668 519 1HD1 ILE 55 2HD1 ILE 55 32.655 18.670 18.787 520 2HD1 ILE 55 3HD1 ILE 55 34.004 18.002 19.707 521 3HD1 ILE 55 1HD1 ILE 55 32.719 16.950 19.123 522 H LEU 56 H LEU 56 32.483 21.043 22.863 523 HA LEU 56 HA LEU 56 31.120 23.643 22.579 524 1HB LEU 56 1HB LEU 56 32.218 22.893 25.267 525 2HB LEU 56 2HB LEU 56 31.063 24.163 24.855 526 HG LEU 56 HG LEU 56 29.489 22.284 24.117 527 1HD1 LEU 56 1HD1 LEU 56 31.820 20.781 24.702 528 2HD1 LEU 56 2HD1 LEU 56 30.619 20.351 25.926 529 3HD1 LEU 56 3HD1 LEU 56 30.239 20.167 24.213 530 1HD2 LEU 56 1HD2 LEU 56 30.292 23.110 26.841 531 2HD2 LEU 56 2HD2 LEU 56 28.698 23.129 26.081 532 3HD2 LEU 56 3HD2 LEU 56 29.329 21.631 26.767 533 H VAL 57 H VAL 57 33.821 22.067 21.899 534 HA VAL 57 HA VAL 57 35.949 22.843 21.389 535 HB VAL 57 HB VAL 57 36.329 25.005 21.174 536 1HG1 VAL 57 2HG1 VAL 57 33.659 24.506 20.892 537 2HG1 VAL 57 3HG1 VAL 57 33.675 25.947 21.907 538 3HG1 VAL 57 1HG1 VAL 57 34.484 25.964 20.343 539 1HG2 VAL 57 3HG2 VAL 57 35.321 25.307 23.973 540 2HG2 VAL 57 1HG2 VAL 57 36.900 25.710 23.318 541 3HG2 VAL 57 2HG2 VAL 57 35.513 26.735 22.971 542 H GLY 58 H GLY 58 34.762 23.623 24.642 543 1HA GLY 58 1HA GLY 58 37.309 23.598 25.936 544 2HA GLY 58 2HA GLY 58 35.757 23.332 26.739 545 H ASP 59 H ASP 59 34.758 21.092 25.681 546 HA ASP 59 HA ASP 59 36.083 18.965 26.898 547 1HB ASP 59 1HB ASP 59 34.307 19.038 24.452 548 2HB ASP 59 2HB ASP 59 34.952 17.517 25.082 549 H VAL 60 H VAL 60 36.292 19.877 23.434 550 HA VAL 60 HA VAL 60 38.159 18.217 22.383 551 HB VAL 60 HB VAL 60 37.858 21.180 22.221 552 1HG1 VAL 60 2HG1 VAL 60 40.268 19.618 21.370 553 2HG1 VAL 60 3HG1 VAL 60 39.713 20.961 20.370 554 3HG1 VAL 60 1HG1 VAL 60 40.173 21.244 22.048 555 1HG2 VAL 60 1HG2 VAL 60 36.872 18.957 20.863 556 2HG2 VAL 60 2HG2 VAL 60 36.750 20.635 20.336 557 3HG2 VAL 60 3HG2 VAL 60 38.084 19.625 19.770 558 H GLY 61 H GLY 61 39.532 17.248 23.833 559 1HA GLY 61 1HA GLY 61 42.030 17.517 24.301 560 2HA GLY 61 2HA GLY 61 41.560 18.963 25.195 561 H VAL 62 H VAL 62 39.128 16.781 25.537 562 HA VAL 62 HA VAL 62 40.240 15.596 28.039 563 HB VAL 62 HB VAL 62 37.453 16.613 27.376 564 1HG1 VAL 62 1HG1 VAL 62 38.432 14.941 29.698 565 2HG1 VAL 62 2HG1 VAL 62 36.913 15.838 29.719 566 3HG1 VAL 62 3HG1 VAL 62 37.156 14.542 28.548 567 1HG2 VAL 62 2HG2 VAL 62 39.575 17.388 29.379 568 2HG2 VAL 62 3HG2 VAL 62 38.855 18.387 28.117 569 3HG2 VAL 62 1HG2 VAL 62 37.898 17.915 29.520 570 H THR 63 H THR 63 37.087 14.928 26.662 571 HA THR 63 HA THR 63 37.839 12.151 26.167 572 HB THR 63 HB THR 63 35.308 13.734 25.631 573 HG1 THR 63 HG1 THR 63 34.588 12.162 27.279 574 1HG2 THR 63 2HG2 THR 63 36.215 11.123 24.683 575 2HG2 THR 63 3HG2 THR 63 34.668 11.054 25.527 576 3HG2 THR 63 1HG2 THR 63 34.866 12.113 24.130 577 H ILE 64 H ILE 64 38.132 15.144 24.644 578 HA ILE 64 HA ILE 64 38.421 13.829 21.977 579 HB ILE 64 HB ILE 64 37.936 16.459 21.382 580 1HG1 ILE 64 1HG1 ILE 64 36.327 15.703 23.832 581 2HG1 ILE 64 2HG1 ILE 64 37.284 17.163 23.577 582 1HG2 ILE 64 1HG2 ILE 64 36.847 14.073 20.747 583 2HG2 ILE 64 2HG2 ILE 64 35.544 14.726 21.746 584 3HG2 ILE 64 3HG2 ILE 64 36.087 15.606 20.315 585 1HD1 ILE 64 3HD1 ILE 64 35.710 17.552 21.537 586 2HD1 ILE 64 1HD1 ILE 64 34.650 16.385 22.327 587 3HD1 ILE 64 2HD1 ILE 64 35.076 17.890 23.146 588 H THR 65 H THR 65 39.668 16.000 20.671 589 HA THR 65 HA THR 65 41.768 17.102 22.347 590 HB THR 65 HB THR 65 43.019 15.340 20.352 591 HG1 THR 65 HG1 THR 65 42.398 14.002 22.661 592 1HG2 THR 65 3HG2 THR 65 43.453 16.337 23.139 593 2HG2 THR 65 1HG2 THR 65 44.305 14.878 22.629 594 3HG2 THR 65 2HG2 THR 65 44.540 16.389 21.750 595 H ASP 66 H ASP 66 39.836 17.882 20.181 596 HA ASP 66 HA ASP 66 40.140 19.881 18.906 597 1HB ASP 66 1HB ASP 66 42.584 19.746 19.663 598 2HB ASP 66 2HB ASP 66 42.872 18.972 18.100 599 HA PRO 67 HA PRO 67 40.336 17.299 14.960 600 1HB PRO 67 1HB PRO 67 39.447 14.711 15.246 601 2HB PRO 67 2HB PRO 67 41.150 15.155 15.399 602 1HG PRO 67 1HG PRO 67 39.235 14.365 17.514 603 2HG PRO 67 2HG PRO 67 41.007 14.321 17.527 604 1HD PRO 67 1HD PRO 67 39.299 16.306 18.706 605 2HD PRO 67 2HD PRO 67 41.068 16.279 18.654 606 H PHE 68 H PHE 68 38.108 15.355 14.503 607 HA PHE 68 HA PHE 68 35.755 16.894 15.493 608 1HB PHE 68 1HB PHE 68 35.033 17.500 13.418 609 2HB PHE 68 2HB PHE 68 36.720 17.261 12.939 610 HD1 PHE 68 HD1 PHE 68 37.472 14.943 12.313 611 HD2 PHE 68 HD2 PHE 68 33.352 16.079 12.567 612 HE1 PHE 68 HE1 PHE 68 36.852 12.944 11.031 613 HE2 PHE 68 HE2 PHE 68 32.724 14.066 11.282 614 HZ PHE 68 HZ PHE 68 34.465 12.491 10.500 615 H LYS 69 H LYS 69 37.166 13.942 14.203 616 HA LYS 69 HA LYS 69 35.056 12.204 13.755 617 1HB LYS 69 1HB LYS 69 36.638 10.472 14.932 618 2HB LYS 69 2HB LYS 69 37.181 11.269 13.456 619 1HG LYS 69 1HG LYS 69 38.949 12.114 14.561 620 2HG LYS 69 2HG LYS 69 37.859 12.966 15.653 621 1HD LYS 69 1HD LYS 69 39.476 11.369 16.779 622 2HD LYS 69 2HD LYS 69 37.774 11.110 17.163 623 1HE LYS 69 1HE LYS 69 37.770 9.066 16.212 624 2HE LYS 69 2HE LYS 69 38.600 9.656 14.772 625 1HZ LYS 69 1HZ LYS 69 40.393 9.689 16.930 626 2HZ LYS 69 2HZ LYS 69 39.660 8.157 16.873 627 3HZ LYS 69 3HZ LYS 69 40.471 8.765 15.511 628 H HIS 70 H HIS 70 35.848 13.687 16.814 629 HA HIS 70 HA HIS 70 34.344 11.671 18.313 630 1HB HIS 70 1HB HIS 70 35.660 12.602 19.895 631 2HB HIS 70 2HB HIS 70 35.852 14.102 18.972 632 HD1 HIS 70 HD1 HIS 70 33.191 12.306 21.008 633 HD2 HIS 70 HD2 HIS 70 34.192 16.150 19.799 634 HE1 HIS 70 HE1 HIS 70 31.546 13.874 22.094 635 H PHE 71 H PHE 71 33.850 15.001 17.170 636 HA PHE 71 HA PHE 71 31.300 15.340 18.299 637 1HB PHE 71 1HB PHE 71 32.180 17.365 17.481 638 2HB PHE 71 2HB PHE 71 32.850 16.593 16.051 639 HD1 PHE 71 HD1 PHE 71 31.414 16.071 14.121 640 HD2 PHE 71 HD2 PHE 71 29.935 18.197 17.552 641 HE1 PHE 71 HE1 PHE 71 29.444 16.813 12.809 642 HE2 PHE 71 HE2 PHE 71 27.962 18.923 16.249 643 HZ PHE 71 HZ PHE 71 27.720 18.237 13.877 644 H VAL 72 H VAL 72 32.411 13.577 15.512 645 HA VAL 72 HA VAL 72 29.735 13.217 14.366 646 HB VAL 72 HB VAL 72 31.394 11.082 13.500 647 1HG1 VAL 72 1HG1 VAL 72 30.462 13.686 12.328 648 2HG1 VAL 72 2HG1 VAL 72 31.404 12.522 11.400 649 3HG1 VAL 72 3HG1 VAL 72 29.831 12.063 12.043 650 1HG2 VAL 72 1HG2 VAL 72 32.817 13.742 13.560 651 2HG2 VAL 72 2HG2 VAL 72 33.270 12.307 14.468 652 3HG2 VAL 72 3HG2 VAL 72 33.369 12.296 12.709 653 H GLY 73 H GLY 73 31.688 11.861 16.814 654 1HA GLY 73 1HA GLY 73 30.327 9.333 17.104 655 2HA GLY 73 2HA GLY 73 31.273 10.143 18.366 656 H MET 74 H MET 74 29.686 12.676 17.816 657 HA MET 74 HA MET 74 27.369 12.022 19.560 658 1HB MET 74 1HB MET 74 27.952 14.786 18.562 659 2HB MET 74 2HB MET 74 27.274 14.282 20.109 660 1HG MET 74 1HG MET 74 29.525 13.323 20.700 661 2HG MET 74 2HG MET 74 30.157 14.045 19.219 662 1HE MET 74 3HE MET 74 29.495 16.147 18.483 663 2HE MET 74 1HE MET 74 29.418 17.639 19.431 664 3HE MET 74 2HE MET 74 30.973 16.798 19.205 665 H LEU 75 H LEU 75 27.765 11.409 16.637 666 HA LEU 75 HA LEU 75 25.177 12.490 15.699 667 1HB LEU 75 1HB LEU 75 27.671 12.163 13.985 668 2HB LEU 75 2HB LEU 75 26.123 12.811 13.476 669 HG LEU 75 HG LEU 75 27.759 14.065 15.666 670 1HD1 LEU 75 2HD1 LEU 75 28.169 14.047 12.797 671 2HD1 LEU 75 3HD1 LEU 75 27.729 15.669 13.329 672 3HD1 LEU 75 1HD1 LEU 75 29.121 14.857 14.040 673 1HD2 LEU 75 3HD2 LEU 75 25.429 14.979 13.950 674 2HD2 LEU 75 1HD2 LEU 75 25.376 14.603 15.672 675 3HD2 LEU 75 2HD2 LEU 75 26.297 15.993 15.097 676 HA PRO 76 HA PRO 76 25.595 7.889 15.378 677 1HB PRO 76 1HB PRO 76 23.072 7.344 16.324 678 2HB PRO 76 2HB PRO 76 24.494 7.533 17.365 679 1HG PRO 76 1HG PRO 76 22.234 9.425 16.909 680 2HG PRO 76 2HG PRO 76 23.292 9.258 18.321 681 1HD PRO 76 1HD PRO 76 23.498 11.254 16.331 682 2HD PRO 76 2HD PRO 76 24.735 10.860 17.543 683 H GLU 77 H GLU 77 23.290 6.477 14.603 684 HA GLU 77 HA GLU 77 22.789 7.741 11.953 685 1HB GLU 77 1HB GLU 77 22.103 4.897 12.657 686 2HB GLU 77 2HB GLU 77 22.510 5.574 11.079 687 1HG GLU 77 1HG GLU 77 24.822 5.773 11.666 688 2HG GLU 77 2HG GLU 77 24.483 5.468 13.371 689 H LYS 78 H LYS 78 21.312 6.926 14.929 690 HA LYS 78 HA LYS 78 18.577 6.975 13.795 691 1HB LYS 78 1HB LYS 78 17.883 5.925 15.719 692 2HB LYS 78 2HB LYS 78 19.583 5.467 15.796 693 1HG LYS 78 1HG LYS 78 18.437 7.941 17.119 694 2HG LYS 78 2HG LYS 78 18.694 6.414 17.945 695 1HD LYS 78 1HD LYS 78 20.958 7.750 16.469 696 2HD LYS 78 2HD LYS 78 20.546 8.233 18.110 697 1HE LYS 78 1HE LYS 78 21.417 5.501 17.157 698 2HE LYS 78 2HE LYS 78 22.198 6.535 18.355 699 1HZ LYS 78 3HZ LYS 78 19.854 6.319 19.489 700 2HZ LYS 78 1HZ LYS 78 19.805 4.872 18.608 701 3HZ LYS 78 2HZ LYS 78 21.059 5.143 19.721 702 H ASP 79 H ASP 79 20.688 9.239 14.395 703 HA ASP 79 HA ASP 79 18.659 11.250 14.981 704 1HB ASP 79 1HB ASP 79 21.119 10.908 16.743 705 2HB ASP 79 2HB ASP 79 20.069 12.332 16.768 706 H CYS 80 H CYS 80 18.997 12.621 13.419 707 HA CYS 80 HA CYS 80 21.710 12.827 12.179 708 1HB CYS 80 1HB CYS 80 19.616 14.320 10.815 709 2HB CYS 80 2HB CYS 80 20.603 13.002 10.222 710 HG CYS 80 HG CYS 80 18.396 11.833 10.230 711 H ARG 81 H ARG 81 19.142 15.209 12.265 712 HA ARG 81 HA ARG 81 19.043 17.288 13.287 713 1HB ARG 81 1HB ARG 81 21.239 16.516 15.148 714 2HB ARG 81 2HB ARG 81 19.671 17.202 15.516 715 1HG ARG 81 1HG ARG 81 20.386 14.313 15.064 716 2HG ARG 81 2HG ARG 81 19.465 15.027 16.365 717 1HD ARG 81 1HD ARG 81 17.807 15.658 14.352 718 2HD ARG 81 2HD ARG 81 18.548 14.233 13.642 719 HE ARG 81 HE ARG 81 17.855 13.457 16.225 720 1HH1 ARG 81 1HH1 ARG 81 15.511 15.102 16.234 721 2HH1 ARG 81 2HH1 ARG 81 14.339 14.197 15.334 722 1HH2 ARG 81 1HH2 ARG 81 16.696 12.143 13.831 723 2HH2 ARG 81 2HH2 ARG 81 15.011 12.528 13.962 724 H TYR 82 H TYR 82 20.054 19.294 12.973 725 HA TYR 82 HA TYR 82 22.431 19.271 11.295 726 1HB TYR 82 1HB TYR 82 20.657 21.397 12.474 727 2HB TYR 82 2HB TYR 82 22.176 21.832 11.706 728 HD1 TYR 82 HD2 TYR 82 22.078 19.468 9.700 729 HD2 TYR 82 HD1 TYR 82 19.253 22.492 10.784 730 HE1 TYR 82 HE2 TYR 82 21.038 19.259 7.476 731 HE2 TYR 82 HE1 TYR 82 18.192 22.295 8.542 732 HH TYR 82 HH TYR 82 18.097 21.077 6.661 733 H ALA 83 H ALA 83 24.248 21.043 12.021 734 HA ALA 83 HA ALA 83 24.624 21.154 14.872 735 1HB ALA 83 1HB ALA 83 26.245 19.125 13.370 736 2HB ALA 83 2HB ALA 83 26.523 19.614 15.044 737 3HB ALA 83 3HB ALA 83 25.026 18.795 14.592 738 H LEU 84 H LEU 84 25.833 22.814 15.328 739 HA LEU 84 HA LEU 84 27.870 23.772 13.419 740 1HB LEU 84 1HB LEU 84 26.481 25.149 15.683 741 2HB LEU 84 2HB LEU 84 27.790 25.869 14.759 742 HG LEU 84 HG LEU 84 25.116 24.970 13.667 743 1HD1 LEU 84 2HD1 LEU 84 26.125 27.359 14.845 744 2HD1 LEU 84 3HD1 LEU 84 25.772 27.683 13.148 745 3HD1 LEU 84 1HD1 LEU 84 24.512 27.063 14.219 746 1HD2 LEU 84 3HD2 LEU 84 27.638 25.109 12.412 747 2HD2 LEU 84 1HD2 LEU 84 26.062 25.003 11.624 748 3HD2 LEU 84 2HD2 LEU 84 26.789 26.579 11.936 749 H TYR 85 H TYR 85 29.810 22.908 13.954 750 HA TYR 85 HA TYR 85 30.421 22.712 16.863 751 1HB TYR 85 1HB TYR 85 30.724 20.562 16.078 752 2HB TYR 85 2HB TYR 85 31.221 21.113 14.477 753 HD1 TYR 85 HD2 TYR 85 32.312 21.189 18.067 754 HD2 TYR 85 HD1 TYR 85 33.485 21.199 13.914 755 HE1 TYR 85 HE2 TYR 85 34.701 21.015 18.738 756 HE2 TYR 85 HE1 TYR 85 35.868 20.983 14.604 757 HH TYR 85 HH TYR 85 36.794 20.420 17.921 758 H ASP 86 H ASP 86 31.886 24.084 17.656 759 HA ASP 86 HA ASP 86 33.223 26.056 16.088 760 1HB ASP 86 1HB ASP 86 32.856 25.779 18.726 761 2HB ASP 86 2HB ASP 86 34.490 25.124 18.629 762 H ALA 87 H ALA 87 34.555 25.389 14.438 763 HA ALA 87 HA ALA 87 36.311 23.045 14.824 764 1HB ALA 87 3HB ALA 87 35.205 24.466 12.556 765 2HB ALA 87 1HB ALA 87 36.955 24.295 12.384 766 3HB ALA 87 2HB ALA 87 35.943 22.865 12.609 767 H SER 88 H SER 88 38.441 23.171 15.335 768 HA SER 88 HA SER 88 39.757 25.860 15.186 769 1HB SER 88 1HB SER 88 40.100 23.581 17.131 770 2HB SER 88 2HB SER 88 41.358 24.790 16.896 771 HG SER 88 HG SER 88 40.197 26.166 17.979 772 H PHE 89 H PHE 89 40.577 25.625 13.132 773 HA PHE 89 HA PHE 89 42.679 23.532 12.809 774 1HB PHE 89 1HB PHE 89 41.899 23.068 10.556 775 2HB PHE 89 2HB PHE 89 40.554 22.842 11.678 776 HD1 PHE 89 HD1 PHE 89 38.768 24.530 11.874 777 HD2 PHE 89 HD2 PHE 89 41.946 24.954 9.007 778 HE1 PHE 89 HE1 PHE 89 37.461 26.269 10.671 779 HE2 PHE 89 HE2 PHE 89 40.639 26.682 7.812 780 HZ PHE 89 HZ PHE 89 38.399 27.342 8.642 781 H GLU 90 H GLU 90 44.203 24.062 11.036 782 HA GLU 90 HA GLU 90 44.517 27.008 10.762 783 1HB GLU 90 1HB GLU 90 46.461 24.752 10.217 784 2HB GLU 90 2HB GLU 90 46.786 26.459 9.882 785 1HG GLU 90 1HG GLU 90 47.412 26.736 12.016 786 2HG GLU 90 2HG GLU 90 45.766 26.335 12.513 787 H THR 91 H THR 91 45.103 27.784 8.626 788 HA THR 91 HA THR 91 44.203 26.041 6.430 789 HB THR 91 HB THR 91 42.167 27.116 6.804 790 HG1 THR 91 HG1 THR 91 41.972 28.753 5.322 791 1HG2 THR 91 3HG2 THR 91 43.189 28.381 8.739 792 2HG2 THR 91 1HG2 THR 91 43.649 29.647 7.584 793 3HG2 THR 91 2HG2 THR 91 41.947 29.260 7.855 794 H LYS 92 H LYS 92 44.401 27.856 4.254 795 HA LYS 92 HA LYS 92 47.182 28.457 4.101 796 1HB LYS 92 1HB LYS 92 44.855 29.845 2.711 797 2HB LYS 92 2HB LYS 92 46.547 29.931 2.215 798 1HG LYS 92 1HG LYS 92 45.159 27.270 2.476 799 2HG LYS 92 2HG LYS 92 45.003 28.227 1.001 800 1HD LYS 92 1HD LYS 92 47.761 27.951 2.038 801 2HD LYS 92 2HD LYS 92 47.029 26.461 1.441 802 1HE LYS 92 1HE LYS 92 47.937 27.321 -0.522 803 2HE LYS 92 2HE LYS 92 46.305 27.985 -0.587 804 1HZ LYS 92 2HZ LYS 92 47.958 29.682 0.938 805 2HZ LYS 92 3HZ LYS 92 48.702 29.382 -0.558 806 3HZ LYS 92 1HZ LYS 92 47.129 30.020 -0.504 807 H GLU 93 H GLU 93 44.420 29.874 5.593 808 HA GLU 93 HA GLU 93 45.615 32.462 6.155 809 1HB GLU 93 1HB GLU 93 43.330 31.463 7.763 810 2HB GLU 93 2HB GLU 93 43.561 33.038 7.007 811 1HG GLU 93 1HG GLU 93 43.401 31.433 4.804 812 2HG GLU 93 2HG GLU 93 42.322 30.587 5.913 813 H SER 94 H SER 94 45.292 29.358 7.677 814 HA SER 94 HA SER 94 46.870 28.502 9.276 815 1HB SER 94 1HB SER 94 46.835 31.282 10.379 816 2HB SER 94 2HB SER 94 47.865 29.951 10.894 817 HG SER 94 HG SER 94 48.441 31.714 9.087 818 H ARG 95 H ARG 95 46.648 28.531 11.822 819 HA ARG 95 HA ARG 95 44.176 27.592 12.616 820 1HB ARG 95 1HB ARG 95 46.482 27.989 13.956 821 2HB ARG 95 2HB ARG 95 45.526 29.324 14.596 822 1HG ARG 95 1HG ARG 95 44.949 27.620 16.075 823 2HG ARG 95 2HG ARG 95 43.666 27.496 14.871 824 1HD ARG 95 1HD ARG 95 44.581 25.588 13.893 825 2HD ARG 95 2HD ARG 95 46.202 25.935 14.493 826 HE ARG 95 HE ARG 95 44.233 25.366 16.592 827 1HH1 ARG 95 1HH2 ARG 95 47.308 24.899 16.395 828 2HH1 ARG 95 2HH2 ARG 95 47.352 23.168 16.431 829 1HH2 ARG 95 1HH1 ARG 95 43.966 22.813 15.755 830 2HH2 ARG 95 2HH1 ARG 95 45.455 21.984 16.067 831 H LYS 96 H LYS 96 42.398 28.622 12.125 832 HA LYS 96 HA LYS 96 41.999 31.375 13.181 833 1HB LYS 96 1HB LYS 96 41.245 30.488 10.391 834 2HB LYS 96 2HB LYS 96 40.874 32.060 11.099 835 1HG LYS 96 1HG LYS 96 43.718 31.300 11.262 836 2HG LYS 96 2HG LYS 96 43.121 31.528 9.621 837 1HD LYS 96 1HD LYS 96 42.320 33.569 11.628 838 2HD LYS 96 2HD LYS 96 44.014 33.566 11.129 839 1HE LYS 96 1HE LYS 96 43.354 33.709 8.779 840 2HE LYS 96 2HE LYS 96 41.650 33.627 9.231 841 1HZ LYS 96 3HZ LYS 96 43.084 35.671 10.637 842 2HZ LYS 96 1HZ LYS 96 43.112 35.899 8.953 843 3HZ LYS 96 2HZ LYS 96 41.628 35.772 9.772 844 H GLU 97 H GLU 97 41.062 28.520 13.687 845 HA GLU 97 HA GLU 97 39.053 27.345 13.991 846 1HB GLU 97 1HB GLU 97 39.646 29.088 15.895 847 2HB GLU 97 2HB GLU 97 38.088 29.754 15.401 848 1HG GLU 97 1HG GLU 97 37.033 27.579 15.665 849 2HG GLU 97 2HG GLU 97 38.597 26.869 16.081 850 H GLU 98 H GLU 98 37.527 26.946 12.528 851 HA GLU 98 HA GLU 98 35.498 29.033 12.048 852 1HB GLU 98 1HB GLU 98 36.322 29.454 10.014 853 2HB GLU 98 2HB GLU 98 37.365 28.038 10.036 854 1HG GLU 98 1HG GLU 98 35.673 26.632 9.194 855 2HG GLU 98 2HG GLU 98 34.392 27.761 9.635 856 H LEU 99 H LEU 99 34.006 27.948 13.154 857 HA LEU 99 HA LEU 99 33.472 25.158 13.214 858 1HB LEU 99 1HB LEU 99 31.347 25.735 14.120 859 2HB LEU 99 2HB LEU 99 32.465 26.997 14.637 860 HG LEU 99 HG LEU 99 31.708 28.133 12.380 861 1HD1 LEU 99 1HD1 LEU 99 29.896 25.896 12.691 862 2HD1 LEU 99 2HD1 LEU 99 29.015 27.425 12.649 863 3HD1 LEU 99 3HD1 LEU 99 30.089 26.986 11.308 864 1HD2 LEU 99 2HD2 LEU 99 30.089 28.102 14.962 865 2HD2 LEU 99 3HD2 LEU 99 31.392 29.203 14.525 866 3HD2 LEU 99 1HD2 LEU 99 29.852 29.287 13.681 867 H MET 100 H MET 100 31.276 24.295 12.314 868 HA MET 100 HA MET 100 30.809 25.216 9.543 869 1HB MET 100 1HB MET 100 31.708 22.449 10.212 870 2HB MET 100 2HB MET 100 31.440 23.126 8.599 871 1HG MET 100 1HG MET 100 33.183 24.839 9.083 872 2HG MET 100 2HG MET 100 33.528 24.025 10.606 873 1HE MET 100 2HE MET 100 32.876 21.201 9.870 874 2HE MET 100 3HE MET 100 32.270 21.592 8.260 875 3HE MET 100 1HE MET 100 33.624 20.470 8.448 876 H PHE 101 H PHE 101 28.884 24.647 8.726 877 HA PHE 101 HA PHE 101 26.788 23.830 10.455 878 1HB PHE 101 1HB PHE 101 26.690 25.155 8.206 879 2HB PHE 101 2HB PHE 101 26.661 23.553 7.488 880 HD1 PHE 101 HD1 PHE 101 25.221 23.494 10.705 881 HD2 PHE 101 HD2 PHE 101 24.363 24.497 6.628 882 HE1 PHE 101 HE1 PHE 101 22.808 23.318 11.173 883 HE2 PHE 101 HE2 PHE 101 21.922 24.302 7.107 884 HZ PHE 101 HZ PHE 101 21.158 23.702 9.373 885 H PHE 102 H PHE 102 25.907 21.683 10.761 886 HA PHE 102 HA PHE 102 27.234 19.637 9.029 887 1HB PHE 102 1HB PHE 102 27.072 19.799 11.948 888 2HB PHE 102 2HB PHE 102 26.634 18.223 11.287 889 HD1 PHE 102 HD2 PHE 102 28.201 17.249 9.437 890 HD2 PHE 102 HD1 PHE 102 29.301 20.394 12.170 891 HE1 PHE 102 HE2 PHE 102 30.627 16.837 8.978 892 HE2 PHE 102 HE1 PHE 102 31.693 19.979 11.717 893 HZ PHE 102 HZ PHE 102 32.366 18.198 10.115 894 H LEU 103 H LEU 103 25.752 18.770 7.714 895 HA LEU 103 HA LEU 103 22.936 18.678 8.558 896 1HB LEU 103 1HB LEU 103 24.311 17.968 5.972 897 2HB LEU 103 2HB LEU 103 22.611 17.670 6.264 898 HG LEU 103 HG LEU 103 22.060 19.874 6.101 899 1HD1 LEU 103 1HD1 LEU 103 23.316 20.420 8.202 900 2HD1 LEU 103 2HD1 LEU 103 24.775 20.618 7.232 901 3HD1 LEU 103 3HD1 LEU 103 23.414 21.710 7.001 902 1HD2 LEU 103 2HD2 LEU 103 24.656 19.512 4.665 903 2HD2 LEU 103 3HD2 LEU 103 23.053 19.856 4.014 904 3HD2 LEU 103 1HD2 LEU 103 23.992 21.142 4.771 905 H TRP 104 H TRP 104 24.241 17.255 10.269 906 HA TRP 104 HA TRP 104 25.041 14.637 9.718 907 1HB TRP 104 1HB TRP 104 24.908 15.624 12.059 908 2HB TRP 104 2HB TRP 104 23.162 15.331 12.024 909 HD1 TRP 104 HD1 TRP 104 23.154 13.456 13.862 910 HE1 TRP 104 HE1 TRP 104 23.957 11.032 13.906 911 HE3 TRP 104 HE3 TRP 104 26.114 13.410 9.720 912 HZ2 TRP 104 HZ2 TRP 104 25.682 9.278 12.343 913 HZ3 TRP 104 HZ3 TRP 104 27.261 11.419 9.034 914 HH2 TRP 104 HH2 TRP 104 27.082 9.325 10.327 915 H ALA 105 H ALA 105 23.926 13.491 8.179 916 HA ALA 105 HA ALA 105 21.028 12.947 8.623 917 1HB ALA 105 2HB ALA 105 21.290 14.724 6.864 918 2HB ALA 105 3HB ALA 105 22.287 13.603 5.937 919 3HB ALA 105 1HB ALA 105 20.589 13.235 6.230 920 HA PRO 106 HA PRO 106 23.484 9.149 8.054 921 1HB PRO 106 1HB PRO 106 21.953 7.599 9.734 922 2HB PRO 106 2HB PRO 106 23.321 8.592 10.266 923 1HG PRO 106 1HG PRO 106 20.407 9.080 10.590 924 2HG PRO 106 2HG PRO 106 21.751 9.641 11.590 925 1HD PRO 106 1HD PRO 106 20.378 11.212 9.684 926 2HD PRO 106 2HD PRO 106 21.950 11.613 10.410 927 H GLU 107 H GLU 107 23.105 7.474 6.738 928 HA GLU 107 HA GLU 107 21.010 7.555 4.861 929 1HB GLU 107 1HB GLU 107 21.763 5.087 4.506 930 2HB GLU 107 2HB GLU 107 22.909 6.385 4.182 931 1HG GLU 107 1HG GLU 107 22.915 5.523 6.981 932 2HG GLU 107 2HG GLU 107 23.350 4.226 5.868 933 H LEU 108 H LEU 108 20.927 6.351 8.072 934 HA LEU 108 HA LEU 108 18.584 4.608 7.427 935 1HB LEU 108 1HB LEU 108 19.439 3.079 8.818 936 2HB LEU 108 2HB LEU 108 20.924 4.029 8.783 937 HG LEU 108 HG LEU 108 19.828 5.429 10.663 938 1HD1 LEU 108 1HD1 LEU 108 17.746 3.679 10.031 939 2HD1 LEU 108 2HD1 LEU 108 18.359 3.099 11.584 940 3HD1 LEU 108 3HD1 LEU 108 17.817 4.773 11.416 941 1HD2 LEU 108 2HD2 LEU 108 21.724 3.860 10.950 942 2HD2 LEU 108 3HD2 LEU 108 20.645 3.843 12.347 943 3HD2 LEU 108 1HD2 LEU 108 20.582 2.534 11.167 944 H ALA 109 H ALA 109 19.560 7.418 9.233 945 HA ALA 109 HA ALA 109 17.879 7.635 11.362 946 1HB ALA 109 1HB ALA 109 18.941 9.530 9.434 947 2HB ALA 109 2HB ALA 109 17.387 10.075 10.106 948 3HB ALA 109 3HB ALA 109 18.747 9.691 11.188 949 HA PRO 110 HA PRO 110 13.693 7.419 10.326 950 1HB PRO 110 1HB PRO 110 12.635 9.591 11.660 951 2HB PRO 110 2HB PRO 110 13.142 8.086 12.445 952 1HG PRO 110 1HG PRO 110 14.538 10.733 12.362 953 2HG PRO 110 2HG PRO 110 14.570 9.486 13.621 954 1HD PRO 110 1HD PRO 110 16.606 9.908 11.762 955 2HD PRO 110 2HD PRO 110 16.365 8.397 12.664 956 H LEU 111 H LEU 111 12.360 8.000 8.684 957 HA LEU 111 HA LEU 111 13.124 9.644 6.591 958 1HB LEU 111 1HB LEU 111 10.376 8.843 7.541 959 2HB LEU 111 2HB LEU 111 10.622 9.769 6.059 960 HG LEU 111 HG LEU 111 12.468 7.779 5.745 961 1HD1 LEU 111 2HD1 LEU 111 10.100 6.669 7.271 962 2HD1 LEU 111 3HD1 LEU 111 11.171 5.669 6.287 963 3HD1 LEU 111 1HD1 LEU 111 11.807 6.527 7.690 964 1HD2 LEU 111 2HD2 LEU 111 10.649 8.638 4.182 965 2HD2 LEU 111 3HD2 LEU 111 10.965 6.905 4.087 966 3HD2 LEU 111 1HD2 LEU 111 9.555 7.498 4.965 967 H LYS 112 H LYS 112 11.813 10.614 9.623 968 HA LYS 112 HA LYS 112 10.720 13.128 8.810 969 1HB LYS 112 1HB LYS 112 11.834 12.448 11.532 970 2HB LYS 112 2HB LYS 112 10.575 13.622 11.141 971 1HG LYS 112 1HG LYS 112 10.400 10.619 10.783 972 2HG LYS 112 2HG LYS 112 9.533 11.584 11.977 973 1HD LYS 112 1HD LYS 112 7.914 11.397 10.311 974 2HD LYS 112 2HD LYS 112 8.690 12.914 9.861 975 1HE LYS 112 1HE LYS 112 9.679 12.009 7.980 976 2HE LYS 112 2HE LYS 112 9.879 10.423 8.726 977 1HZ LYS 112 3HZ LYS 112 7.166 10.807 8.584 978 2HZ LYS 112 1HZ LYS 112 7.753 11.394 7.101 979 3HZ LYS 112 2HZ LYS 112 8.100 9.805 7.579 980 H SER 113 H SER 113 13.974 12.403 10.239 981 HA SER 113 HA SER 113 14.615 15.238 9.926 982 1HB SER 113 1HB SER 113 15.725 14.345 11.739 983 2HB SER 113 2HB SER 113 16.122 12.833 10.901 984 HG SER 113 HG SER 113 17.814 14.563 11.197 985 H LYS 114 H LYS 114 14.657 12.606 7.776 986 HA LYS 114 HA LYS 114 16.885 13.740 6.184 987 1HB LYS 114 1HB LYS 114 16.233 11.874 4.575 988 2HB LYS 114 2HB LYS 114 16.824 11.350 6.150 989 1HG LYS 114 1HG LYS 114 14.701 10.709 6.883 990 2HG LYS 114 2HG LYS 114 13.875 11.780 5.755 991 1HD LYS 114 1HD LYS 114 13.554 9.816 4.606 992 2HD LYS 114 2HD LYS 114 15.161 10.194 3.984 993 1HE LYS 114 1HE LYS 114 14.559 8.426 6.375 994 2HE LYS 114 2HE LYS 114 15.081 7.868 4.785 995 1HZ LYS 114 3HZ LYS 114 17.002 9.574 5.250 996 2HZ LYS 114 1HZ LYS 114 16.600 9.249 6.869 997 3HZ LYS 114 2HZ LYS 114 17.077 7.986 5.836 998 H MET 115 H MET 115 13.391 13.523 6.234 999 HA MET 115 HA MET 115 13.102 14.904 3.626 1000 1HB MET 115 1HB MET 115 10.948 14.399 5.670 1001 2HB MET 115 2HB MET 115 10.770 14.583 3.920 1002 1HG MET 115 1HG MET 115 12.548 12.368 4.691 1003 2HG MET 115 2HG MET 115 10.878 12.154 5.212 1004 1HE MET 115 3HE MET 115 9.141 13.183 3.891 1005 2HE MET 115 1HE MET 115 9.444 13.915 2.316 1006 3HE MET 115 2HE MET 115 8.699 12.315 2.424 1007 H ILE 116 H ILE 116 13.182 15.597 7.023 1008 HA ILE 116 HA ILE 116 11.645 17.975 6.879 1009 HB ILE 116 HB ILE 116 13.355 16.483 8.789 1010 1HG1 ILE 116 1HG1 ILE 116 10.562 17.680 8.949 1011 2HG1 ILE 116 2HG1 ILE 116 10.934 15.987 8.618 1012 1HG2 ILE 116 3HG2 ILE 116 12.728 19.369 8.853 1013 2HG2 ILE 116 1HG2 ILE 116 12.857 18.467 10.366 1014 3HG2 ILE 116 2HG2 ILE 116 14.213 18.512 9.239 1015 1HD1 ILE 116 2HD1 ILE 116 12.205 16.009 10.855 1016 2HD1 ILE 116 3HD1 ILE 116 11.378 17.531 11.180 1017 3HD1 ILE 116 1HD1 ILE 116 10.446 16.052 10.945 1018 H TYR 117 H TYR 117 14.983 17.204 7.548 1019 HA TYR 117 HA TYR 117 15.998 19.857 7.604 1020 1HB TYR 117 1HB TYR 117 17.163 17.129 7.234 1021 2HB TYR 117 2HB TYR 117 18.196 18.570 7.098 1022 HD1 TYR 117 HD1 TYR 117 16.997 20.363 9.083 1023 HD2 TYR 117 HD2 TYR 117 17.712 16.146 9.303 1024 HE1 TYR 117 HE1 TYR 117 17.025 20.502 11.554 1025 HE2 TYR 117 HE2 TYR 117 17.723 16.285 11.786 1026 HH TYR 117 HH TYR 117 16.937 19.304 13.450 1027 H ALA 118 H ALA 118 15.211 17.640 5.130 1028 HA ALA 118 HA ALA 118 16.637 18.547 2.899 1029 1HB ALA 118 1HB ALA 118 14.208 17.115 3.533 1030 2HB ALA 118 2HB ALA 118 13.961 18.149 2.119 1031 3HB ALA 118 3HB ALA 118 15.250 16.941 2.112 1032 H SER 119 H SER 119 13.714 19.796 4.467 1033 HA SER 119 HA SER 119 13.859 22.249 2.765 1034 1HB SER 119 1HB SER 119 11.704 20.764 3.079 1035 2HB SER 119 2HB SER 119 11.589 21.625 4.611 1036 HG SER 119 HG SER 119 11.740 23.582 3.369 1037 H SER 120 H SER 120 14.810 21.113 5.753 1038 HA SER 120 HA SER 120 14.143 23.527 7.301 1039 1HB SER 120 1HB SER 120 14.760 21.025 8.125 1040 2HB SER 120 2HB SER 120 16.346 21.790 8.246 1041 HG SER 120 HG SER 120 14.330 23.362 9.186 1042 H LYS 121 H LYS 121 16.748 22.388 5.325 1043 HA LYS 121 HA LYS 121 18.578 24.480 6.193 1044 1HB LYS 121 1HB LYS 121 18.685 22.149 4.479 1045 2HB LYS 121 2HB LYS 121 19.505 23.564 3.801 1046 1HG LYS 121 1HG LYS 121 20.833 23.855 5.741 1047 2HG LYS 121 2HG LYS 121 19.868 22.709 6.674 1048 1HD LYS 121 1HD LYS 121 22.007 21.717 5.843 1049 2HD LYS 121 2HD LYS 121 20.586 20.875 5.214 1050 1HE LYS 121 1HE LYS 121 21.395 23.150 3.559 1051 2HE LYS 121 2HE LYS 121 22.652 21.918 3.675 1052 1HZ LYS 121 3HZ LYS 121 20.469 20.417 3.314 1053 2HZ LYS 121 1HZ LYS 121 20.048 21.795 2.414 1054 3HZ LYS 121 2HZ LYS 121 21.471 20.949 2.049 1055 H ASP 122 H ASP 122 17.129 25.969 5.940 1056 HA ASP 122 HA ASP 122 17.232 27.734 3.739 1057 1HB ASP 122 1HB ASP 122 15.437 25.620 3.271 1058 2HB ASP 122 2HB ASP 122 14.415 26.920 3.884 1059 H ALA 123 H ALA 123 15.413 26.280 6.322 1060 HA ALA 123 HA ALA 123 14.373 28.812 7.403 1061 1HB ALA 123 2HB ALA 123 13.571 26.250 7.642 1062 2HB ALA 123 3HB ALA 123 14.624 26.342 9.059 1063 3HB ALA 123 1HB ALA 123 13.252 27.447 8.904 1064 H ILE 124 H ILE 124 16.705 26.331 8.416 1065 HA ILE 124 HA ILE 124 17.986 27.745 10.507 1066 HB ILE 124 HB ILE 124 18.299 25.349 10.056 1067 1HG1 ILE 124 1HG1 ILE 124 21.011 26.379 9.558 1068 2HG1 ILE 124 2HG1 ILE 124 20.161 27.133 10.905 1069 1HG2 ILE 124 3HG2 ILE 124 18.234 25.717 7.555 1070 2HG2 ILE 124 1HG2 ILE 124 19.914 26.249 7.678 1071 3HG2 ILE 124 2HG2 ILE 124 19.479 24.596 8.117 1072 1HD1 ILE 124 3HD1 ILE 124 20.023 24.169 10.668 1073 2HD1 ILE 124 1HD1 ILE 124 21.557 24.878 11.215 1074 3HD1 ILE 124 2HD1 ILE 124 20.065 25.187 12.136 1075 H LYS 125 H LYS 125 18.428 27.556 7.043 1076 HA LYS 125 HA LYS 125 20.795 29.070 6.732 1077 1HB LYS 125 1HB LYS 125 18.508 28.232 5.098 1078 2HB LYS 125 2HB LYS 125 19.211 29.760 4.574 1079 1HG LYS 125 1HG LYS 125 20.308 27.895 3.437 1080 2HG LYS 125 2HG LYS 125 21.442 28.693 4.523 1081 1HD LYS 125 1HD LYS 125 19.957 26.568 5.856 1082 2HD LYS 125 2HD LYS 125 20.875 25.972 4.473 1083 1HE LYS 125 1HE LYS 125 21.981 27.645 6.743 1084 2HE LYS 125 2HE LYS 125 22.265 25.931 6.491 1085 1HZ LYS 125 3HZ LYS 125 22.848 27.420 4.147 1086 2HZ LYS 125 1HZ LYS 125 23.744 28.001 5.468 1087 3HZ LYS 125 2HZ LYS 125 23.850 26.367 5.028 1088 H LYS 126 H LYS 126 17.411 30.098 7.129 1089 HA LYS 126 HA LYS 126 17.787 32.869 6.548 1090 1HB LYS 126 1HB LYS 126 15.725 31.203 7.748 1091 2HB LYS 126 2HB LYS 126 15.851 32.761 8.566 1092 1HG LYS 126 1HG LYS 126 15.949 33.681 6.077 1093 2HG LYS 126 2HG LYS 126 15.117 32.165 5.726 1094 1HD LYS 126 1HD LYS 126 14.229 34.320 7.662 1095 2HD LYS 126 2HD LYS 126 13.433 33.847 6.160 1096 1HE LYS 126 1HE LYS 126 12.270 32.275 7.271 1097 2HE LYS 126 2HE LYS 126 13.780 31.495 7.740 1098 1HZ LYS 126 2HZ LYS 126 13.670 33.625 9.393 1099 2HZ LYS 126 3HZ LYS 126 12.033 33.186 9.277 1100 3HZ LYS 126 1HZ LYS 126 13.184 32.052 9.801 1101 H LYS 127 H LYS 127 18.900 30.987 9.107 1102 HA LYS 127 HA LYS 127 19.717 33.410 10.617 1103 1HB LYS 127 1HB LYS 127 18.829 30.733 11.735 1104 2HB LYS 127 2HB LYS 127 19.513 32.047 12.693 1105 1HG LYS 127 1HG LYS 127 17.022 32.307 10.984 1106 2HG LYS 127 2HG LYS 127 17.001 32.001 12.722 1107 1HD LYS 127 1HD LYS 127 17.525 34.153 13.225 1108 2HD LYS 127 2HD LYS 127 18.713 34.260 11.927 1109 1HE LYS 127 1HE LYS 127 17.235 35.250 10.535 1110 2HE LYS 127 2HE LYS 127 15.994 34.048 10.889 1111 1HZ LYS 127 3HZ LYS 127 16.681 36.286 12.712 1112 2HZ LYS 127 1HZ LYS 127 15.426 36.357 11.569 1113 3HZ LYS 127 2HZ LYS 127 15.359 35.226 12.831 1114 H PHE 128 H PHE 128 20.646 30.758 8.823 1115 HA PHE 128 HA PHE 128 23.209 30.394 10.299 1116 1HB PHE 128 1HB PHE 128 21.604 28.728 8.455 1117 2HB PHE 128 2HB PHE 128 23.352 28.648 8.213 1118 HD1 PHE 128 HD2 PHE 128 21.662 29.614 11.265 1119 HD2 PHE 128 HD1 PHE 128 23.795 26.439 9.303 1120 HE1 PHE 128 HE2 PHE 128 21.842 28.397 13.407 1121 HE2 PHE 128 HE1 PHE 128 23.979 25.246 11.481 1122 HZ PHE 128 HZ PHE 128 23.003 26.219 13.525 1123 H GLN 129 H GLN 129 22.596 32.716 9.122 1124 HA GLN 129 HA GLN 129 23.492 33.361 6.583 1125 1HB GLN 129 1HB GLN 129 24.523 34.974 8.884 1126 2HB GLN 129 2HB GLN 129 23.872 35.531 7.342 1127 1HG GLN 129 1HG GLN 129 22.300 34.237 9.582 1128 2HG GLN 129 2HG GLN 129 22.263 35.944 9.144 1129 1HE2 GLN 129 2HE2 GLN 129 19.388 34.937 7.256 1130 2HE2 GLN 129 1HE2 GLN 129 19.897 35.662 8.704 1131 H GLY 130 H GLY 130 25.662 33.417 9.423 1132 1HA GLY 130 1HA GLY 130 27.946 32.891 7.594 1133 2HA GLY 130 2HA GLY 130 28.077 33.490 9.248 1134 H ILE 131 H ILE 131 26.730 30.609 7.582 1135 HA ILE 131 HA ILE 131 26.934 28.865 9.775 1136 HB ILE 131 HB ILE 131 26.240 28.731 7.021 1137 1HG1 ILE 131 1HG1 ILE 131 24.716 27.834 8.512 1138 2HG1 ILE 131 2HG1 ILE 131 25.436 26.416 7.752 1139 1HG2 ILE 131 2HG2 ILE 131 28.495 27.726 6.784 1140 2HG2 ILE 131 3HG2 ILE 131 27.967 26.458 7.912 1141 3HG2 ILE 131 1HG2 ILE 131 27.169 26.646 6.352 1142 1HD1 ILE 131 3HD1 ILE 131 27.172 26.620 9.680 1143 2HD1 ILE 131 1HD1 ILE 131 25.880 27.556 10.469 1144 3HD1 ILE 131 2HD1 ILE 131 25.579 25.875 10.000 1145 H LYS 132 H LYS 132 29.209 30.016 7.513 1146 HA LYS 132 HA LYS 132 31.584 29.913 7.646 1147 1HB LYS 132 1HB LYS 132 31.337 27.620 9.590 1148 2HB LYS 132 2HB LYS 132 32.697 28.718 9.365 1149 1HG LYS 132 1HG LYS 132 30.063 29.231 10.705 1150 2HG LYS 132 2HG LYS 132 31.683 29.515 11.329 1151 1HD LYS 132 1HD LYS 132 30.349 31.054 9.089 1152 2HD LYS 132 2HD LYS 132 30.676 31.654 10.714 1153 1HE LYS 132 1HE LYS 132 32.941 31.868 10.332 1154 2HE LYS 132 2HE LYS 132 32.976 30.551 9.161 1155 1HZ LYS 132 2HZ LYS 132 31.441 32.256 7.864 1156 2HZ LYS 132 3HZ LYS 132 32.349 33.370 8.772 1157 3HZ LYS 132 1HZ LYS 132 33.131 32.275 7.735 1158 H HIS 133 H HIS 133 29.738 26.884 8.020 1159 HA HIS 133 HA HIS 133 30.891 26.078 5.384 1160 1HB HIS 133 1HB HIS 133 31.722 24.949 7.964 1161 2HB HIS 133 2HB HIS 133 31.432 23.799 6.661 1162 HD1 HIS 133 HD1 HIS 133 32.387 25.688 4.316 1163 HD2 HIS 133 HD2 HIS 133 34.487 25.010 7.842 1164 HE1 HIS 133 HE1 HIS 133 34.817 26.186 3.800 1165 H GLU 134 H GLU 134 28.624 25.923 4.687 1166 HA GLU 134 HA GLU 134 26.835 24.118 6.016 1167 1HB GLU 134 1HB GLU 134 25.502 25.159 4.601 1168 2HB GLU 134 2HB GLU 134 26.817 25.588 3.509 1169 1HG GLU 134 1HG GLU 134 26.716 23.463 2.420 1170 2HG GLU 134 2HG GLU 134 25.699 22.789 3.699 1171 H CYS 135 H CYS 135 27.499 22.139 6.347 1172 HA CYS 135 HA CYS 135 28.720 20.592 4.080 1173 1HB CYS 135 1HB CYS 135 30.158 21.072 6.235 1174 2HB CYS 135 2HB CYS 135 29.161 19.816 6.963 1175 HG CYS 135 HG CYS 135 31.220 18.643 5.853 1176 H GLN 136 H GLN 136 28.260 18.221 4.184 1177 HA GLN 136 HA GLN 136 25.820 17.604 5.711 1178 1HB GLN 136 1HB GLN 136 25.146 18.103 3.350 1179 2HB GLN 136 2HB GLN 136 26.184 16.771 2.821 1180 1HG GLN 136 1HG GLN 136 24.834 15.149 3.786 1181 2HG GLN 136 2HG GLN 136 24.205 16.255 5.004 1182 1HE2 GLN 136 2HE2 GLN 136 21.340 16.993 3.152 1183 2HE2 GLN 136 1HE2 GLN 136 22.159 17.106 4.624 1184 H ALA 137 H ALA 137 25.437 15.227 5.844 1185 HA ALA 137 HA ALA 137 28.050 13.793 5.993 1186 1HB ALA 137 1HB ALA 137 27.115 14.464 8.163 1187 2HB ALA 137 2HB ALA 137 25.647 13.589 7.773 1188 3HB ALA 137 3HB ALA 137 27.154 12.721 7.963 1189 H ASN 138 H ASN 138 25.653 11.885 7.056 1190 HA ASN 138 HA ASN 138 24.245 10.235 6.120 1191 1HB ASN 138 1HB ASN 138 25.571 10.893 3.477 1192 2HB ASN 138 2HB ASN 138 24.260 9.733 3.728 1193 1HD2 ASN 138 2HD2 ASN 138 23.350 13.737 3.691 1194 2HD2 ASN 138 1HD2 ASN 138 24.949 13.217 3.496 1195 H GLY 139 H GLY 139 26.681 10.473 7.338 1196 1HA GLY 139 1HA GLY 139 27.515 7.928 7.810 1197 2HA GLY 139 2HA GLY 139 28.593 8.513 6.509 1198 HA PRO 140 HA PRO 140 29.265 10.911 10.584 1199 1HB PRO 140 1HB PRO 140 30.856 9.170 12.048 1200 2HB PRO 140 2HB PRO 140 29.110 9.361 12.302 1201 1HG PRO 140 1HG PRO 140 30.581 7.166 10.896 1202 2HG PRO 140 2HG PRO 140 29.072 7.092 11.822 1203 1HD PRO 140 1HD PRO 140 29.189 7.107 9.033 1204 2HD PRO 140 2HD PRO 140 27.768 7.618 9.973 1205 H GLU 141 H GLU 141 30.644 9.119 8.146 1206 HA GLU 141 HA GLU 141 33.414 10.090 8.371 1207 1HB GLU 141 1HB GLU 141 32.346 8.454 6.113 1208 2HB GLU 141 2HB GLU 141 33.901 8.315 6.964 1209 1HG GLU 141 1HG GLU 141 32.243 7.820 8.997 1210 2HG GLU 141 2HG GLU 141 31.228 7.246 7.679 1211 H ASP 142 H ASP 142 30.347 10.807 6.852 1212 HA ASP 142 HA ASP 142 31.537 12.140 4.553 1213 1HB ASP 142 1HB ASP 142 28.802 12.101 5.835 1214 2HB ASP 142 2HB ASP 142 29.183 13.284 4.584 1215 H LEU 143 H LEU 143 31.460 12.571 7.884 1216 HA LEU 143 HA LEU 143 31.820 15.530 7.701 1217 1HB LEU 143 1HB LEU 143 31.489 13.734 10.107 1218 2HB LEU 143 2HB LEU 143 31.626 15.484 10.164 1219 HG LEU 143 HG LEU 143 29.379 15.545 10.066 1220 1HD1 LEU 143 3HD1 LEU 143 30.102 15.642 7.498 1221 2HD1 LEU 143 1HD1 LEU 143 29.213 14.123 7.442 1222 3HD1 LEU 143 2HD1 LEU 143 28.421 15.604 7.974 1223 1HD2 LEU 143 3HD2 LEU 143 29.901 12.702 10.031 1224 2HD2 LEU 143 1HD2 LEU 143 28.584 13.588 10.801 1225 3HD2 LEU 143 2HD2 LEU 143 28.445 13.084 9.121 1226 H ASN 144 H ASN 144 33.518 12.760 7.483 1227 HA ASN 144 HA ASN 144 35.601 12.513 9.088 1228 1HB ASN 144 1HB ASN 144 35.401 11.244 7.015 1229 2HB ASN 144 2HB ASN 144 35.751 12.697 6.080 1230 1HD2 ASN 144 2HD2 ASN 144 38.821 11.622 8.500 1231 2HD2 ASN 144 1HD2 ASN 144 37.236 11.741 9.114 1232 H ARG 145 H ARG 145 37.462 13.557 9.495 1233 HA ARG 145 HA ARG 145 37.494 16.405 9.209 1234 1HB ARG 145 1HB ARG 145 40.000 16.010 9.930 1235 2HB ARG 145 2HB ARG 145 38.688 15.767 11.081 1236 1HG ARG 145 1HG ARG 145 39.060 13.543 11.211 1237 2HG ARG 145 2HG ARG 145 39.242 13.386 9.455 1238 1HD ARG 145 1HD ARG 145 41.424 12.963 10.008 1239 2HD ARG 145 2HD ARG 145 41.528 14.723 10.047 1240 HE ARG 145 HE ARG 145 41.378 14.622 12.486 1241 1HH1 ARG 145 1HH2 ARG 145 40.429 11.583 11.456 1242 2HH1 ARG 145 2HH2 ARG 145 41.413 10.697 12.574 1243 1HH2 ARG 145 1HH1 ARG 145 43.143 13.488 13.681 1244 2HH2 ARG 145 2HH1 ARG 145 42.946 11.773 13.832 1245 H ALA 146 H ALA 146 39.061 13.778 7.458 1246 HA ALA 146 HA ALA 146 40.843 15.350 5.858 1247 1HB ALA 146 1HB ALA 146 40.617 12.748 6.098 1248 2HB ALA 146 2HB ALA 146 39.375 12.914 4.847 1249 3HB ALA 146 3HB ALA 146 41.044 13.409 4.516 1250 H CYS 147 H CYS 147 37.509 14.438 5.742 1251 HA CYS 147 HA CYS 147 36.923 15.616 3.117 1252 1HB CYS 147 1HB CYS 147 35.764 13.720 4.545 1253 2HB CYS 147 2HB CYS 147 34.881 15.113 5.190 1254 HG CYS 147 HG CYS 147 34.135 13.844 2.659 1255 H ILE 148 H ILE 148 36.818 16.546 6.455 1256 HA ILE 148 HA ILE 148 35.315 18.942 5.922 1257 HB ILE 148 HB ILE 148 37.002 17.936 8.221 1258 1HG1 ILE 148 1HG1 ILE 148 35.189 16.677 8.634 1259 2HG1 ILE 148 2HG1 ILE 148 34.353 18.164 9.052 1260 1HG2 ILE 148 2HG2 ILE 148 35.347 20.393 7.836 1261 2HG2 ILE 148 3HG2 ILE 148 35.847 19.812 9.428 1262 3HG2 ILE 148 1HG2 ILE 148 37.059 20.264 8.223 1263 1HD1 ILE 148 2HD1 ILE 148 34.459 17.012 6.246 1264 2HD1 ILE 148 3HD1 ILE 148 33.156 16.685 7.386 1265 3HD1 ILE 148 1HD1 ILE 148 33.439 18.344 6.817 1266 H ALA 149 H ALA 149 38.319 17.558 5.660 1267 HA ALA 149 HA ALA 149 39.910 20.023 5.428 1268 1HB ALA 149 1HB ALA 149 40.490 17.071 5.309 1269 2HB ALA 149 2HB ALA 149 41.713 18.291 4.960 1270 3HB ALA 149 3HB ALA 149 40.986 18.199 6.564 1271 H GLU 150 H GLU 150 37.710 19.150 3.795 1272 HA GLU 150 HA GLU 150 38.869 19.327 1.092 1273 1HB GLU 150 1HB GLU 150 38.048 17.252 0.745 1274 2HB GLU 150 2HB GLU 150 37.194 17.254 2.289 1275 1HG GLU 150 1HG GLU 150 35.310 18.374 1.358 1276 2HG GLU 150 2HG GLU 150 36.186 18.786 -0.116 1277 H LYS 151 H LYS 151 36.194 19.721 3.346 1278 HA LYS 151 HA LYS 151 34.690 21.587 1.716 1279 1HB LYS 151 1HB LYS 151 33.200 20.913 3.299 1280 2HB LYS 151 2HB LYS 151 34.491 20.195 4.263 1281 1HG LYS 151 1HG LYS 151 34.949 22.238 5.365 1282 2HG LYS 151 2HG LYS 151 33.968 23.163 4.224 1283 1HD LYS 151 1HD LYS 151 32.859 20.998 6.034 1284 2HD LYS 151 2HD LYS 151 32.825 22.720 6.429 1285 1HE LYS 151 1HE LYS 151 31.221 21.205 4.443 1286 2HE LYS 151 2HE LYS 151 30.784 22.628 5.378 1287 1HZ LYS 151 1HZ LYS 151 32.299 23.904 3.898 1288 2HZ LYS 151 2HZ LYS 151 32.457 22.526 2.931 1289 3HZ LYS 151 3HZ LYS 151 30.940 23.262 3.118 1290 H LEU 152 H LEU 152 37.341 21.486 3.909 1291 HA LEU 152 HA LEU 152 37.719 24.450 3.768 1292 1HB LEU 152 1HB LEU 152 38.832 22.472 5.795 1293 2HB LEU 152 2HB LEU 152 39.119 24.209 5.788 1294 HG LEU 152 HG LEU 152 36.285 23.720 5.728 1295 1HD1 LEU 152 1HD1 LEU 152 37.886 21.872 7.326 1296 2HD1 LEU 152 2HD1 LEU 152 36.764 22.809 8.321 1297 3HD1 LEU 152 3HD1 LEU 152 36.156 21.839 6.977 1298 1HD2 LEU 152 2HD2 LEU 152 38.207 24.875 7.773 1299 2HD2 LEU 152 3HD2 LEU 152 37.323 25.771 6.537 1300 3HD2 LEU 152 1HD2 LEU 152 36.451 25.019 7.874 1301 H GLY 153 H GLY 153 39.191 21.219 3.797 1302 1HA GLY 153 1HA GLY 153 41.747 22.192 2.731 1303 2HA GLY 153 2HA GLY 153 41.335 20.536 3.119 1304 H GLY 154 H GLY 154 38.891 21.830 1.423 1305 1HA GLY 154 1HA GLY 154 39.985 20.779 -1.167 1306 2HA GLY 154 2HA GLY 154 38.264 20.749 -0.767 1307 H SER 155 H SER 155 40.179 23.399 0.247 1308 HA SER 155 HA SER 155 39.406 25.097 -2.029 1309 1HB SER 155 1HB SER 155 38.819 26.409 0.508 1310 2HB SER 155 2HB SER 155 37.828 26.282 -0.939 1311 HG SER 155 HG SER 155 37.380 25.092 1.286 1312 H LEU 156 H LEU 156 40.425 26.008 1.260 1313 HA LEU 156 HA LEU 156 43.197 26.439 0.358 1314 1HB LEU 156 1HB LEU 156 41.816 28.842 1.457 1315 2HB LEU 156 2HB LEU 156 43.228 28.745 0.407 1316 HG LEU 156 HG LEU 156 41.593 27.769 -1.332 1317 1HD1 LEU 156 3HD1 LEU 156 39.809 28.004 0.783 1318 2HD1 LEU 156 1HD1 LEU 156 39.401 29.343 -0.292 1319 3HD1 LEU 156 2HD1 LEU 156 39.404 27.688 -0.909 1320 1HD2 LEU 156 3HD2 LEU 156 42.669 30.108 -1.224 1321 2HD2 LEU 156 1HD2 LEU 156 41.238 29.922 -2.237 1322 3HD2 LEU 156 2HD2 LEU 156 41.097 30.652 -0.638 1323 H ILE 157 H ILE 157 43.059 24.794 2.455 1324 HA ILE 157 HA ILE 157 43.379 26.662 4.743 1325 HB ILE 157 HB ILE 157 42.974 24.709 6.215 1326 1HG1 ILE 157 1HG1 ILE 157 42.073 23.464 3.621 1327 2HG1 ILE 157 2HG1 ILE 157 43.494 22.946 4.563 1328 1HG2 ILE 157 1HG2 ILE 157 41.231 26.408 4.942 1329 2HG2 ILE 157 2HG2 ILE 157 40.533 24.824 4.605 1330 3HG2 ILE 157 3HG2 ILE 157 40.814 25.328 6.273 1331 1HD1 ILE 157 3HD1 ILE 157 41.620 23.110 6.491 1332 2HD1 ILE 157 1HD1 ILE 157 40.629 22.593 5.118 1333 3HD1 ILE 157 2HD1 ILE 157 42.003 21.613 5.622 1334 H VAL 158 H VAL 158 44.662 24.270 6.152 1335 HA VAL 158 HA VAL 158 47.173 23.899 4.735 1336 HB VAL 158 HB VAL 158 46.868 25.814 7.028 1337 1HG1 VAL 158 2HG1 VAL 158 49.295 24.117 6.394 1338 2HG1 VAL 158 3HG1 VAL 158 49.360 25.580 7.379 1339 3HG1 VAL 158 1HG1 VAL 158 48.415 24.192 7.920 1340 1HG2 VAL 158 3HG2 VAL 158 48.478 25.739 4.461 1341 2HG2 VAL 158 1HG2 VAL 158 47.092 26.769 4.816 1342 3HG2 VAL 158 2HG2 VAL 158 48.619 27.019 5.667 1343 H ALA 159 H ALA 159 45.131 23.493 7.504 1344 HA ALA 159 HA ALA 159 46.482 20.938 8.152 1345 1HB ALA 159 3HB ALA 159 45.254 22.954 10.038 1346 2HB ALA 159 1HB ALA 159 45.751 21.326 10.506 1347 3HB ALA 159 2HB ALA 159 46.954 22.490 9.957 1348 H PHE 160 H PHE 160 45.102 19.295 8.699 1349 HA PHE 160 HA PHE 160 42.992 18.168 8.868 1350 1HB PHE 160 1HB PHE 160 42.044 20.860 8.696 1351 2HB PHE 160 2HB PHE 160 41.316 19.983 7.350 1352 HD1 PHE 160 HD1 PHE 160 42.381 18.547 10.570 1353 HD2 PHE 160 HD2 PHE 160 39.088 19.830 8.160 1354 HE1 PHE 160 HE1 PHE 160 40.802 17.495 12.183 1355 HE2 PHE 160 HE2 PHE 160 37.499 18.770 9.758 1356 HZ PHE 160 HZ PHE 160 38.354 17.613 11.761 1357 H GLU 161 H GLU 161 43.894 20.330 6.357 1358 HA GLU 161 HA GLU 161 43.644 18.286 4.228 1359 1HB GLU 161 1HB GLU 161 42.725 20.794 4.174 1360 2HB GLU 161 2HB GLU 161 44.394 21.155 3.769 1361 1HG GLU 161 1HG GLU 161 42.570 19.256 2.268 1362 2HG GLU 161 2HG GLU 161 43.085 20.856 1.740 1363 H GLY 162 H GLY 162 45.828 20.116 6.271 1364 1HA GLY 162 1HA GLY 162 48.086 19.119 4.568 1365 2HA GLY 162 2HA GLY 162 48.125 20.690 5.334 1366 H CYS 163 H CYS 163 48.150 20.644 7.830 1367 HA CYS 163 HA CYS 163 50.275 19.017 8.672 1368 1HB CYS 163 1HB CYS 163 50.113 20.966 9.875 1369 2HB CYS 163 2HB CYS 163 48.389 20.776 10.153 1370 HG CYS 163 HG CYS 163 50.432 18.855 11.554 1371 HA PRO 164 HA PRO 164 47.614 16.120 11.270 1372 1HB PRO 164 1HB PRO 164 44.900 16.569 11.349 1373 2HB PRO 164 2HB PRO 164 46.042 17.236 12.531 1374 1HG PRO 164 1HG PRO 164 44.704 18.584 10.226 1375 2HG PRO 164 2HG PRO 164 45.183 19.262 11.787 1376 1HD PRO 164 1HD PRO 164 46.658 19.654 9.446 1377 2HD PRO 164 2HD PRO 164 47.329 19.731 11.079 1378 H VAL 165 H VAL 165 45.860 17.395 8.432 1379 HA VAL 165 HA VAL 165 46.089 14.722 7.203 1380 HB VAL 165 HB VAL 165 43.367 15.339 6.746 1381 1HG1 VAL 165 3HG1 VAL 165 45.048 13.199 7.588 1382 2HG1 VAL 165 1HG1 VAL 165 43.691 13.283 8.711 1383 3HG1 VAL 165 2HG1 VAL 165 43.394 13.105 6.982 1384 1HG2 VAL 165 3HG2 VAL 165 43.916 16.630 9.065 1385 2HG2 VAL 165 1HG2 VAL 165 42.385 15.810 8.782 1386 3HG2 VAL 165 2HG2 VAL 165 43.660 15.006 9.696 No H/Q in entry = 1386 Start of MODEL 10 1 1H THR -8 2H THR -8 -12.854 6.017 12.361 2 2H THR -8 3H THR -8 -14.440 5.470 12.612 3 3H THR -8 1H THR -8 -13.222 5.085 13.733 4 HA THR -8 HA THR -8 -13.425 3.132 12.546 5 HB THR -8 HB THR -8 -13.365 4.622 9.925 6 HG1 THR -8 HG1 THR -8 -15.820 3.917 10.431 7 1HG2 THR -8 3HG2 THR -8 -13.318 1.933 10.655 8 2HG2 THR -8 1HG2 THR -8 -14.994 2.218 10.188 9 3HG2 THR -8 2HG2 THR -8 -13.690 2.567 9.052 10 H MET -7 H MET -7 -11.206 3.774 13.629 11 HA MET -7 HA MET -7 -8.870 3.649 13.490 12 1HB MET -7 1HB MET -7 -9.689 1.734 11.871 13 2HB MET -7 2HB MET -7 -9.085 2.816 10.615 14 1HG MET -7 1HG MET -7 -7.470 1.914 13.017 15 2HG MET -7 2HG MET -7 -7.359 1.186 11.415 16 1HE MET -7 3HE MET -7 -6.667 1.879 9.608 17 2HE MET -7 1HE MET -7 -6.643 3.556 9.071 18 3HE MET -7 2HE MET -7 -5.137 2.750 9.527 19 H ILE -6 H ILE -6 -8.587 5.934 13.594 20 HA ILE -6 HA ILE -6 -8.181 7.271 10.949 21 HB ILE -6 HB ILE -6 -8.499 8.692 13.597 22 1HG1 ILE -6 1HG1 ILE -6 -10.808 8.397 11.714 23 2HG1 ILE -6 2HG1 ILE -6 -10.445 7.049 12.791 24 1HG2 ILE -6 3HG2 ILE -6 -7.637 9.767 11.382 25 2HG2 ILE -6 1HG2 ILE -6 -9.319 9.656 10.864 26 3HG2 ILE -6 2HG2 ILE -6 -8.896 10.604 12.289 27 1HD1 ILE -6 3HD1 ILE -6 -10.400 9.690 14.101 28 2HD1 ILE -6 1HD1 ILE -6 -11.982 9.210 13.486 29 3HD1 ILE -6 2HD1 ILE -6 -11.133 8.178 14.639 30 H THR -5 H THR -5 -6.172 8.264 10.572 31 HA THR -5 HA THR -5 -4.214 8.488 12.735 32 HB THR -5 HB THR -5 -2.749 7.027 10.850 33 HG1 THR -5 HG1 THR -5 -4.188 5.048 11.060 34 1HG2 THR -5 3HG2 THR -5 -3.467 6.937 13.623 35 2HG2 THR -5 1HG2 THR -5 -3.569 5.304 12.963 36 3HG2 THR -5 2HG2 THR -5 -2.067 6.217 12.830 37 HA PRO -4 HA PRO -4 -3.144 11.697 9.834 38 1HB PRO -4 1HB PRO -4 -1.282 12.891 11.465 39 2HB PRO -4 2HB PRO -4 -3.031 13.105 11.660 40 1HG PRO -4 1HG PRO -4 -1.143 11.489 13.304 41 2HG PRO -4 2HG PRO -4 -2.690 12.218 13.765 42 1HD PRO -4 1HD PRO -4 -2.253 9.487 13.142 43 2HD PRO -4 2HD PRO -4 -3.829 10.287 13.314 44 H SER -3 H SER -3 -1.101 12.427 8.735 45 HA SER -3 HA SER -3 0.480 10.370 7.725 46 1HB SER -3 1HB SER -3 0.534 12.562 6.699 47 2HB SER -3 2HB SER -3 1.206 13.280 8.162 48 HG SER -3 HG SER -3 2.683 12.653 6.339 49 H SER -2 H SER -2 1.920 12.752 9.956 50 HA SER -2 HA SER -2 2.764 10.883 11.938 51 1HB SER -2 1HB SER -2 4.640 11.327 9.623 52 2HB SER -2 2HB SER -2 5.274 11.004 11.234 53 HG SER -2 HG SER -2 4.090 9.327 9.442 54 H GLY -1 H GLY -1 3.409 13.861 10.166 55 1HA GLY -1 1HA GLY -1 3.182 15.883 11.761 56 2HA GLY -1 2HA GLY -1 4.460 15.084 12.682 57 H ASN 0 H ASN 0 5.169 17.525 11.914 58 HA ASN 0 HA ASN 0 6.552 18.817 10.475 59 1HB ASN 0 1HB ASN 0 8.657 17.461 9.882 60 2HB ASN 0 2HB ASN 0 8.272 17.618 11.595 61 1HD2 ASN 0 2HD2 ASN 0 8.066 13.963 9.797 62 2HD2 ASN 0 1HD2 ASN 0 8.382 15.359 8.885 63 H SER 1 H SER 1 4.343 17.289 9.127 64 HA SER 1 HA SER 1 5.218 16.104 6.708 65 1HB SER 1 1HB SER 1 2.881 17.248 5.954 66 2HB SER 1 2HB SER 1 2.968 15.775 6.920 67 HG SER 1 HG SER 1 1.778 17.933 7.611 68 H ALA 2 H ALA 2 5.329 16.991 4.564 69 HA ALA 2 HA ALA 2 6.179 18.559 3.034 70 1HB ALA 2 3HB ALA 2 3.748 19.411 3.957 71 2HB ALA 2 1HB ALA 2 4.763 20.806 4.315 72 3HB ALA 2 2HB ALA 2 4.651 20.201 2.663 73 H SER 3 H SER 3 7.676 18.267 5.635 74 HA SER 3 HA SER 3 9.384 19.392 6.810 75 1HB SER 3 1HB SER 3 10.862 19.739 5.130 76 2HB SER 3 2HB SER 3 9.566 20.056 3.981 77 HG SER 3 HG SER 3 10.239 22.043 4.113 78 H GLY 4 H GLY 4 8.316 20.533 8.460 79 1HA GLY 4 1HA GLY 4 7.464 23.305 7.733 80 2HA GLY 4 2HA GLY 4 6.614 22.339 8.934 81 H VAL 5 H VAL 5 9.454 21.367 9.772 82 HA VAL 5 HA VAL 5 9.777 22.778 12.109 83 HB VAL 5 HB VAL 5 11.464 21.296 12.192 84 1HG1 VAL 5 2HG1 VAL 5 11.750 21.595 9.190 85 2HG1 VAL 5 3HG1 VAL 5 12.622 20.420 10.177 86 3HG1 VAL 5 1HG1 VAL 5 10.871 20.319 10.031 87 1HG2 VAL 5 1HG2 VAL 5 12.653 23.479 12.259 88 2HG2 VAL 5 2HG2 VAL 5 13.660 22.190 11.593 89 3HG2 VAL 5 3HG2 VAL 5 12.905 23.364 10.515 90 H GLN 6 H GLN 6 11.035 24.569 12.788 91 HA GLN 6 HA GLN 6 11.647 26.471 10.576 92 1HB GLN 6 1HB GLN 6 10.398 28.190 11.811 93 2HB GLN 6 2HB GLN 6 9.375 26.802 11.397 94 1HG GLN 6 1HG GLN 6 10.613 26.025 13.716 95 2HG GLN 6 2HG GLN 6 10.222 27.725 14.019 96 1HE2 GLN 6 2HE2 GLN 6 7.142 25.105 13.273 97 2HE2 GLN 6 1HE2 GLN 6 8.680 24.776 12.643 98 H VAL 7 H VAL 7 13.728 25.220 12.122 99 HA VAL 7 HA VAL 7 15.526 25.764 13.546 100 HB VAL 7 HB VAL 7 16.575 27.384 12.527 101 1HG1 VAL 7 1HG1 VAL 7 14.926 26.727 10.763 102 2HG1 VAL 7 2HG1 VAL 7 13.988 28.157 11.198 103 3HG1 VAL 7 3HG1 VAL 7 15.620 28.336 10.565 104 1HG2 VAL 7 3HG2 VAL 7 14.356 29.237 13.416 105 2HG2 VAL 7 1HG2 VAL 7 15.914 29.001 14.208 106 3HG2 VAL 7 2HG2 VAL 7 15.830 29.772 12.628 107 H ALA 8 H ALA 8 15.346 25.593 15.488 108 HA ALA 8 HA ALA 8 13.423 26.427 17.298 109 1HB ALA 8 2HB ALA 8 15.934 25.186 17.226 110 2HB ALA 8 3HB ALA 8 16.093 26.480 18.422 111 3HB ALA 8 1HB ALA 8 14.837 25.246 18.613 112 H ASP 9 H ASP 9 15.967 28.222 15.818 113 HA ASP 9 HA ASP 9 16.162 30.625 15.751 114 1HB ASP 9 1HB ASP 9 15.015 30.641 18.543 115 2HB ASP 9 2HB ASP 9 15.309 32.016 17.483 116 H GLU 10 H GLU 10 16.681 28.408 18.339 117 HA GLU 10 HA GLU 10 18.878 29.669 19.617 118 1HB GLU 10 1HB GLU 10 18.201 27.861 20.870 119 2HB GLU 10 2HB GLU 10 17.633 26.978 19.460 120 1HG GLU 10 1HG GLU 10 19.579 25.843 19.245 121 2HG GLU 10 2HG GLU 10 20.551 27.274 19.583 122 H VAL 11 H VAL 11 18.350 28.337 16.488 123 HA VAL 11 HA VAL 11 20.999 27.457 15.768 124 HB VAL 11 HB VAL 11 20.239 28.208 13.414 125 1HG1 VAL 11 1HG1 VAL 11 20.116 25.890 14.273 126 2HG1 VAL 11 2HG1 VAL 11 18.527 26.247 14.953 127 3HG1 VAL 11 3HG1 VAL 11 18.765 26.276 13.206 128 1HG2 VAL 11 3HG2 VAL 11 18.540 29.841 14.334 129 2HG2 VAL 11 1HG2 VAL 11 17.910 28.727 13.122 130 3HG2 VAL 11 2HG2 VAL 11 17.574 28.451 14.831 131 H CYS 12 H CYS 12 19.427 30.686 15.695 132 HA CYS 12 HA CYS 12 21.716 31.947 14.446 133 1HB CYS 12 1HB CYS 12 19.451 32.988 14.501 134 2HB CYS 12 2HB CYS 12 19.607 33.195 16.246 135 HG CYS 12 HG CYS 12 21.954 34.462 14.805 136 H ARG 13 H ARG 13 21.293 30.573 17.467 137 HA ARG 13 HA ARG 13 23.471 32.234 18.638 138 1HB ARG 13 1HB ARG 13 21.714 30.383 20.244 139 2HB ARG 13 2HB ARG 13 22.660 31.758 20.806 140 1HG ARG 13 1HG ARG 13 20.621 32.448 18.791 141 2HG ARG 13 2HG ARG 13 19.962 31.831 20.306 142 1HD ARG 13 1HD ARG 13 21.916 33.542 21.202 143 2HD ARG 13 2HD ARG 13 21.340 34.375 19.759 144 HE ARG 13 HE ARG 13 19.246 34.708 20.835 145 1HH1 ARG 13 1HH1 ARG 13 18.314 32.272 21.868 146 2HH1 ARG 13 2HH1 ARG 13 18.622 32.332 23.572 147 1HH2 ARG 13 1HH2 ARG 13 20.940 34.901 23.328 148 2HH2 ARG 13 2HH2 ARG 13 20.109 33.822 24.398 149 H ILE 14 H ILE 14 22.618 29.250 17.300 150 HA ILE 14 HA ILE 14 24.552 27.663 18.783 151 HB ILE 14 HB ILE 14 23.029 27.181 16.193 152 1HG1 ILE 14 1HG1 ILE 14 22.735 25.533 18.669 153 2HG1 ILE 14 2HG1 ILE 14 21.996 27.125 18.644 154 1HG2 ILE 14 2HG2 ILE 14 25.374 25.904 17.233 155 2HG2 ILE 14 3HG2 ILE 14 24.002 24.792 17.375 156 3HG2 ILE 14 1HG2 ILE 14 24.435 25.465 15.800 157 1HD1 ILE 14 1HD1 ILE 14 21.522 25.620 16.163 158 2HD1 ILE 14 2HD1 ILE 14 20.868 24.814 17.592 159 3HD1 ILE 14 3HD1 ILE 14 20.366 26.458 17.204 160 H PHE 15 H PHE 15 24.317 29.287 15.667 161 HA PHE 15 HA PHE 15 27.022 28.658 14.861 162 1HB PHE 15 1HB PHE 15 26.342 29.654 12.938 163 2HB PHE 15 2HB PHE 15 24.778 29.938 13.710 164 HD1 PHE 15 HD2 PHE 15 28.245 31.413 13.676 165 HD2 PHE 15 HD1 PHE 15 24.011 32.061 13.846 166 HE1 PHE 15 HE2 PHE 15 28.617 33.866 13.634 167 HE2 PHE 15 HE1 PHE 15 24.377 34.498 13.804 168 HZ PHE 15 HZ PHE 15 26.679 35.414 13.686 169 H TYR 16 H TYR 16 25.376 31.229 16.611 170 HA TYR 16 HA TYR 16 27.473 33.065 17.140 171 1HB TYR 16 1HB TYR 16 25.129 32.033 18.727 172 2HB TYR 16 2HB TYR 16 26.226 33.221 19.415 173 HD1 TYR 16 HD1 TYR 16 26.333 33.983 16.059 174 HD2 TYR 16 HD2 TYR 16 23.628 34.156 19.389 175 HE1 TYR 16 HE1 TYR 16 25.096 35.818 14.967 176 HE2 TYR 16 HE2 TYR 16 22.387 35.988 18.286 177 HH TYR 16 HH TYR 16 23.381 37.220 15.086 178 H ASP 17 H ASP 17 26.878 29.818 18.312 179 HA ASP 17 HA ASP 17 28.299 30.052 20.808 180 1HB ASP 17 1HB ASP 17 27.265 27.863 19.116 181 2HB ASP 17 2HB ASP 17 28.568 27.418 20.195 182 H MET 18 H MET 18 29.323 29.783 17.595 183 HA MET 18 HA MET 18 32.055 28.994 18.288 184 1HB MET 18 1HB MET 18 30.513 29.233 15.818 185 2HB MET 18 2HB MET 18 32.227 28.816 15.812 186 1HG MET 18 1HG MET 18 31.166 26.689 15.921 187 2HG MET 18 2HG MET 18 31.540 27.044 17.594 188 1HE MET 18 3HE MET 18 29.881 25.002 17.569 189 2HE MET 18 1HE MET 18 29.946 25.991 19.047 190 3HE MET 18 2HE MET 18 28.397 25.399 18.419 191 H LYS 19 H LYS 19 31.790 30.759 15.412 192 HA LYS 19 HA LYS 19 32.072 33.037 14.844 193 1HB LYS 19 1HB LYS 19 31.425 33.377 17.434 194 2HB LYS 19 2HB LYS 19 33.136 33.800 17.511 195 1HG LYS 19 1HG LYS 19 31.820 35.809 17.045 196 2HG LYS 19 2HG LYS 19 32.792 35.398 15.629 197 1HD LYS 19 1HD LYS 19 30.184 34.069 15.628 198 2HD LYS 19 2HD LYS 19 30.050 35.828 15.634 199 1HE LYS 19 1HE LYS 19 32.094 34.730 13.797 200 2HE LYS 19 2HE LYS 19 30.423 34.352 13.374 201 1HZ LYS 19 1HZ LYS 19 30.982 37.094 14.177 202 2HZ LYS 19 2HZ LYS 19 31.607 36.607 12.674 203 3HZ LYS 19 3HZ LYS 19 29.940 36.504 12.970 204 H VAL 20 H VAL 20 34.454 32.415 17.403 205 HA VAL 20 HA VAL 20 36.597 31.953 15.454 206 HB VAL 20 HB VAL 20 37.207 34.197 17.247 207 1HG1 VAL 20 3HG1 VAL 20 37.571 33.694 14.284 208 2HG1 VAL 20 1HG1 VAL 20 38.246 35.069 15.153 209 3HG1 VAL 20 2HG1 VAL 20 38.777 33.434 15.543 210 1HG2 VAL 20 3HG2 VAL 20 34.840 34.692 16.561 211 2HG2 VAL 20 1HG2 VAL 20 36.013 35.895 16.025 212 3HG2 VAL 20 2HG2 VAL 20 35.389 34.704 14.884 213 H ARG 21 H ARG 21 35.714 30.294 17.603 214 HA ARG 21 HA ARG 21 36.492 29.308 19.623 215 1HB ARG 21 1HB ARG 21 38.848 30.079 18.008 216 2HB ARG 21 2HB ARG 21 39.185 29.952 19.732 217 1HG ARG 21 1HG ARG 21 37.568 27.765 18.535 218 2HG ARG 21 2HG ARG 21 39.269 27.826 18.080 219 1HD ARG 21 1HD ARG 21 39.897 27.040 20.092 220 2HD ARG 21 2HD ARG 21 38.969 28.291 20.920 221 HE ARG 21 HE ARG 21 37.087 26.781 21.011 222 1HH1 ARG 21 1HH2 ARG 21 40.016 25.265 20.967 223 2HH1 ARG 21 2HH2 ARG 21 39.446 23.736 20.388 224 1HH2 ARG 21 1HH1 ARG 21 36.270 24.919 19.631 225 2HH2 ARG 21 2HH1 ARG 21 37.316 23.539 19.627 226 H LYS 22 H LYS 22 35.653 32.193 19.432 227 HA LYS 22 HA LYS 22 37.280 33.833 21.104 228 1HB LYS 22 1HB LYS 22 34.679 33.972 19.830 229 2HB LYS 22 2HB LYS 22 34.619 34.658 21.453 230 1HG LYS 22 1HG LYS 22 36.410 36.178 20.970 231 2HG LYS 22 2HG LYS 22 36.763 35.370 19.442 232 1HD LYS 22 1HD LYS 22 35.498 37.420 19.014 233 2HD LYS 22 2HD LYS 22 34.507 36.018 18.612 234 1HE LYS 22 1HE LYS 22 33.057 37.407 19.861 235 2HE LYS 22 2HE LYS 22 33.602 36.200 21.025 236 1HZ LYS 22 3HZ LYS 22 34.913 38.836 20.665 237 2HZ LYS 22 1HZ LYS 22 33.699 38.545 21.819 238 3HZ LYS 22 2HZ LYS 22 35.174 37.713 21.914 239 H CYS 23 H CYS 23 37.597 33.744 23.253 240 HA CYS 23 HA CYS 23 35.422 32.800 24.983 241 1HB CYS 23 1HB CYS 23 37.629 31.555 26.121 242 2HB CYS 23 2HB CYS 23 36.295 30.757 25.285 243 HG CYS 23 HG CYS 23 39.123 31.173 24.171 244 H SER 24 H SER 24 35.260 34.725 26.162 245 HA SER 24 HA SER 24 37.088 36.662 26.855 246 1HB SER 24 1HB SER 24 34.646 35.943 27.865 247 2HB SER 24 2HB SER 24 35.699 35.506 29.221 248 HG SER 24 HG SER 24 34.789 37.841 28.792 249 H THR 25 H THR 25 36.440 33.842 28.586 250 HA THR 25 HA THR 25 39.232 33.145 29.024 251 HB THR 25 HB THR 25 38.177 34.582 31.025 252 HG1 THR 25 HG1 THR 25 39.325 33.021 32.461 253 1HG2 THR 25 1HG2 THR 25 36.166 33.203 31.116 254 2HG2 THR 25 2HG2 THR 25 37.175 31.785 31.469 255 3HG2 THR 25 3HG2 THR 25 37.071 33.106 32.638 256 HA PRO 26 HA PRO 26 36.632 29.937 27.401 257 1HB PRO 26 1HB PRO 26 38.694 28.068 27.157 258 2HB PRO 26 2HB PRO 26 38.341 29.345 25.978 259 1HG PRO 26 1HG PRO 26 40.487 29.252 28.078 260 2HG PRO 26 2HG PRO 26 40.521 30.003 26.470 261 1HD PRO 26 1HD PRO 26 40.128 31.438 28.831 262 2HD PRO 26 2HD PRO 26 39.553 31.975 27.236 263 H GLU 27 H GLU 27 38.211 30.032 30.385 264 HA GLU 27 HA GLU 27 37.849 27.460 31.470 265 1HB GLU 27 1HB GLU 27 37.669 30.252 32.578 266 2HB GLU 27 2HB GLU 27 37.199 28.888 33.594 267 1HG GLU 27 1HG GLU 27 39.886 29.310 32.254 268 2HG GLU 27 2HG GLU 27 39.551 29.355 33.985 269 H GLU 28 H GLU 28 35.529 29.670 30.151 270 HA GLU 28 HA GLU 28 33.355 28.007 31.153 271 1HB GLU 28 1HB GLU 28 32.427 30.643 30.615 272 2HB GLU 28 2HB GLU 28 32.466 29.838 32.181 273 1HG GLU 28 1HG GLU 28 34.949 30.541 32.270 274 2HG GLU 28 2HG GLU 28 34.565 31.633 30.933 275 H ILE 29 H ILE 29 34.665 30.212 28.717 276 HA ILE 29 HA ILE 29 32.745 29.018 26.907 277 HB ILE 29 HB ILE 29 32.966 30.912 25.419 278 1HG1 ILE 29 1HG1 ILE 29 35.256 31.533 26.568 279 2HG1 ILE 29 2HG1 ILE 29 34.147 32.820 26.116 280 1HG2 ILE 29 1HG2 ILE 29 32.026 30.391 28.092 281 2HG2 ILE 29 2HG2 ILE 29 32.051 32.147 27.779 282 3HG2 ILE 29 3HG2 ILE 29 31.121 31.073 26.727 283 1HD1 ILE 29 1HD1 ILE 29 33.686 31.711 28.797 284 2HD1 ILE 29 2HD1 ILE 29 35.230 32.512 28.580 285 3HD1 ILE 29 3HD1 ILE 29 33.748 33.388 28.261 286 H LYS 30 H LYS 30 33.960 27.563 27.441 287 HA LYS 30 HA LYS 30 35.259 26.385 25.177 288 1HB LYS 30 1HB LYS 30 37.408 26.319 25.923 289 2HB LYS 30 2HB LYS 30 36.912 27.545 27.081 290 1HG LYS 30 1HG LYS 30 36.242 25.740 28.661 291 2HG LYS 30 2HG LYS 30 36.897 24.556 27.529 292 1HD LYS 30 1HD LYS 30 39.114 25.433 27.748 293 2HD LYS 30 2HD LYS 30 38.536 26.859 28.606 294 1HE LYS 30 1HE LYS 30 38.904 25.755 30.530 295 2HE LYS 30 2HE LYS 30 37.585 24.672 30.088 296 1HZ LYS 30 1HZ LYS 30 40.343 24.291 29.088 297 2HZ LYS 30 2HZ LYS 30 39.808 23.608 30.549 298 3HZ LYS 30 3HZ LYS 30 39.062 23.175 29.089 299 H LYS 31 H LYS 31 34.011 26.413 28.448 300 HA LYS 31 HA LYS 31 33.196 23.544 28.094 301 1HB LYS 31 1HB LYS 31 33.637 25.025 30.711 302 2HB LYS 31 2HB LYS 31 33.193 23.329 30.530 303 1HG LYS 31 1HG LYS 31 35.518 23.768 28.949 304 2HG LYS 31 2HG LYS 31 35.808 24.485 30.534 305 1HD LYS 31 1HD LYS 31 35.819 22.470 31.583 306 2HD LYS 31 2HD LYS 31 34.475 21.860 30.619 307 1HE LYS 31 1HE LYS 31 36.092 21.647 28.680 308 2HE LYS 31 2HE LYS 31 37.390 22.000 29.820 309 1HZ LYS 31 1HZ LYS 31 36.681 20.104 31.148 310 2HZ LYS 31 2HZ LYS 31 35.456 19.755 30.025 311 3HZ LYS 31 3HZ LYS 31 37.084 19.626 29.569 312 H ARG 32 H ARG 32 32.032 26.459 27.565 313 HA ARG 32 HA ARG 32 29.597 26.288 29.254 314 1HB ARG 32 1HB ARG 32 30.890 28.385 27.772 315 2HB ARG 32 2HB ARG 32 29.227 28.229 27.254 316 1HG ARG 32 1HG ARG 32 28.827 29.569 29.070 317 2HG ARG 32 2HG ARG 32 28.844 28.021 29.910 318 1HD ARG 32 1HD ARG 32 31.213 28.328 30.483 319 2HD ARG 32 2HD ARG 32 31.244 29.837 29.581 320 HE ARG 32 HE ARG 32 29.879 30.857 31.301 321 1HH1 ARG 32 1HH2 ARG 32 29.968 27.469 31.707 322 2HH1 ARG 32 2HH2 ARG 32 29.896 27.524 33.436 323 1HH2 ARG 32 1HH1 ARG 32 30.101 30.979 33.604 324 2HH2 ARG 32 2HH1 ARG 32 29.972 29.507 34.508 325 H LYS 33 H LYS 33 30.514 24.637 26.715 326 HA LYS 33 HA LYS 33 29.354 23.390 25.088 327 1HB LYS 33 1HB LYS 33 27.661 22.925 26.774 328 2HB LYS 33 2HB LYS 33 26.962 24.530 26.581 329 1HG LYS 33 1HG LYS 33 27.175 23.015 24.068 330 2HG LYS 33 2HG LYS 33 26.093 22.293 25.260 331 1HD LYS 33 1HD LYS 33 25.482 24.996 25.392 332 2HD LYS 33 2HD LYS 33 25.733 24.712 23.668 333 1HE LYS 33 1HE LYS 33 23.484 24.139 23.897 334 2HE LYS 33 2HE LYS 33 24.264 22.571 24.105 335 1HZ LYS 33 1HZ LYS 33 24.236 23.802 26.591 336 2HZ LYS 33 2HZ LYS 33 22.681 24.008 25.940 337 3HZ LYS 33 3HZ LYS 33 23.340 22.449 26.097 338 H LYS 34 H LYS 34 29.414 24.043 23.058 339 HA LYS 34 HA LYS 34 27.824 26.340 22.188 340 1HB LYS 34 1HB LYS 34 30.655 26.310 21.248 341 2HB LYS 34 2HB LYS 34 29.605 27.686 21.580 342 1HG LYS 34 1HG LYS 34 29.812 27.269 24.004 343 2HG LYS 34 2HG LYS 34 30.904 25.923 23.672 344 1HD LYS 34 1HD LYS 34 32.629 27.365 23.580 345 2HD LYS 34 2HD LYS 34 31.864 28.173 22.214 346 1HE LYS 34 1HE LYS 34 31.323 28.768 25.140 347 2HE LYS 34 2HE LYS 34 32.282 29.767 24.049 348 1HZ LYS 34 1HZ LYS 34 29.783 29.201 22.874 349 2HZ LYS 34 2HZ LYS 34 29.537 29.836 24.431 350 3HZ LYS 34 3HZ LYS 34 30.446 30.708 23.294 351 H ALA 35 H ALA 35 30.296 23.944 21.234 352 HA ALA 35 HA ALA 35 29.498 23.504 18.577 353 1HB ALA 35 3HB ALA 35 30.518 21.539 20.658 354 2HB ALA 35 1HB ALA 35 30.408 21.207 18.929 355 3HB ALA 35 2HB ALA 35 31.516 22.446 19.525 356 H VAL 36 H VAL 36 27.931 22.073 17.857 357 HA VAL 36 HA VAL 36 26.142 20.758 19.772 358 HB VAL 36 HB VAL 36 24.289 22.319 18.836 359 1HG1 VAL 36 3HG1 VAL 36 25.423 22.043 21.249 360 2HG1 VAL 36 1HG1 VAL 36 25.858 23.717 20.904 361 3HG1 VAL 36 2HG1 VAL 36 24.158 23.221 20.905 362 1HG2 VAL 36 1HG2 VAL 36 26.815 23.916 18.545 363 2HG2 VAL 36 2HG2 VAL 36 25.546 23.650 17.350 364 3HG2 VAL 36 3HG2 VAL 36 25.243 24.675 18.756 365 H ILE 37 H ILE 37 24.311 19.788 18.893 366 HA ILE 37 HA ILE 37 24.125 19.662 15.958 367 HB ILE 37 HB ILE 37 24.031 17.490 18.028 368 1HG1 ILE 37 1HG1 ILE 37 25.208 16.942 15.439 369 2HG1 ILE 37 2HG1 ILE 37 25.989 18.287 16.263 370 1HG2 ILE 37 3HG2 ILE 37 22.839 17.533 15.273 371 2HG2 ILE 37 1HG2 ILE 37 23.067 16.075 16.250 372 3HG2 ILE 37 2HG2 ILE 37 21.984 17.352 16.812 373 1HD1 ILE 37 2HD1 ILE 37 26.091 16.854 18.341 374 2HD1 ILE 37 3HD1 ILE 37 25.565 15.484 17.360 375 3HD1 ILE 37 1HD1 ILE 37 27.106 16.276 17.019 376 H PHE 38 H PHE 38 21.769 19.047 15.428 377 HA PHE 38 HA PHE 38 19.883 19.533 17.631 378 1HB PHE 38 1HB PHE 38 19.010 21.105 15.362 379 2HB PHE 38 2HB PHE 38 19.233 21.611 17.028 380 HD1 PHE 38 HD2 PHE 38 21.867 22.018 17.786 381 HD2 PHE 38 HD1 PHE 38 20.306 22.015 13.776 382 HE1 PHE 38 HE2 PHE 38 23.781 23.300 17.017 383 HE2 PHE 38 HE1 PHE 38 22.238 23.373 13.031 384 HZ PHE 38 HZ PHE 38 23.980 24.012 14.666 385 H CYS 39 H CYS 39 17.512 19.654 16.164 386 HA CYS 39 HA CYS 39 17.573 17.795 13.941 387 1HB CYS 39 1HB CYS 39 16.095 16.157 15.585 388 2HB CYS 39 2HB CYS 39 17.780 15.887 15.136 389 HG CYS 39 HG CYS 39 17.722 17.710 17.521 390 H LEU 40 H LEU 40 15.288 17.975 16.621 391 HA LEU 40 HA LEU 40 13.475 19.773 15.317 392 1HB LEU 40 1HB LEU 40 12.931 16.830 15.050 393 2HB LEU 40 2HB LEU 40 11.618 18.006 15.031 394 HG LEU 40 HG LEU 40 13.927 17.764 13.114 395 1HD1 LEU 40 1HD1 LEU 40 11.802 16.462 12.752 396 2HD1 LEU 40 2HD1 LEU 40 10.969 18.007 12.577 397 3HD1 LEU 40 3HD1 LEU 40 12.240 17.555 11.438 398 1HD2 LEU 40 1HD2 LEU 40 11.994 20.077 13.483 399 2HD2 LEU 40 2HD2 LEU 40 13.742 20.147 13.683 400 3HD2 LEU 40 3HD2 LEU 40 13.047 19.885 12.078 401 H SER 41 H SER 41 12.339 20.738 16.814 402 HA SER 41 HA SER 41 12.458 20.328 19.518 403 1HB SER 41 1HB SER 41 10.092 21.349 17.956 404 2HB SER 41 2HB SER 41 10.283 21.530 19.696 405 HG SER 41 HG SER 41 11.101 23.360 18.774 406 H ALA 42 H ALA 42 10.496 19.714 20.991 407 HA ALA 42 HA ALA 42 9.944 16.907 20.587 408 1HB ALA 42 2HB ALA 42 9.817 18.605 22.757 409 2HB ALA 42 3HB ALA 42 8.110 18.388 22.370 410 3HB ALA 42 1HB ALA 42 9.120 16.986 22.720 411 H ASP 43 H ASP 43 8.114 15.995 19.625 412 HA ASP 43 HA ASP 43 5.982 15.939 18.584 413 1HB ASP 43 1HB ASP 43 5.803 18.943 18.758 414 2HB ASP 43 2HB ASP 43 4.498 17.756 18.718 415 H LYS 44 H LYS 44 8.739 17.670 17.749 416 HA LYS 44 HA LYS 44 9.793 17.830 15.694 417 1HB LYS 44 1HB LYS 44 7.459 16.310 15.022 418 2HB LYS 44 2HB LYS 44 7.748 17.516 13.765 419 1HG LYS 44 1HG LYS 44 9.031 15.537 13.217 420 2HG LYS 44 2HG LYS 44 10.154 16.783 13.749 421 1HD LYS 44 1HD LYS 44 10.941 15.244 15.210 422 2HD LYS 44 2HD LYS 44 9.453 15.526 16.117 423 1HE LYS 44 1HE LYS 44 8.334 13.749 14.777 424 2HE LYS 44 2HE LYS 44 9.866 13.427 13.969 425 1HZ LYS 44 1HZ LYS 44 10.401 13.412 16.680 426 2HZ LYS 44 2HZ LYS 44 8.964 12.529 16.496 427 3HZ LYS 44 3HZ LYS 44 10.356 12.075 15.633 428 H LYS 45 H LYS 45 10.378 19.661 14.899 429 HA LYS 45 HA LYS 45 9.388 21.599 13.458 430 1HB LYS 45 1HB LYS 45 7.997 21.607 16.069 431 2HB LYS 45 2HB LYS 45 8.468 23.180 15.354 432 1HG LYS 45 1HG LYS 45 7.098 22.898 13.498 433 2HG LYS 45 2HG LYS 45 7.173 21.136 13.597 434 1HD LYS 45 1HD LYS 45 5.930 21.789 15.965 435 2HD LYS 45 2HD LYS 45 5.278 23.004 14.863 436 1HE LYS 45 1HE LYS 45 4.832 21.069 13.239 437 2HE LYS 45 2HE LYS 45 5.150 19.995 14.602 438 1HZ LYS 45 3HZ LYS 45 3.403 22.022 15.438 439 2HZ LYS 45 1HZ LYS 45 2.792 21.360 13.997 440 3HZ LYS 45 2HZ LYS 45 3.108 20.356 15.331 441 H CYS 46 H CYS 46 11.009 22.964 13.315 442 HA CYS 46 HA CYS 46 12.665 24.517 13.902 443 1HB CYS 46 1HB CYS 46 12.221 23.488 16.744 444 2HB CYS 46 2HB CYS 46 13.389 24.736 16.294 445 HG CYS 46 HG CYS 46 11.513 26.381 15.868 446 H ILE 47 H ILE 47 14.870 24.230 13.863 447 HA ILE 47 HA ILE 47 16.023 21.743 13.427 448 HB ILE 47 HB ILE 47 16.887 24.323 13.348 449 1HG1 ILE 47 1HG1 ILE 47 19.231 23.225 13.077 450 2HG1 ILE 47 2HG1 ILE 47 18.360 21.706 13.307 451 1HG2 ILE 47 2HG2 ILE 47 18.112 23.101 15.816 452 2HG2 ILE 47 3HG2 ILE 47 18.901 24.377 14.903 453 3HG2 ILE 47 1HG2 ILE 47 17.320 24.673 15.637 454 1HD1 ILE 47 2HD1 ILE 47 17.190 23.692 11.419 455 2HD1 ILE 47 3HD1 ILE 47 18.650 22.818 10.906 456 3HD1 ILE 47 1HD1 ILE 47 17.206 21.924 11.354 457 H ILE 48 H ILE 48 16.309 23.546 16.489 458 HA ILE 48 HA ILE 48 16.170 22.916 18.696 459 HB ILE 48 HB ILE 48 14.344 21.371 17.399 460 1HG1 ILE 48 1HG1 ILE 48 14.893 22.440 19.954 461 2HG1 ILE 48 2HG1 ILE 48 13.349 21.789 19.400 462 1HG2 ILE 48 2HG2 ILE 48 15.992 19.499 17.334 463 2HG2 ILE 48 3HG2 ILE 48 16.146 19.579 19.081 464 3HG2 ILE 48 1HG2 ILE 48 14.627 19.112 18.361 465 1HD1 ILE 48 2HD1 ILE 48 15.624 20.129 20.508 466 2HD1 ILE 48 3HD1 ILE 48 14.212 20.624 21.450 467 3HD1 ILE 48 1HD1 ILE 48 14.025 19.538 20.067 468 H VAL 49 H VAL 49 17.154 21.855 20.242 469 HA VAL 49 HA VAL 49 19.360 19.967 19.520 470 HB VAL 49 HB VAL 49 18.866 21.481 22.132 471 1HG1 VAL 49 3HG1 VAL 49 20.716 19.359 21.296 472 2HG1 VAL 49 1HG1 VAL 49 21.531 20.753 22.005 473 3HG1 VAL 49 2HG1 VAL 49 20.288 19.899 22.919 474 1HG2 VAL 49 1HG2 VAL 49 20.768 22.029 19.832 475 2HG2 VAL 49 2HG2 VAL 49 19.452 23.067 20.379 476 3HG2 VAL 49 3HG2 VAL 49 20.867 22.820 21.405 477 H GLU 50 H GLU 50 18.397 17.845 19.693 478 HA GLU 50 HA GLU 50 16.446 17.530 21.961 479 1HB GLU 50 1HB GLU 50 15.942 17.321 19.192 480 2HB GLU 50 2HB GLU 50 15.840 15.694 19.862 481 1HG GLU 50 1HG GLU 50 14.555 17.777 21.507 482 2HG GLU 50 2HG GLU 50 13.798 17.508 19.935 483 H GLU 51 H GLU 51 18.674 16.794 22.847 484 HA GLU 51 HA GLU 51 18.545 14.124 23.533 485 1HB GLU 51 1HB GLU 51 19.383 12.928 21.782 486 2HB GLU 51 2HB GLU 51 19.110 14.398 20.848 487 1HG GLU 51 1HG GLU 51 21.360 13.928 20.452 488 2HG GLU 51 2HG GLU 51 21.386 15.183 21.688 489 H GLY 52 H GLY 52 20.390 16.861 22.890 490 1HA GLY 52 1HA GLY 52 21.786 17.629 24.939 491 2HA GLY 52 2HA GLY 52 22.636 16.086 24.678 492 H LYS 53 H LYS 53 23.230 15.682 22.366 493 HA LYS 53 HA LYS 53 24.638 16.325 20.592 494 1HB LYS 53 1HB LYS 53 22.171 18.029 20.580 495 2HB LYS 53 2HB LYS 53 23.373 18.234 19.320 496 1HG LYS 53 1HG LYS 53 21.714 15.796 19.964 497 2HG LYS 53 2HG LYS 53 21.853 16.640 18.433 498 1HD LYS 53 1HD LYS 53 23.265 14.882 17.949 499 2HD LYS 53 2HD LYS 53 24.423 15.922 18.770 500 1HE LYS 53 1HE LYS 53 23.265 14.636 20.881 501 2HE LYS 53 2HE LYS 53 23.298 13.368 19.657 502 1HZ LYS 53 3HZ LYS 53 25.668 14.429 19.334 503 2HZ LYS 53 1HZ LYS 53 25.472 14.741 20.986 504 3HZ LYS 53 2HZ LYS 53 25.377 13.147 20.411 505 H GLU 54 H GLU 54 26.592 17.173 21.350 506 HA GLU 54 HA GLU 54 27.154 19.851 20.810 507 1HB GLU 54 1HB GLU 54 26.345 21.104 22.473 508 2HB GLU 54 2HB GLU 54 25.581 19.673 23.157 509 1HG GLU 54 1HG GLU 54 28.515 20.277 23.716 510 2HG GLU 54 2HG GLU 54 27.229 21.015 24.653 511 H ILE 55 H ILE 55 29.207 20.292 20.926 512 HA ILE 55 HA ILE 55 31.022 18.548 22.497 513 HB ILE 55 HB ILE 55 31.074 19.598 19.849 514 1HG1 ILE 55 1HG1 ILE 55 33.112 18.113 21.501 515 2HG1 ILE 55 2HG1 ILE 55 31.828 17.385 20.503 516 1HG2 ILE 55 2HG2 ILE 55 32.288 21.508 21.122 517 2HG2 ILE 55 3HG2 ILE 55 33.541 20.293 21.396 518 3HG2 ILE 55 1HG2 ILE 55 33.085 20.736 19.763 519 1HD1 ILE 55 2HD1 ILE 55 32.882 19.257 18.851 520 2HD1 ILE 55 3HD1 ILE 55 34.316 18.669 19.683 521 3HD1 ILE 55 1HD1 ILE 55 33.293 17.551 18.791 522 H LEU 56 H LEU 56 32.963 20.342 23.156 523 HA LEU 56 HA LEU 56 31.406 22.572 24.387 524 1HB LEU 56 1HB LEU 56 33.932 21.210 25.352 525 2HB LEU 56 2HB LEU 56 33.167 22.588 26.143 526 HG LEU 56 HG LEU 56 32.448 20.543 27.247 527 1HD1 LEU 56 1HD1 LEU 56 30.823 22.427 26.856 528 2HD1 LEU 56 2HD1 LEU 56 30.223 21.544 25.451 529 3HD1 LEU 56 3HD1 LEU 56 30.057 20.850 27.065 530 1HD2 LEU 56 3HD2 LEU 56 32.717 19.401 24.763 531 2HD2 LEU 56 1HD2 LEU 56 31.903 18.632 26.131 532 3HD2 LEU 56 2HD2 LEU 56 30.962 19.506 24.920 533 H VAL 57 H VAL 57 33.814 21.973 22.080 534 HA VAL 57 HA VAL 57 35.116 23.422 20.846 535 HB VAL 57 HB VAL 57 34.586 25.581 20.756 536 1HG1 VAL 57 2HG1 VAL 57 32.423 24.123 21.616 537 2HG1 VAL 57 3HG1 VAL 57 32.372 25.567 22.624 538 3HG1 VAL 57 1HG1 VAL 57 32.360 25.717 20.864 539 1HG2 VAL 57 1HG2 VAL 57 35.797 25.964 23.060 540 2HG2 VAL 57 2HG2 VAL 57 34.705 27.191 22.444 541 3HG2 VAL 57 3HG2 VAL 57 34.155 26.083 23.698 542 H GLY 58 H GLY 58 35.221 24.145 24.341 543 1HA GLY 58 1HA GLY 58 38.130 24.362 24.262 544 2HA GLY 58 2HA GLY 58 37.119 24.460 25.710 545 H ASP 59 H ASP 59 35.604 22.013 25.074 546 HA ASP 59 HA ASP 59 37.044 20.042 26.449 547 1HB ASP 59 1HB ASP 59 34.860 19.910 24.380 548 2HB ASP 59 2HB ASP 59 35.727 18.419 24.767 549 H VAL 60 H VAL 60 36.742 20.466 22.952 550 HA VAL 60 HA VAL 60 38.352 18.691 21.758 551 HB VAL 60 HB VAL 60 38.604 21.700 21.429 552 1HG1 VAL 60 2HG1 VAL 60 40.334 19.928 20.392 553 2HG1 VAL 60 3HG1 VAL 60 39.046 19.778 19.196 554 3HG1 VAL 60 1HG1 VAL 60 39.796 21.348 19.493 555 1HG2 VAL 60 1HG2 VAL 60 36.319 20.418 21.179 556 2HG2 VAL 60 2HG2 VAL 60 36.804 21.591 19.958 557 3HG2 VAL 60 3HG2 VAL 60 37.015 19.866 19.657 558 H GLY 61 H GLY 61 39.885 17.743 23.107 559 1HA GLY 61 1HA GLY 61 42.464 17.943 23.077 560 2HA GLY 61 2HA GLY 61 42.185 19.426 23.993 561 H VAL 62 H VAL 62 39.753 17.544 24.924 562 HA VAL 62 HA VAL 62 41.225 16.364 27.239 563 HB VAL 62 HB VAL 62 38.400 17.416 26.885 564 1HG1 VAL 62 1HG1 VAL 62 39.373 15.260 28.591 565 2HG1 VAL 62 2HG1 VAL 62 38.636 16.568 29.518 566 3HG1 VAL 62 3HG1 VAL 62 37.720 15.758 28.244 567 1HG2 VAL 62 2HG2 VAL 62 40.308 18.954 27.530 568 2HG2 VAL 62 3HG2 VAL 62 38.978 18.901 28.686 569 3HG2 VAL 62 1HG2 VAL 62 40.467 18.015 29.014 570 H THR 63 H THR 63 37.926 15.632 26.328 571 HA THR 63 HA THR 63 38.615 12.830 25.896 572 HB THR 63 HB THR 63 36.038 14.376 25.476 573 HG1 THR 63 HG1 THR 63 35.786 12.643 27.380 574 1HG2 THR 63 2HG2 THR 63 36.601 11.407 25.442 575 2HG2 THR 63 3HG2 THR 63 35.000 12.140 25.345 576 3HG2 THR 63 1HG2 THR 63 36.168 12.396 24.048 577 H ILE 64 H ILE 64 38.642 15.759 24.186 578 HA ILE 64 HA ILE 64 38.614 14.303 21.581 579 HB ILE 64 HB ILE 64 38.165 16.959 20.960 580 1HG1 ILE 64 1HG1 ILE 64 36.810 16.249 23.577 581 2HG1 ILE 64 2HG1 ILE 64 37.671 17.733 23.162 582 1HG2 ILE 64 1HG2 ILE 64 37.057 14.621 20.361 583 2HG2 ILE 64 2HG2 ILE 64 35.854 15.145 21.549 584 3HG2 ILE 64 3HG2 ILE 64 36.171 16.127 20.111 585 1HD1 ILE 64 3HD1 ILE 64 35.870 18.013 21.320 586 2HD1 ILE 64 1HD1 ILE 64 34.958 16.802 22.220 587 3HD1 ILE 64 2HD1 ILE 64 35.384 18.334 22.982 588 H THR 65 H THR 65 39.822 16.150 19.943 589 HA THR 65 HA THR 65 42.188 17.264 21.270 590 HB THR 65 HB THR 65 43.464 15.651 19.435 591 HG1 THR 65 HG1 THR 65 42.617 13.562 19.963 592 1HG2 THR 65 3HG2 THR 65 43.937 16.239 21.912 593 2HG2 THR 65 1HG2 THR 65 43.008 14.788 22.287 594 3HG2 THR 65 2HG2 THR 65 44.480 14.668 21.322 595 H ASP 66 H ASP 66 40.039 18.128 19.331 596 HA ASP 66 HA ASP 66 40.273 19.975 17.841 597 1HB ASP 66 1HB ASP 66 42.828 19.648 18.376 598 2HB ASP 66 2HB ASP 66 42.843 19.020 16.722 599 HA PRO 67 HA PRO 67 40.181 17.068 14.066 600 1HB PRO 67 1HB PRO 67 39.239 14.542 14.625 601 2HB PRO 67 2HB PRO 67 40.956 14.943 14.569 602 1HG PRO 67 1HG PRO 67 39.222 14.500 16.958 603 2HG PRO 67 2HG PRO 67 40.953 14.186 16.751 604 1HD PRO 67 1HD PRO 67 39.856 16.412 18.079 605 2HD PRO 67 2HD PRO 67 41.522 16.269 17.476 606 H PHE 68 H PHE 68 37.693 14.982 14.789 607 HA PHE 68 HA PHE 68 35.611 16.879 15.504 608 1HB PHE 68 1HB PHE 68 34.672 17.326 13.431 609 2HB PHE 68 2HB PHE 68 36.376 17.223 12.964 610 HD1 PHE 68 HD1 PHE 68 37.308 14.935 12.359 611 HD2 PHE 68 HD2 PHE 68 33.118 15.799 12.528 612 HE1 PHE 68 HE1 PHE 68 36.846 12.907 11.047 613 HE2 PHE 68 HE2 PHE 68 32.656 13.761 11.217 614 HZ PHE 68 HZ PHE 68 34.508 12.309 10.463 615 H LYS 69 H LYS 69 36.563 13.766 14.130 616 HA LYS 69 HA LYS 69 34.199 12.339 14.021 617 1HB LYS 69 1HB LYS 69 35.528 10.532 13.816 618 2HB LYS 69 2HB LYS 69 36.839 11.703 13.843 619 1HG LYS 69 1HG LYS 69 35.994 10.959 16.530 620 2HG LYS 69 2HG LYS 69 36.501 9.574 15.587 621 1HD LYS 69 1HD LYS 69 38.476 10.417 16.629 622 2HD LYS 69 2HD LYS 69 38.558 10.921 14.941 623 1HE LYS 69 1HE LYS 69 39.075 12.906 16.017 624 2HE LYS 69 2HE LYS 69 37.331 13.072 15.844 625 1HZ LYS 69 3HZ LYS 69 38.694 11.972 18.243 626 2HZ LYS 69 1HZ LYS 69 38.124 13.566 18.106 627 3HZ LYS 69 2HZ LYS 69 37.033 12.265 18.075 628 H HIS 70 H HIS 70 35.929 13.279 16.979 629 HA HIS 70 HA HIS 70 34.453 11.714 18.801 630 1HB HIS 70 1HB HIS 70 35.866 12.968 20.048 631 2HB HIS 70 2HB HIS 70 35.793 14.335 18.925 632 HD1 HIS 70 HD1 HIS 70 33.688 12.645 21.589 633 HD2 HIS 70 HD2 HIS 70 33.940 16.289 19.621 634 HE1 HIS 70 HE1 HIS 70 32.006 14.184 22.659 635 H PHE 71 H PHE 71 33.715 14.993 17.626 636 HA PHE 71 HA PHE 71 31.185 15.217 18.797 637 1HB PHE 71 1HB PHE 71 31.866 17.278 17.971 638 2HB PHE 71 2HB PHE 71 32.682 16.548 16.592 639 HD1 PHE 71 HD1 PHE 71 31.220 15.665 14.657 640 HD2 PHE 71 HD2 PHE 71 29.756 18.267 17.748 641 HE1 PHE 71 HE1 PHE 71 29.322 16.332 13.206 642 HE2 PHE 71 HE2 PHE 71 27.863 18.925 16.303 643 HZ PHE 71 HZ PHE 71 27.642 17.960 14.028 644 H VAL 72 H VAL 72 32.197 13.439 15.931 645 HA VAL 72 HA VAL 72 29.573 13.156 14.794 646 HB VAL 72 HB VAL 72 30.501 11.600 13.366 647 1HG1 VAL 72 1HG1 VAL 72 32.685 13.427 14.247 648 2HG1 VAL 72 2HG1 VAL 72 32.795 12.404 12.817 649 3HG1 VAL 72 3HG1 VAL 72 31.551 13.648 12.918 650 1HG2 VAL 72 2HG2 VAL 72 31.835 10.563 15.647 651 2HG2 VAL 72 3HG2 VAL 72 31.603 9.807 14.079 652 3HG2 VAL 72 1HG2 VAL 72 33.010 10.828 14.370 653 H GLY 73 H GLY 73 31.424 11.514 17.192 654 1HA GLY 73 1HA GLY 73 29.798 9.231 17.645 655 2HA GLY 73 2HA GLY 73 30.737 10.041 18.912 656 H MET 74 H MET 74 29.569 12.616 18.612 657 HA MET 74 HA MET 74 27.195 12.391 20.236 658 1HB MET 74 1HB MET 74 28.103 14.763 18.595 659 2HB MET 74 2HB MET 74 27.178 14.791 20.093 660 1HG MET 74 1HG MET 74 29.182 13.583 21.162 661 2HG MET 74 2HG MET 74 30.080 14.080 19.729 662 1HE MET 74 3HE MET 74 29.269 16.165 18.705 663 2HE MET 74 1HE MET 74 29.223 17.741 19.502 664 3HE MET 74 2HE MET 74 30.767 16.892 19.305 665 H LEU 75 H LEU 75 27.881 12.792 16.818 666 HA LEU 75 HA LEU 75 25.082 12.983 16.003 667 1HB LEU 75 1HB LEU 75 27.366 11.993 14.281 668 2HB LEU 75 2HB LEU 75 25.921 12.843 13.777 669 HG LEU 75 HG LEU 75 28.066 14.086 15.497 670 1HD1 LEU 75 2HD1 LEU 75 28.139 13.410 12.749 671 2HD1 LEU 75 3HD1 LEU 75 27.784 15.137 12.808 672 3HD1 LEU 75 1HD1 LEU 75 29.230 14.505 13.597 673 1HD2 LEU 75 1HD2 LEU 75 25.593 14.908 15.436 674 2HD2 LEU 75 2HD2 LEU 75 26.875 16.087 15.184 675 3HD2 LEU 75 3HD2 LEU 75 25.984 15.452 13.805 676 HA PRO 76 HA PRO 76 24.879 8.491 16.522 677 1HB PRO 76 1HB PRO 76 22.150 8.374 16.780 678 2HB PRO 76 2HB PRO 76 23.232 8.778 18.123 679 1HG PRO 76 1HG PRO 76 21.404 10.554 16.613 680 2HG PRO 76 2HG PRO 76 22.118 10.787 18.217 681 1HD PRO 76 1HD PRO 76 22.967 11.955 15.734 682 2HD PRO 76 2HD PRO 76 23.728 12.141 17.324 683 H GLU 77 H GLU 77 22.551 7.213 15.368 684 HA GLU 77 HA GLU 77 22.816 8.043 12.514 685 1HB GLU 77 1HB GLU 77 22.305 5.242 13.440 686 2HB GLU 77 2HB GLU 77 22.944 5.770 11.879 687 1HG GLU 77 1HG GLU 77 25.038 6.427 12.876 688 2HG GLU 77 2HG GLU 77 24.392 6.188 14.502 689 H LYS 78 H LYS 78 20.867 7.914 15.042 690 HA LYS 78 HA LYS 78 18.422 7.284 13.464 691 1HB LYS 78 1HB LYS 78 17.519 7.040 15.948 692 2HB LYS 78 2HB LYS 78 18.396 5.716 15.170 693 1HG LYS 78 1HG LYS 78 19.340 6.139 17.394 694 2HG LYS 78 2HG LYS 78 20.504 6.561 16.143 695 1HD LYS 78 1HD LYS 78 20.373 8.831 16.574 696 2HD LYS 78 2HD LYS 78 18.684 8.731 17.084 697 1HE LYS 78 1HE LYS 78 19.654 7.339 19.088 698 2HE LYS 78 2HE LYS 78 21.171 8.128 18.657 699 1HZ LYS 78 3HZ LYS 78 19.173 10.067 18.632 700 2HZ LYS 78 1HZ LYS 78 18.991 9.187 20.074 701 3HZ LYS 78 2HZ LYS 78 20.475 9.924 19.716 702 H ASP 79 H ASP 79 20.013 9.995 14.405 703 HA ASP 79 HA ASP 79 17.733 11.659 14.211 704 1HB ASP 79 1HB ASP 79 17.748 10.314 16.686 705 2HB ASP 79 2HB ASP 79 18.256 11.969 17.050 706 H CYS 80 H CYS 80 18.421 13.582 13.800 707 HA CYS 80 HA CYS 80 19.563 15.632 14.621 708 1HB CYS 80 1HB CYS 80 21.816 13.668 15.049 709 2HB CYS 80 2HB CYS 80 22.057 15.406 14.978 710 HG CYS 80 HG CYS 80 21.554 15.118 17.439 711 H ARG 81 H ARG 81 20.393 17.002 13.094 712 HA ARG 81 HA ARG 81 21.841 15.838 10.814 713 1HB ARG 81 1HB ARG 81 19.132 16.091 10.591 714 2HB ARG 81 2HB ARG 81 19.695 17.632 9.937 715 1HG ARG 81 1HG ARG 81 21.454 15.898 8.774 716 2HG ARG 81 2HG ARG 81 20.005 14.898 8.859 717 1HD ARG 81 1HD ARG 81 19.071 17.386 7.999 718 2HD ARG 81 2HD ARG 81 20.581 17.156 7.119 719 HE ARG 81 HE ARG 81 18.471 15.040 7.116 720 1HH1 ARG 81 1HH2 ARG 81 20.163 13.820 5.507 721 2HH1 ARG 81 2HH2 ARG 81 20.181 14.614 3.967 722 1HH2 ARG 81 1HH1 ARG 81 18.730 17.533 5.166 723 2HH2 ARG 81 2HH1 ARG 81 19.370 16.723 3.775 724 H TYR 82 H TYR 82 20.667 18.831 12.457 725 HA TYR 82 HA TYR 82 22.835 20.181 10.935 726 1HB TYR 82 1HB TYR 82 20.304 21.203 12.192 727 2HB TYR 82 2HB TYR 82 21.556 22.273 11.548 728 HD1 TYR 82 HD2 TYR 82 22.654 20.985 9.314 729 HD2 TYR 82 HD1 TYR 82 18.575 20.935 10.592 730 HE1 TYR 82 HE2 TYR 82 21.959 20.337 7.036 731 HE2 TYR 82 HE1 TYR 82 17.870 20.345 8.300 732 HH TYR 82 HH TYR 82 18.553 19.596 6.316 733 H ALA 83 H ALA 83 24.656 20.909 12.005 734 HA ALA 83 HA ALA 83 24.511 21.194 14.927 735 1HB ALA 83 1HB ALA 83 26.292 19.253 13.459 736 2HB ALA 83 2HB ALA 83 26.509 19.691 15.148 737 3HB ALA 83 3HB ALA 83 25.044 18.858 14.630 738 H LEU 84 H LEU 84 25.735 22.865 15.568 739 HA LEU 84 HA LEU 84 27.866 23.797 13.734 740 1HB LEU 84 1HB LEU 84 26.306 25.373 15.751 741 2HB LEU 84 2HB LEU 84 27.678 26.011 14.860 742 HG LEU 84 HG LEU 84 24.965 25.225 13.820 743 1HD1 LEU 84 2HD1 LEU 84 26.840 27.566 13.399 744 2HD1 LEU 84 3HD1 LEU 84 25.300 27.362 12.562 745 3HD1 LEU 84 1HD1 LEU 84 25.330 27.569 14.309 746 1HD2 LEU 84 1HD2 LEU 84 26.620 23.946 12.515 747 2HD2 LEU 84 2HD2 LEU 84 25.870 25.209 11.570 748 3HD2 LEU 84 3HD2 LEU 84 27.500 25.439 12.187 749 H TYR 85 H TYR 85 29.672 22.932 14.293 750 HA TYR 85 HA TYR 85 30.313 22.732 17.195 751 1HB TYR 85 1HB TYR 85 30.595 20.622 16.314 752 2HB TYR 85 2HB TYR 85 31.051 21.237 14.723 753 HD1 TYR 85 HD2 TYR 85 32.189 21.260 18.271 754 HD2 TYR 85 HD1 TYR 85 33.312 21.251 14.102 755 HE1 TYR 85 HE2 TYR 85 34.601 20.987 18.900 756 HE2 TYR 85 HE1 TYR 85 35.693 20.935 14.748 757 HH TYR 85 HH TYR 85 37.074 20.360 16.489 758 H ASP 86 H ASP 86 31.637 24.294 17.943 759 HA ASP 86 HA ASP 86 33.020 26.202 16.373 760 1HB ASP 86 1HB ASP 86 32.645 26.251 18.893 761 2HB ASP 86 2HB ASP 86 34.003 25.134 19.028 762 H ALA 87 H ALA 87 34.151 25.254 14.643 763 HA ALA 87 HA ALA 87 35.829 22.941 14.900 764 1HB ALA 87 3HB ALA 87 35.374 24.979 12.808 765 2HB ALA 87 1HB ALA 87 36.961 24.196 12.767 766 3HB ALA 87 2HB ALA 87 35.484 23.221 12.669 767 H SER 88 H SER 88 38.260 23.402 13.930 768 HA SER 88 HA SER 88 39.715 25.586 14.930 769 1HB SER 88 1HB SER 88 40.838 24.046 16.812 770 2HB SER 88 2HB SER 88 39.515 25.178 17.136 771 HG SER 88 HG SER 88 38.330 23.512 17.603 772 H PHE 89 H PHE 89 40.764 25.396 13.066 773 HA PHE 89 HA PHE 89 42.702 23.133 12.816 774 1HB PHE 89 1HB PHE 89 42.193 23.051 10.397 775 2HB PHE 89 2HB PHE 89 40.752 22.692 11.356 776 HD1 PHE 89 HD1 PHE 89 38.953 24.327 11.601 777 HD2 PHE 89 HD2 PHE 89 42.423 25.204 9.236 778 HE1 PHE 89 HE1 PHE 89 37.779 26.267 10.600 779 HE2 PHE 89 HE2 PHE 89 41.250 27.145 8.236 780 HZ PHE 89 HZ PHE 89 38.930 27.679 8.916 781 H GLU 90 H GLU 90 43.894 23.878 10.479 782 HA GLU 90 HA GLU 90 44.672 26.735 10.868 783 1HB GLU 90 1HB GLU 90 46.505 24.427 10.202 784 2HB GLU 90 2HB GLU 90 46.957 26.132 10.090 785 1HG GLU 90 1HG GLU 90 46.618 26.474 12.414 786 2HG GLU 90 2HG GLU 90 45.827 24.909 12.602 787 H THR 91 H THR 91 45.298 27.762 8.892 788 HA THR 91 HA THR 91 44.468 26.241 6.509 789 HB THR 91 HB THR 91 42.495 27.427 6.926 790 HG1 THR 91 HG1 THR 91 42.424 28.715 5.266 791 1HG2 THR 91 3HG2 THR 91 43.614 28.578 8.896 792 2HG2 THR 91 1HG2 THR 91 44.111 29.850 7.765 793 3HG2 THR 91 2HG2 THR 91 42.397 29.525 8.050 794 H LYS 92 H LYS 92 44.831 28.105 4.457 795 HA LYS 92 HA LYS 92 47.639 28.544 4.382 796 1HB LYS 92 1HB LYS 92 45.426 30.145 3.032 797 2HB LYS 92 2HB LYS 92 47.129 30.174 2.575 798 1HG LYS 92 1HG LYS 92 47.024 27.759 2.048 799 2HG LYS 92 2HG LYS 92 45.312 27.744 2.479 800 1HD LYS 92 1HD LYS 92 45.128 28.075 0.199 801 2HD LYS 92 2HD LYS 92 45.223 29.753 0.731 802 1HE LYS 92 1HE LYS 92 47.893 28.792 0.460 803 2HE LYS 92 2HE LYS 92 47.014 28.337 -1.000 804 1HZ LYS 92 2HZ LYS 92 46.195 30.892 -0.451 805 2HZ LYS 92 3HZ LYS 92 47.865 30.916 -0.138 806 3HZ LYS 92 1HZ LYS 92 47.296 30.424 -1.658 807 H GLU 93 H GLU 93 44.968 30.080 5.946 808 HA GLU 93 HA GLU 93 46.389 32.526 6.645 809 1HB GLU 93 1HB GLU 93 44.011 31.660 8.198 810 2HB GLU 93 2HB GLU 93 44.398 33.247 7.531 811 1HG GLU 93 1HG GLU 93 44.053 32.016 5.218 812 2HG GLU 93 2HG GLU 93 43.108 30.892 6.195 813 H SER 94 H SER 94 45.699 29.397 7.989 814 HA SER 94 HA SER 94 47.227 28.275 9.461 815 1HB SER 94 1HB SER 94 47.464 30.933 10.794 816 2HB SER 94 2HB SER 94 48.372 29.472 11.167 817 HG SER 94 HG SER 94 48.608 29.973 8.570 818 H ARG 95 H ARG 95 47.164 28.434 12.095 819 HA ARG 95 HA ARG 95 44.794 27.355 12.966 820 1HB ARG 95 1HB ARG 95 46.924 27.628 14.296 821 2HB ARG 95 2HB ARG 95 46.364 29.252 14.682 822 1HG ARG 95 1HG ARG 95 45.460 28.117 16.478 823 2HG ARG 95 2HG ARG 95 44.139 27.936 15.325 824 1HD ARG 95 1HD ARG 95 44.348 25.709 15.610 825 2HD ARG 95 2HD ARG 95 45.861 25.829 14.714 826 HE ARG 95 HE ARG 95 45.820 26.160 17.685 827 1HH1 ARG 95 1HH2 ARG 95 47.834 25.805 15.073 828 2HH1 ARG 95 2HH2 ARG 95 48.719 24.451 15.693 829 1HH2 ARG 95 1HH1 ARG 95 46.576 23.934 18.369 830 2HH2 ARG 95 2HH1 ARG 95 48.008 23.392 17.558 831 H LYS 96 H LYS 96 43.053 28.222 12.250 832 HA LYS 96 HA LYS 96 41.873 30.489 13.625 833 1HB LYS 96 1HB LYS 96 42.095 30.675 10.604 834 2HB LYS 96 2HB LYS 96 41.387 31.858 11.703 835 1HG LYS 96 1HG LYS 96 43.612 32.211 12.742 836 2HG LYS 96 2HG LYS 96 44.314 31.067 11.600 837 1HD LYS 96 1HD LYS 96 44.342 33.684 11.116 838 2HD LYS 96 2HD LYS 96 44.132 32.515 9.816 839 1HE LYS 96 1HE LYS 96 42.452 34.291 9.628 840 2HE LYS 96 2HE LYS 96 41.667 32.761 10.015 841 1HZ LYS 96 2HZ LYS 96 42.045 33.594 12.445 842 2HZ LYS 96 3HZ LYS 96 42.088 35.120 11.706 843 3HZ LYS 96 1HZ LYS 96 40.711 34.137 11.544 844 H GLU 97 H GLU 97 40.292 29.085 14.214 845 HA GLU 97 HA GLU 97 39.279 27.110 12.464 846 1HB GLU 97 1HB GLU 97 38.179 26.300 14.250 847 2HB GLU 97 2HB GLU 97 39.383 27.273 15.085 848 1HG GLU 97 1HG GLU 97 37.663 28.191 16.131 849 2HG GLU 97 2HG GLU 97 37.373 29.076 14.630 850 H GLU 98 H GLU 98 36.985 26.807 12.413 851 HA GLU 98 HA GLU 98 35.225 29.063 12.032 852 1HB GLU 98 1HB GLU 98 35.655 29.514 9.881 853 2HB GLU 98 2HB GLU 98 36.868 28.241 9.821 854 1HG GLU 98 1HG GLU 98 35.257 26.608 9.162 855 2HG GLU 98 2HG GLU 98 33.908 27.682 9.542 856 H LEU 99 H LEU 99 33.689 28.049 13.160 857 HA LEU 99 HA LEU 99 33.146 25.291 13.323 858 1HB LEU 99 1HB LEU 99 31.095 25.866 14.262 859 2HB LEU 99 2HB LEU 99 32.056 27.320 14.532 860 HG LEU 99 HG LEU 99 31.095 28.078 12.228 861 1HD1 LEU 99 1HD1 LEU 99 29.658 25.601 12.787 862 2HD1 LEU 99 2HD1 LEU 99 28.562 26.967 12.555 863 3HD1 LEU 99 3HD1 LEU 99 29.723 26.539 11.289 864 1HD2 LEU 99 2HD2 LEU 99 29.724 27.963 14.912 865 2HD2 LEU 99 3HD2 LEU 99 30.556 29.316 14.155 866 3HD2 LEU 99 1HD2 LEU 99 28.966 28.816 13.567 867 H MET 100 H MET 100 31.044 24.274 12.347 868 HA MET 100 HA MET 100 30.782 25.105 9.521 869 1HB MET 100 1HB MET 100 31.758 22.456 10.485 870 2HB MET 100 2HB MET 100 31.467 22.900 8.793 871 1HG MET 100 1HG MET 100 33.069 24.817 9.103 872 2HG MET 100 2HG MET 100 33.465 24.166 10.690 873 1HE MET 100 2HE MET 100 32.873 21.230 10.033 874 2HE MET 100 3HE MET 100 32.387 21.534 8.358 875 3HE MET 100 1HE MET 100 33.752 20.477 8.703 876 H PHE 101 H PHE 101 28.710 24.992 8.964 877 HA PHE 101 HA PHE 101 26.637 23.896 10.424 878 1HB PHE 101 1HB PHE 101 26.550 25.286 8.195 879 2HB PHE 101 2HB PHE 101 26.614 23.702 7.441 880 HD1 PHE 101 HD1 PHE 101 25.085 23.779 10.694 881 HD2 PHE 101 HD2 PHE 101 24.324 24.268 6.498 882 HE1 PHE 101 HE1 PHE 101 22.694 23.440 11.098 883 HE2 PHE 101 HE2 PHE 101 21.893 23.929 6.910 884 HZ PHE 101 HZ PHE 101 21.075 23.508 9.227 885 H PHE 102 H PHE 102 26.275 21.763 10.994 886 HA PHE 102 HA PHE 102 27.486 19.768 9.133 887 1HB PHE 102 1HB PHE 102 27.268 19.926 12.070 888 2HB PHE 102 2HB PHE 102 26.900 18.338 11.384 889 HD1 PHE 102 HD2 PHE 102 28.536 17.507 9.498 890 HD2 PHE 102 HD1 PHE 102 29.485 20.527 12.406 891 HE1 PHE 102 HE2 PHE 102 30.962 17.171 9.062 892 HE2 PHE 102 HE1 PHE 102 31.895 20.207 11.979 893 HZ PHE 102 HZ PHE 102 32.646 18.519 10.285 894 H LEU 103 H LEU 103 25.953 19.036 7.787 895 HA LEU 103 HA LEU 103 23.121 18.983 8.580 896 1HB LEU 103 1HB LEU 103 24.172 17.830 6.036 897 2HB LEU 103 2HB LEU 103 22.647 18.648 6.304 898 HG LEU 103 HG LEU 103 25.365 19.793 5.781 899 1HD1 LEU 103 1HD1 LEU 103 22.612 20.000 4.776 900 2HD1 LEU 103 2HD1 LEU 103 23.442 21.551 4.906 901 3HD1 LEU 103 3HD1 LEU 103 24.142 20.255 3.936 902 1HD2 LEU 103 1HD2 LEU 103 23.883 20.631 8.063 903 2HD2 LEU 103 2HD2 LEU 103 25.275 21.424 7.335 904 3HD2 LEU 103 3HD2 LEU 103 23.645 21.861 6.825 905 H TRP 104 H TRP 104 24.726 17.454 10.099 906 HA TRP 104 HA TRP 104 25.518 14.983 9.827 907 1HB TRP 104 1HB TRP 104 25.230 15.884 12.051 908 2HB TRP 104 2HB TRP 104 23.469 15.794 11.900 909 HD1 TRP 104 HD1 TRP 104 23.169 13.943 13.813 910 HE1 TRP 104 HE1 TRP 104 23.691 11.408 13.829 911 HE3 TRP 104 HE3 TRP 104 26.176 13.631 9.696 912 HZ2 TRP 104 HZ2 TRP 104 25.299 9.525 12.253 913 HZ3 TRP 104 HZ3 TRP 104 27.130 11.555 9.002 914 HH2 TRP 104 HH2 TRP 104 26.700 9.468 10.261 915 H ALA 105 H ALA 105 24.404 14.181 7.815 916 HA ALA 105 HA ALA 105 21.719 13.072 8.250 917 1HB ALA 105 3HB ALA 105 23.591 13.163 5.865 918 2HB ALA 105 1HB ALA 105 22.130 12.179 5.865 919 3HB ALA 105 2HB ALA 105 22.014 13.933 6.023 920 HA PRO 106 HA PRO 106 24.010 9.495 9.657 921 1HB PRO 106 1HB PRO 106 21.866 8.273 10.818 922 2HB PRO 106 2HB PRO 106 22.730 9.618 11.579 923 1HG PRO 106 1HG PRO 106 20.052 9.590 10.327 924 2HG PRO 106 2HG PRO 106 20.714 10.727 11.510 925 1HD PRO 106 1HD PRO 106 20.462 11.119 8.669 926 2HD PRO 106 2HD PRO 106 21.230 12.225 9.836 927 H GLU 107 H GLU 107 21.842 9.789 7.233 928 HA GLU 107 HA GLU 107 21.372 8.420 5.402 929 1HB GLU 107 1HB GLU 107 23.641 7.385 6.061 930 2HB GLU 107 2HB GLU 107 22.689 6.129 6.852 931 1HG GLU 107 1HG GLU 107 22.013 6.879 4.030 932 2HG GLU 107 2HG GLU 107 23.423 5.860 4.318 933 H LEU 108 H LEU 108 20.774 7.244 8.707 934 HA LEU 108 HA LEU 108 18.414 5.778 7.702 935 1HB LEU 108 1HB LEU 108 19.182 4.172 9.065 936 2HB LEU 108 2HB LEU 108 20.479 5.221 9.608 937 HG LEU 108 HG LEU 108 18.631 6.238 11.166 938 1HD1 LEU 108 1HD1 LEU 108 17.004 4.622 9.809 939 2HD1 LEU 108 2HD1 LEU 108 17.512 3.488 11.062 940 3HD1 LEU 108 3HD1 LEU 108 16.723 5.002 11.513 941 1HD2 LEU 108 2HD2 LEU 108 20.674 4.480 11.470 942 2HD2 LEU 108 3HD2 LEU 108 19.687 5.075 12.806 943 3HD2 LEU 108 1HD2 LEU 108 19.315 3.518 12.060 944 H ALA 109 H ALA 109 19.351 7.786 10.516 945 HA ALA 109 HA ALA 109 17.875 8.915 12.025 946 1HB ALA 109 1HB ALA 109 18.538 10.269 9.591 947 2HB ALA 109 2HB ALA 109 16.947 10.808 10.137 948 3HB ALA 109 3HB ALA 109 18.343 10.938 11.218 949 HA PRO 110 HA PRO 110 13.519 8.411 11.568 950 1HB PRO 110 1HB PRO 110 12.527 10.800 12.514 951 2HB PRO 110 2HB PRO 110 13.246 9.567 13.560 952 1HG PRO 110 1HG PRO 110 14.374 12.182 12.722 953 2HG PRO 110 2HG PRO 110 14.777 11.189 14.128 954 1HD PRO 110 1HD PRO 110 16.258 11.410 11.705 955 2HD PRO 110 2HD PRO 110 16.569 10.278 13.038 956 H LEU 111 H LEU 111 11.795 8.874 10.046 957 HA LEU 111 HA LEU 111 12.488 10.028 7.566 958 1HB LEU 111 1HB LEU 111 9.689 9.875 8.720 959 2HB LEU 111 2HB LEU 111 10.126 9.916 7.013 960 HG LEU 111 HG LEU 111 11.460 7.775 8.528 961 1HD1 LEU 111 2HD1 LEU 111 8.966 8.106 9.417 962 2HD1 LEU 111 3HD1 LEU 111 8.579 7.253 7.923 963 3HD1 LEU 111 1HD1 LEU 111 9.626 6.497 9.124 964 1HD2 LEU 111 2HD2 LEU 111 10.882 8.388 5.893 965 2HD2 LEU 111 3HD2 LEU 111 11.436 6.817 6.471 966 3HD2 LEU 111 1HD2 LEU 111 9.712 7.121 6.260 967 H LYS 112 H LYS 112 11.383 11.558 10.462 968 HA LYS 112 HA LYS 112 10.360 13.979 9.267 969 1HB LYS 112 1HB LYS 112 10.748 14.857 11.643 970 2HB LYS 112 2HB LYS 112 9.633 13.502 11.467 971 1HG LYS 112 1HG LYS 112 10.919 12.326 12.905 972 2HG LYS 112 2HG LYS 112 12.231 12.409 11.730 973 1HD LYS 112 1HD LYS 112 11.676 14.723 13.569 974 2HD LYS 112 2HD LYS 112 12.690 13.371 14.082 975 1HE LYS 112 1HE LYS 112 13.942 13.724 11.845 976 2HE LYS 112 2HE LYS 112 13.147 15.301 11.811 977 1HZ LYS 112 1HZ LYS 112 14.116 15.009 14.373 978 2HZ LYS 112 2HZ LYS 112 15.365 14.448 13.366 979 3HZ LYS 112 3HZ LYS 112 14.743 16.011 13.154 980 H SER 113 H SER 113 13.613 13.002 9.882 981 HA SER 113 HA SER 113 14.472 15.862 9.670 982 1HB SER 113 1HB SER 113 15.614 15.191 11.548 983 2HB SER 113 2HB SER 113 15.626 13.495 11.068 984 HG SER 113 HG SER 113 17.684 14.729 10.970 985 H LYS 114 H LYS 114 13.921 13.389 7.699 986 HA LYS 114 HA LYS 114 16.323 13.941 6.003 987 1HB LYS 114 1HB LYS 114 14.677 11.543 5.442 988 2HB LYS 114 2HB LYS 114 16.433 11.720 5.469 989 1HG LYS 114 1HG LYS 114 15.893 12.068 8.117 990 2HG LYS 114 2HG LYS 114 14.574 10.984 7.669 991 1HD LYS 114 1HD LYS 114 17.450 10.439 6.906 992 2HD LYS 114 2HD LYS 114 16.736 9.841 8.404 993 1HE LYS 114 1HE LYS 114 15.426 8.305 7.324 994 2HE LYS 114 2HE LYS 114 15.170 9.353 5.929 995 1HZ LYS 114 1HZ LYS 114 17.742 8.896 5.647 996 2HZ LYS 114 2HZ LYS 114 17.333 7.469 6.467 997 3HZ LYS 114 3HZ LYS 114 16.566 7.854 5.000 998 H MET 115 H MET 115 12.869 13.476 6.186 999 HA MET 115 HA MET 115 12.354 14.161 3.375 1000 1HB MET 115 1HB MET 115 10.466 14.086 5.745 1001 2HB MET 115 2HB MET 115 10.038 13.945 4.030 1002 1HG MET 115 1HG MET 115 12.021 11.957 4.964 1003 2HG MET 115 2HG MET 115 10.419 11.789 5.684 1004 1HE MET 115 2HE MET 115 9.451 9.803 4.824 1005 2HE MET 115 3HE MET 115 8.317 11.111 4.515 1006 3HE MET 115 1HE MET 115 8.556 9.855 3.300 1007 H ILE 116 H ILE 116 12.352 15.575 6.548 1008 HA ILE 116 HA ILE 116 10.961 17.948 5.796 1009 HB ILE 116 HB ILE 116 12.251 16.632 8.085 1010 1HG1 ILE 116 1HG1 ILE 116 10.162 16.344 8.866 1011 2HG1 ILE 116 2HG1 ILE 116 9.661 17.980 8.437 1012 1HG2 ILE 116 3HG2 ILE 116 11.846 19.525 7.774 1013 2HG2 ILE 116 1HG2 ILE 116 11.517 18.793 9.350 1014 3HG2 ILE 116 2HG2 ILE 116 13.102 18.612 8.613 1015 1HD1 ILE 116 1HD1 ILE 116 10.037 15.776 6.392 1016 2HD1 ILE 116 2HD1 ILE 116 8.492 16.120 7.155 1017 3HD1 ILE 116 3HD1 ILE 116 9.264 17.341 6.147 1018 H TYR 117 H TYR 117 14.065 17.267 7.279 1019 HA TYR 117 HA TYR 117 15.231 19.812 7.196 1020 1HB TYR 117 1HB TYR 117 16.167 17.006 7.302 1021 2HB TYR 117 2HB TYR 117 17.372 18.212 6.836 1022 HD1 TYR 117 HD1 TYR 117 15.409 20.223 8.746 1023 HD2 TYR 117 HD2 TYR 117 17.854 16.725 9.232 1024 HE1 TYR 117 HE1 TYR 117 15.782 20.815 11.103 1025 HE2 TYR 117 HE2 TYR 117 18.232 17.327 11.611 1026 HH TYR 117 HH TYR 117 18.216 19.460 12.967 1027 H ALA 118 H ALA 118 14.764 17.430 4.795 1028 HA ALA 118 HA ALA 118 16.470 18.039 2.717 1029 1HB ALA 118 1HB ALA 118 13.993 16.767 3.168 1030 2HB ALA 118 2HB ALA 118 13.754 17.840 1.784 1031 3HB ALA 118 3HB ALA 118 15.026 16.614 1.735 1032 H SER 119 H SER 119 13.389 19.670 3.515 1033 HA SER 119 HA SER 119 14.270 21.972 1.792 1034 1HB SER 119 1HB SER 119 11.534 20.911 2.499 1035 2HB SER 119 2HB SER 119 11.784 22.468 1.716 1036 HG SER 119 HG SER 119 11.862 19.957 0.677 1037 H SER 120 H SER 120 14.133 21.037 4.900 1038 HA SER 120 HA SER 120 13.026 23.591 5.956 1039 1HB SER 120 1HB SER 120 13.687 20.935 7.211 1040 2HB SER 120 2HB SER 120 13.419 22.367 8.200 1041 HG SER 120 HG SER 120 11.364 22.488 7.478 1042 H LYS 121 H LYS 121 16.084 22.121 5.342 1043 HA LYS 121 HA LYS 121 17.600 23.393 7.384 1044 1HB LYS 121 1HB LYS 121 18.270 21.397 6.304 1045 2HB LYS 121 2HB LYS 121 18.216 22.152 4.720 1046 1HG LYS 121 1HG LYS 121 19.878 23.793 5.596 1047 2HG LYS 121 2HG LYS 121 20.111 22.716 6.983 1048 1HD LYS 121 1HD LYS 121 21.470 21.425 5.695 1049 2HD LYS 121 2HD LYS 121 20.099 21.112 4.629 1050 1HE LYS 121 1HE LYS 121 20.704 23.510 3.688 1051 2HE LYS 121 2HE LYS 121 22.294 23.140 4.357 1052 1HZ LYS 121 3HZ LYS 121 21.093 20.982 2.866 1053 2HZ LYS 121 1HZ LYS 121 21.433 22.361 1.933 1054 3HZ LYS 121 2HZ LYS 121 22.674 21.598 2.802 1055 H ASP 122 H ASP 122 16.008 24.657 4.818 1056 HA ASP 122 HA ASP 122 17.848 26.764 4.010 1057 1HB ASP 122 1HB ASP 122 14.830 26.522 3.722 1058 2HB ASP 122 2HB ASP 122 15.858 27.679 2.865 1059 H ALA 123 H ALA 123 15.290 26.036 6.189 1060 HA ALA 123 HA ALA 123 14.740 28.637 7.249 1061 1HB ALA 123 2HB ALA 123 13.723 26.128 7.465 1062 2HB ALA 123 3HB ALA 123 14.578 26.261 9.009 1063 3HB ALA 123 1HB ALA 123 13.322 27.434 8.589 1064 H ILE 124 H ILE 124 16.659 25.931 8.614 1065 HA ILE 124 HA ILE 124 17.921 27.377 10.692 1066 HB ILE 124 HB ILE 124 18.208 24.984 10.546 1067 1HG1 ILE 124 1HG1 ILE 124 20.915 25.937 9.780 1068 2HG1 ILE 124 2HG1 ILE 124 20.140 26.730 11.150 1069 1HG2 ILE 124 3HG2 ILE 124 18.197 25.269 7.912 1070 2HG2 ILE 124 1HG2 ILE 124 19.950 25.243 8.142 1071 3HG2 ILE 124 2HG2 ILE 124 18.963 23.867 8.666 1072 1HD1 ILE 124 3HD1 ILE 124 20.327 23.730 10.907 1073 2HD1 ILE 124 1HD1 ILE 124 21.581 24.704 11.700 1074 3HD1 ILE 124 2HD1 ILE 124 19.929 24.689 12.350 1075 H LYS 125 H LYS 125 18.606 26.953 7.303 1076 HA LYS 125 HA LYS 125 21.126 28.203 7.128 1077 1HB LYS 125 1HB LYS 125 19.098 27.259 5.347 1078 2HB LYS 125 2HB LYS 125 19.603 28.869 4.818 1079 1HG LYS 125 1HG LYS 125 21.492 27.987 3.975 1080 2HG LYS 125 2HG LYS 125 21.955 27.502 5.603 1081 1HD LYS 125 1HD LYS 125 21.929 25.559 4.092 1082 2HD LYS 125 2HD LYS 125 20.696 25.401 5.342 1083 1HE LYS 125 1HE LYS 125 19.171 25.131 3.710 1084 2HE LYS 125 2HE LYS 125 19.460 26.811 3.252 1085 1HZ LYS 125 2HZ LYS 125 21.196 24.620 2.293 1086 2HZ LYS 125 3HZ LYS 125 19.784 25.073 1.465 1087 3HZ LYS 125 1HZ LYS 125 21.041 26.193 1.674 1088 H LYS 126 H LYS 126 17.892 29.656 7.155 1089 HA LYS 126 HA LYS 126 18.800 32.302 6.451 1090 1HB LYS 126 1HB LYS 126 16.313 31.269 7.798 1091 2HB LYS 126 2HB LYS 126 16.602 33.000 7.611 1092 1HG LYS 126 1HG LYS 126 17.210 32.020 5.104 1093 2HG LYS 126 2HG LYS 126 15.848 31.011 5.592 1094 1HD LYS 126 1HD LYS 126 15.216 33.656 6.389 1095 2HD LYS 126 2HD LYS 126 15.826 33.760 4.736 1096 1HE LYS 126 1HE LYS 126 13.923 31.548 5.332 1097 2HE LYS 126 2HE LYS 126 13.257 33.181 5.278 1098 1HZ LYS 126 1HZ LYS 126 14.658 33.318 3.108 1099 2HZ LYS 126 2HZ LYS 126 14.543 31.626 3.145 1100 3HZ LYS 126 3HZ LYS 126 13.132 32.571 3.092 1101 H LYS 127 H LYS 127 18.951 30.494 9.368 1102 HA LYS 127 HA LYS 127 19.763 32.931 10.898 1103 1HB LYS 127 1HB LYS 127 19.354 30.195 12.115 1104 2HB LYS 127 2HB LYS 127 19.349 31.760 12.918 1105 1HG LYS 127 1HG LYS 127 17.214 30.601 11.120 1106 2HG LYS 127 2HG LYS 127 17.079 31.045 12.820 1107 1HD LYS 127 1HD LYS 127 16.586 33.174 12.304 1108 2HD LYS 127 2HD LYS 127 17.982 33.299 11.232 1109 1HE LYS 127 1HE LYS 127 16.706 32.104 9.479 1110 2HE LYS 127 2HE LYS 127 15.297 32.083 10.534 1111 1HZ LYS 127 1HZ LYS 127 16.644 34.631 9.952 1112 2HZ LYS 127 2HZ LYS 127 15.572 33.974 8.811 1113 3HZ LYS 127 3HZ LYS 127 15.023 34.343 10.372 1114 H PHE 128 H PHE 128 20.743 30.214 9.198 1115 HA PHE 128 HA PHE 128 23.315 29.972 10.623 1116 1HB PHE 128 1HB PHE 128 21.700 28.273 8.839 1117 2HB PHE 128 2HB PHE 128 23.438 28.181 8.571 1118 HD1 PHE 128 HD2 PHE 128 21.820 29.224 11.657 1119 HD2 PHE 128 HD1 PHE 128 23.852 26.026 9.653 1120 HE1 PHE 128 HE2 PHE 128 22.045 28.028 13.817 1121 HE2 PHE 128 HE1 PHE 128 24.086 24.823 11.846 1122 HZ PHE 128 HZ PHE 128 23.183 25.827 13.912 1123 H GLN 129 H GLN 129 22.785 32.301 9.537 1124 HA GLN 129 HA GLN 129 23.937 32.679 6.891 1125 1HB GLN 129 1HB GLN 129 24.149 34.899 8.843 1126 2HB GLN 129 2HB GLN 129 23.467 34.898 7.218 1127 1HG GLN 129 1HG GLN 129 21.674 33.303 8.507 1128 2HG GLN 129 2HG GLN 129 22.154 34.375 9.821 1129 1HE2 GLN 129 2HE2 GLN 129 19.731 35.767 6.911 1130 2HE2 GLN 129 1HE2 GLN 129 20.186 34.135 7.014 1131 H GLY 130 H GLY 130 25.131 32.753 10.215 1132 1HA GLY 130 1HA GLY 130 27.910 33.147 9.222 1133 2HA GLY 130 2HA GLY 130 27.401 33.277 10.910 1134 H ILE 131 H ILE 131 26.941 30.773 8.402 1135 HA ILE 131 HA ILE 131 27.304 28.649 10.298 1136 HB ILE 131 HB ILE 131 26.417 29.038 7.561 1137 1HG1 ILE 131 1HG1 ILE 131 24.971 28.329 9.346 1138 2HG1 ILE 131 2HG1 ILE 131 25.096 27.034 8.144 1139 1HG2 ILE 131 3HG2 ILE 131 28.042 26.612 8.257 1140 2HG2 ILE 131 1HG2 ILE 131 26.992 26.741 6.850 1141 3HG2 ILE 131 2HG2 ILE 131 28.403 27.797 6.994 1142 1HD1 ILE 131 3HD1 ILE 131 27.215 26.489 9.687 1143 2HD1 ILE 131 1HD1 ILE 131 26.093 27.179 10.887 1144 3HD1 ILE 131 2HD1 ILE 131 25.598 25.778 9.930 1145 H LYS 132 H LYS 132 29.171 30.204 7.843 1146 HA LYS 132 HA LYS 132 31.513 30.158 7.515 1147 1HB LYS 132 1HB LYS 132 31.861 27.861 9.391 1148 2HB LYS 132 2HB LYS 132 32.941 29.213 9.079 1149 1HG LYS 132 1HG LYS 132 30.504 29.117 10.810 1150 2HG LYS 132 2HG LYS 132 32.109 29.724 11.196 1151 1HD LYS 132 1HD LYS 132 31.457 31.324 9.102 1152 2HD LYS 132 2HD LYS 132 29.872 31.062 9.818 1153 1HE LYS 132 1HE LYS 132 32.336 32.203 11.156 1154 2HE LYS 132 2HE LYS 132 30.780 32.997 10.912 1155 1HZ LYS 132 3HZ LYS 132 31.226 30.592 12.597 1156 2HZ LYS 132 1HZ LYS 132 31.062 32.176 13.186 1157 3HZ LYS 132 2HZ LYS 132 29.758 31.425 12.406 1158 H HIS 133 H HIS 133 29.830 27.033 8.058 1159 HA HIS 133 HA HIS 133 30.882 26.239 5.385 1160 1HB HIS 133 1HB HIS 133 31.704 25.086 7.970 1161 2HB HIS 133 2HB HIS 133 31.434 23.964 6.651 1162 HD1 HIS 133 HD1 HIS 133 32.429 25.963 4.376 1163 HD2 HIS 133 HD2 HIS 133 34.480 25.004 7.871 1164 HE1 HIS 133 HE1 HIS 133 34.873 26.442 3.915 1165 H GLU 134 H GLU 134 29.183 25.405 4.295 1166 HA GLU 134 HA GLU 134 27.130 23.965 5.873 1167 1HB GLU 134 1HB GLU 134 25.803 25.028 4.440 1168 2HB GLU 134 2HB GLU 134 27.097 25.327 3.281 1169 1HG GLU 134 1HG GLU 134 26.863 23.173 2.314 1170 2HG GLU 134 2HG GLU 134 25.914 22.585 3.683 1171 H CYS 135 H CYS 135 27.794 22.018 6.240 1172 HA CYS 135 HA CYS 135 29.037 20.428 4.005 1173 1HB CYS 135 1HB CYS 135 29.658 19.373 6.619 1174 2HB CYS 135 2HB CYS 135 30.762 19.956 5.366 1175 HG CYS 135 HG CYS 135 29.964 21.499 7.844 1176 H GLN 136 H GLN 136 27.514 18.904 3.309 1177 HA GLN 136 HA GLN 136 25.695 17.783 5.320 1178 1HB GLN 136 1HB GLN 136 25.348 18.303 2.609 1179 2HB GLN 136 2HB GLN 136 25.483 16.540 2.696 1180 1HG GLN 136 1HG GLN 136 23.927 16.870 4.805 1181 2HG GLN 136 2HG GLN 136 23.472 18.348 3.974 1182 1HE2 GLN 136 2HE2 GLN 136 21.015 16.029 2.820 1183 2HE2 GLN 136 1HE2 GLN 136 21.354 17.112 4.073 1184 H ALA 137 H ALA 137 25.616 15.645 5.910 1185 HA ALA 137 HA ALA 137 28.082 14.083 5.349 1186 1HB ALA 137 2HB ALA 137 26.164 14.036 7.663 1187 2HB ALA 137 3HB ALA 137 27.484 12.892 7.460 1188 3HB ALA 137 1HB ALA 137 27.825 14.609 7.680 1189 H ASN 138 H ASN 138 25.611 12.434 6.802 1190 HA ASN 138 HA ASN 138 23.823 11.068 5.958 1191 1HB ASN 138 1HB ASN 138 25.255 11.342 3.307 1192 2HB ASN 138 2HB ASN 138 23.950 10.204 3.616 1193 1HD2 ASN 138 2HD2 ASN 138 22.997 14.223 3.539 1194 2HD2 ASN 138 1HD2 ASN 138 24.612 13.774 3.750 1195 H GLY 139 H GLY 139 26.568 10.936 7.002 1196 1HA GLY 139 1HA GLY 139 26.786 8.226 7.650 1197 2HA GLY 139 2HA GLY 139 27.962 8.576 6.353 1198 HA PRO 140 HA PRO 140 28.927 10.885 10.413 1199 1HB PRO 140 1HB PRO 140 30.296 8.981 11.892 1200 2HB PRO 140 2HB PRO 140 28.579 9.364 12.116 1201 1HG PRO 140 1HG PRO 140 29.823 7.021 10.731 1202 2HG PRO 140 2HG PRO 140 28.286 7.117 11.611 1203 1HD PRO 140 1HD PRO 140 28.511 7.141 8.818 1204 2HD PRO 140 2HD PRO 140 27.110 7.767 9.713 1205 H GLU 141 H GLU 141 30.213 9.176 7.914 1206 HA GLU 141 HA GLU 141 33.040 9.863 8.398 1207 1HB GLU 141 1HB GLU 141 33.297 7.853 7.404 1208 2HB GLU 141 2HB GLU 141 31.570 7.783 7.010 1209 1HG GLU 141 1HG GLU 141 31.908 9.162 5.051 1210 2HG GLU 141 2HG GLU 141 33.607 9.387 5.457 1211 H ASP 142 H ASP 142 30.175 11.031 6.683 1212 HA ASP 142 HA ASP 142 31.766 12.273 4.566 1213 1HB ASP 142 1HB ASP 142 28.907 12.448 5.489 1214 2HB ASP 142 2HB ASP 142 29.549 13.640 4.352 1215 H LEU 143 H LEU 143 31.216 12.771 7.836 1216 HA LEU 143 HA LEU 143 31.722 15.665 7.801 1217 1HB LEU 143 1HB LEU 143 31.461 13.724 10.100 1218 2HB LEU 143 2HB LEU 143 31.470 15.484 10.231 1219 HG LEU 143 HG LEU 143 29.421 15.402 8.665 1220 1HD1 LEU 143 1HD1 LEU 143 29.903 12.523 9.341 1221 2HD1 LEU 143 2HD1 LEU 143 28.237 13.083 9.189 1222 3HD1 LEU 143 3HD1 LEU 143 29.350 13.237 7.827 1223 1HD2 LEU 143 3HD2 LEU 143 29.433 14.320 11.480 1224 2HD2 LEU 143 1HD2 LEU 143 29.128 15.980 10.978 1225 3HD2 LEU 143 2HD2 LEU 143 27.940 14.721 10.634 1226 H ASN 144 H ASN 144 33.383 12.900 7.375 1227 HA ASN 144 HA ASN 144 35.479 12.521 8.936 1228 1HB ASN 144 1HB ASN 144 35.195 11.413 6.757 1229 2HB ASN 144 2HB ASN 144 35.671 12.905 5.952 1230 1HD2 ASN 144 2HD2 ASN 144 38.567 11.364 8.332 1231 2HD2 ASN 144 1HD2 ASN 144 36.971 11.502 8.910 1232 H ARG 145 H ARG 145 37.284 13.499 9.451 1233 HA ARG 145 HA ARG 145 37.434 16.355 9.266 1234 1HB ARG 145 1HB ARG 145 39.908 15.790 10.086 1235 2HB ARG 145 2HB ARG 145 38.524 15.680 11.169 1236 1HG ARG 145 1HG ARG 145 38.697 13.434 11.354 1237 2HG ARG 145 2HG ARG 145 38.958 13.227 9.609 1238 1HD ARG 145 1HD ARG 145 40.930 12.537 11.012 1239 2HD ARG 145 2HD ARG 145 41.302 13.797 9.836 1240 HE ARG 145 HE ARG 145 40.599 15.132 12.206 1241 1HH1 ARG 145 1HH2 ARG 145 41.990 12.737 13.428 1242 2HH1 ARG 145 2HH2 ARG 145 43.628 13.295 13.513 1243 1HH2 ARG 145 1HH1 ARG 145 43.126 15.924 11.311 1244 2HH2 ARG 145 2HH1 ARG 145 44.272 15.100 12.315 1245 H ALA 146 H ALA 146 38.925 13.715 7.507 1246 HA ALA 146 HA ALA 146 40.865 15.243 6.043 1247 1HB ALA 146 1HB ALA 146 40.421 12.625 6.204 1248 2HB ALA 146 2HB ALA 146 39.367 12.941 4.818 1249 3HB ALA 146 3HB ALA 146 41.096 13.316 4.726 1250 H CYS 147 H CYS 147 37.501 14.476 5.732 1251 HA CYS 147 HA CYS 147 37.118 15.773 3.127 1252 1HB CYS 147 1HB CYS 147 35.807 13.890 4.424 1253 2HB CYS 147 2HB CYS 147 34.927 15.304 5.033 1254 HG CYS 147 HG CYS 147 35.191 14.761 1.951 1255 H ILE 148 H ILE 148 36.776 16.604 6.479 1256 HA ILE 148 HA ILE 148 35.392 19.058 5.962 1257 HB ILE 148 HB ILE 148 36.990 17.965 8.282 1258 1HG1 ILE 148 1HG1 ILE 148 35.157 16.711 8.618 1259 2HG1 ILE 148 2HG1 ILE 148 34.322 18.193 9.048 1260 1HG2 ILE 148 2HG2 ILE 148 35.386 20.450 7.873 1261 2HG2 ILE 148 3HG2 ILE 148 35.774 19.832 9.483 1262 3HG2 ILE 148 1HG2 ILE 148 37.066 20.283 8.370 1263 1HD1 ILE 148 2HD1 ILE 148 34.501 17.094 6.229 1264 2HD1 ILE 148 3HD1 ILE 148 33.150 16.775 7.328 1265 3HD1 ILE 148 1HD1 ILE 148 33.489 18.437 6.792 1266 H ALA 149 H ALA 149 38.394 17.632 5.825 1267 HA ALA 149 HA ALA 149 40.077 20.053 5.786 1268 1HB ALA 149 1HB ALA 149 40.454 17.080 5.682 1269 2HB ALA 149 2HB ALA 149 41.756 18.143 5.151 1270 3HB ALA 149 3HB ALA 149 41.161 18.234 6.810 1271 H GLU 150 H GLU 150 37.923 19.207 3.941 1272 HA GLU 150 HA GLU 150 39.287 19.557 1.353 1273 1HB GLU 150 1HB GLU 150 38.622 17.457 0.896 1274 2HB GLU 150 2HB GLU 150 37.611 17.377 2.341 1275 1HG GLU 150 1HG GLU 150 35.831 18.581 1.205 1276 2HG GLU 150 2HG GLU 150 36.837 18.781 -0.233 1277 H LYS 151 H LYS 151 36.513 19.873 3.457 1278 HA LYS 151 HA LYS 151 35.027 21.628 1.694 1279 1HB LYS 151 1HB LYS 151 33.485 20.759 3.121 1280 2HB LYS 151 2HB LYS 151 34.728 20.234 4.257 1281 1HG LYS 151 1HG LYS 151 34.729 22.271 5.387 1282 2HG LYS 151 2HG LYS 151 33.964 23.134 4.047 1283 1HD LYS 151 1HD LYS 151 32.664 21.023 5.809 1284 2HD LYS 151 2HD LYS 151 32.297 22.754 5.796 1285 1HE LYS 151 1HE LYS 151 31.688 20.696 3.691 1286 2HE LYS 151 2HE LYS 151 30.604 21.872 4.431 1287 1HZ LYS 151 1HZ LYS 151 31.860 23.638 3.322 1288 2HZ LYS 151 2HZ LYS 151 32.832 22.471 2.561 1289 3HZ LYS 151 3HZ LYS 151 31.177 22.553 2.206 1290 H LEU 152 H LEU 152 37.522 21.626 4.057 1291 HA LEU 152 HA LEU 152 37.782 24.607 3.933 1292 1HB LEU 152 1HB LEU 152 38.965 22.703 5.993 1293 2HB LEU 152 2HB LEU 152 39.134 24.455 5.977 1294 HG LEU 152 HG LEU 152 36.340 23.781 5.887 1295 1HD1 LEU 152 1HD1 LEU 152 38.031 22.024 7.466 1296 2HD1 LEU 152 2HD1 LEU 152 36.918 22.928 8.504 1297 3HD1 LEU 152 3HD1 LEU 152 36.290 21.932 7.185 1298 1HD2 LEU 152 2HD2 LEU 152 38.164 25.068 7.946 1299 2HD2 LEU 152 3HD2 LEU 152 37.243 25.900 6.693 1300 3HD2 LEU 152 1HD2 LEU 152 36.402 25.102 8.025 1301 H GLY 153 H GLY 153 39.329 21.420 3.907 1302 1HA GLY 153 1HA GLY 153 41.897 22.466 2.958 1303 2HA GLY 153 2HA GLY 153 41.501 20.795 3.271 1304 H GLY 154 H GLY 154 39.102 22.139 1.541 1305 1HA GLY 154 1HA GLY 154 40.285 21.182 -1.046 1306 2HA GLY 154 2HA GLY 154 38.554 21.129 -0.705 1307 H SER 155 H SER 155 40.433 23.764 0.434 1308 HA SER 155 HA SER 155 39.650 25.509 -1.813 1309 1HB SER 155 1HB SER 155 39.073 26.628 0.857 1310 2HB SER 155 2HB SER 155 38.175 26.784 -0.645 1311 HG SER 155 HG SER 155 37.530 24.557 -0.299 1312 H LEU 156 H LEU 156 40.729 26.312 1.486 1313 HA LEU 156 HA LEU 156 43.471 26.834 0.533 1314 1HB LEU 156 1HB LEU 156 42.084 29.164 1.766 1315 2HB LEU 156 2HB LEU 156 43.456 29.133 0.666 1316 HG LEU 156 HG LEU 156 41.794 28.210 -1.063 1317 1HD1 LEU 156 2HD1 LEU 156 40.072 28.214 1.079 1318 2HD1 LEU 156 3HD1 LEU 156 39.611 29.670 0.195 1319 3HD1 LEU 156 1HD1 LEU 156 39.603 28.102 -0.621 1320 1HD2 LEU 156 3HD2 LEU 156 42.349 30.905 -0.154 1321 2HD2 LEU 156 1HD2 LEU 156 42.233 30.291 -1.804 1322 3HD2 LEU 156 2HD2 LEU 156 40.779 30.808 -0.952 1323 H ILE 157 H ILE 157 43.213 25.076 2.608 1324 HA ILE 157 HA ILE 157 43.716 26.870 4.915 1325 HB ILE 157 HB ILE 157 43.208 24.956 6.378 1326 1HG1 ILE 157 1HG1 ILE 157 42.267 23.698 3.810 1327 2HG1 ILE 157 2HG1 ILE 157 43.678 23.156 4.747 1328 1HG2 ILE 157 1HG2 ILE 157 41.427 26.532 4.781 1329 2HG2 ILE 157 2HG2 ILE 157 40.706 24.944 5.048 1330 3HG2 ILE 157 3HG2 ILE 157 41.197 25.934 6.424 1331 1HD1 ILE 157 3HD1 ILE 157 41.758 23.424 6.663 1332 2HD1 ILE 157 1HD1 ILE 157 40.826 22.814 5.281 1333 3HD1 ILE 157 2HD1 ILE 157 42.206 21.893 5.881 1334 H VAL 158 H VAL 158 44.917 24.461 6.309 1335 HA VAL 158 HA VAL 158 47.361 23.962 4.788 1336 HB VAL 158 HB VAL 158 47.203 25.886 7.081 1337 1HG1 VAL 158 2HG1 VAL 158 49.516 24.038 6.446 1338 2HG1 VAL 158 3HG1 VAL 158 49.696 25.525 7.377 1339 3HG1 VAL 158 1HG1 VAL 158 48.677 24.221 7.987 1340 1HG2 VAL 158 3HG2 VAL 158 48.836 25.712 4.528 1341 2HG2 VAL 158 1HG2 VAL 158 47.442 26.757 4.808 1342 3HG2 VAL 158 2HG2 VAL 158 48.942 27.028 5.698 1343 H ALA 159 H ALA 159 45.379 23.535 7.577 1344 HA ALA 159 HA ALA 159 46.706 20.964 8.181 1345 1HB ALA 159 2HB ALA 159 47.183 22.625 9.969 1346 2HB ALA 159 3HB ALA 159 45.449 22.863 10.173 1347 3HB ALA 159 1HB ALA 159 46.175 21.302 10.544 1348 H PHE 160 H PHE 160 45.335 19.331 8.688 1349 HA PHE 160 HA PHE 160 43.216 18.218 8.871 1350 1HB PHE 160 1HB PHE 160 42.307 20.902 8.884 1351 2HB PHE 160 2HB PHE 160 41.582 20.180 7.448 1352 HD1 PHE 160 HD1 PHE 160 42.527 18.431 10.562 1353 HD2 PHE 160 HD2 PHE 160 39.339 19.993 8.176 1354 HE1 PHE 160 HE1 PHE 160 40.879 17.284 12.031 1355 HE2 PHE 160 HE2 PHE 160 37.682 18.851 9.643 1356 HZ PHE 160 HZ PHE 160 38.448 17.504 11.559 1357 H GLU 161 H GLU 161 43.998 20.495 6.414 1358 HA GLU 161 HA GLU 161 43.688 18.571 4.206 1359 1HB GLU 161 1HB GLU 161 42.908 21.117 4.291 1360 2HB GLU 161 2HB GLU 161 44.602 21.424 3.943 1361 1HG GLU 161 1HG GLU 161 42.740 19.700 2.289 1362 2HG GLU 161 2HG GLU 161 43.322 21.312 1.873 1363 H GLY 162 H GLY 162 45.978 20.224 6.308 1364 1HA GLY 162 1HA GLY 162 48.184 19.121 4.604 1365 2HA GLY 162 2HA GLY 162 48.306 20.678 5.395 1366 H CYS 163 H CYS 163 48.382 20.627 7.853 1367 HA CYS 163 HA CYS 163 50.370 18.860 8.711 1368 1HB CYS 163 1HB CYS 163 50.289 20.818 9.916 1369 2HB CYS 163 2HB CYS 163 48.563 20.691 10.213 1370 HG CYS 163 HG CYS 163 50.766 19.400 11.901 1371 HA PRO 164 HA PRO 164 47.578 16.083 11.305 1372 1HB PRO 164 1HB PRO 164 44.885 16.654 11.371 1373 2HB PRO 164 2HB PRO 164 46.056 17.245 12.567 1374 1HG PRO 164 1HG PRO 164 44.801 18.690 10.269 1375 2HG PRO 164 2HG PRO 164 45.302 19.324 11.841 1376 1HD PRO 164 1HD PRO 164 46.814 19.683 9.525 1377 2HD PRO 164 2HD PRO 164 47.475 19.676 11.162 1378 H VAL 165 H VAL 165 45.856 17.401 8.457 1379 HA VAL 165 HA VAL 165 45.992 14.687 7.282 1380 HB VAL 165 HB VAL 165 43.359 15.334 6.632 1381 1HG1 VAL 165 1HG1 VAL 165 44.720 13.371 8.429 1382 2HG1 VAL 165 2HG1 VAL 165 42.959 13.449 8.454 1383 3HG1 VAL 165 3HG1 VAL 165 43.805 13.091 6.948 1384 1HG2 VAL 165 3HG2 VAL 165 43.966 16.479 9.253 1385 2HG2 VAL 165 1HG2 VAL 165 42.492 16.588 8.297 1386 3HG2 VAL 165 2HG2 VAL 165 42.753 15.211 9.362 No H/Q in entry = 1386 Start of MODEL 11 1 1H THR -8 2H THR -8 -12.816 29.440 15.089 2 2H THR -8 3H THR -8 -14.008 28.641 15.999 3 3H THR -8 1H THR -8 -13.357 30.112 16.549 4 HA THR -8 HA THR -8 -11.211 29.105 16.882 5 HB THR -8 HB THR -8 -13.226 27.229 18.106 6 HG1 THR -8 HG1 THR -8 -13.360 29.101 19.666 7 1HG2 THR -8 2HG2 THR -8 -10.524 28.272 18.699 8 2HG2 THR -8 3HG2 THR -8 -11.614 28.189 20.083 9 3HG2 THR -8 1HG2 THR -8 -11.263 26.736 19.147 10 H MET -7 H MET -7 -13.097 27.544 14.628 11 HA MET -7 HA MET -7 -11.720 24.940 14.837 12 1HB MET -7 1HB MET -7 -13.798 26.022 12.916 13 2HB MET -7 2HB MET -7 -13.084 24.416 12.768 14 1HG MET -7 1HG MET -7 -14.757 23.744 14.143 15 2HG MET -7 2HG MET -7 -13.807 24.491 15.428 16 1HE MET -7 2HE MET -7 -16.199 24.681 12.770 17 2HE MET -7 3HE MET -7 -17.582 25.592 13.393 18 3HE MET -7 1HE MET -7 -16.293 26.423 12.523 19 H ILE -6 H ILE -6 -9.886 27.004 14.441 20 HA ILE -6 HA ILE -6 -8.695 26.159 11.910 21 HB ILE -6 HB ILE -6 -9.799 27.822 10.778 22 1HG1 ILE -6 1HG1 ILE -6 -7.751 29.619 12.081 23 2HG1 ILE -6 2HG1 ILE -6 -7.278 28.340 10.963 24 1HG2 ILE -6 1HG2 ILE -6 -11.129 28.525 12.740 25 2HG2 ILE -6 2HG2 ILE -6 -9.762 29.476 13.320 26 3HG2 ILE -6 3HG2 ILE -6 -10.571 29.921 11.818 27 1HD1 ILE -6 1HD1 ILE -6 -9.490 30.130 10.087 28 2HD1 ILE -6 2HD1 ILE -6 -7.871 30.829 10.129 29 3HD1 ILE -6 3HD1 ILE -6 -8.191 29.403 9.142 30 H THR -5 H THR -5 -6.517 26.264 12.035 31 HA THR -5 HA THR -5 -4.960 28.194 13.422 32 HB THR -5 HB THR -5 -5.843 27.291 15.493 33 HG1 THR -5 HG1 THR -5 -3.471 25.885 15.434 34 1HG2 THR -5 2HG2 THR -5 -6.103 24.934 14.058 35 2HG2 THR -5 3HG2 THR -5 -4.806 24.572 15.196 36 3HG2 THR -5 1HG2 THR -5 -6.375 25.116 15.791 37 HA PRO -4 HA PRO -4 -2.691 25.559 10.533 38 1HB PRO -4 1HB PRO -4 -1.025 27.578 9.696 39 2HB PRO -4 2HB PRO -4 -2.645 27.296 9.032 40 1HG PRO -4 1HG PRO -4 -1.731 29.417 10.925 41 2HG PRO -4 2HG PRO -4 -3.061 29.453 9.755 42 1HD PRO -4 1HD PRO -4 -3.337 29.062 12.535 43 2HD PRO -4 2HD PRO -4 -4.581 28.719 11.313 44 H SER -3 H SER -3 -1.670 24.364 12.283 45 HA SER -3 HA SER -3 0.778 25.583 13.454 46 1HB SER -3 1HB SER -3 -0.973 23.256 14.150 47 2HB SER -3 2HB SER -3 0.728 23.171 14.601 48 HG SER -3 HG SER -3 0.101 25.527 15.306 49 H SER -2 H SER -2 1.005 25.193 10.759 50 HA SER -2 HA SER -2 2.079 22.550 10.151 51 1HB SER -2 1HB SER -2 2.683 23.619 7.968 52 2HB SER -2 2HB SER -2 0.983 23.809 8.386 53 HG SER -2 HG SER -2 2.923 25.685 8.054 54 H GLY -1 H GLY -1 4.340 22.671 8.926 55 1HA GLY -1 1HA GLY -1 6.433 24.349 9.446 56 2HA GLY -1 2HA GLY -1 6.281 23.468 10.969 57 H ASN 0 H ASN 0 7.321 21.529 11.095 58 HA ASN 0 HA ASN 0 8.859 20.534 8.867 59 1HB ASN 0 1HB ASN 0 9.597 18.831 10.345 60 2HB ASN 0 2HB ASN 0 9.300 20.216 11.398 61 1HD2 ASN 0 2HD2 ASN 0 7.498 16.944 12.467 62 2HD2 ASN 0 1HD2 ASN 0 9.028 17.108 11.749 63 H SER 1 H SER 1 5.594 20.141 9.847 64 HA SER 1 HA SER 1 4.845 17.585 9.094 65 1HB SER 1 1HB SER 1 2.736 18.672 8.162 66 2HB SER 1 2HB SER 1 3.149 19.127 9.812 67 HG SER 1 HG SER 1 3.025 21.075 9.009 68 H ALA 2 H ALA 2 5.364 20.342 6.885 69 HA ALA 2 HA ALA 2 5.684 18.352 4.670 70 1HB ALA 2 3HB ALA 2 3.805 20.326 4.758 71 2HB ALA 2 1HB ALA 2 5.134 21.180 3.975 72 3HB ALA 2 2HB ALA 2 4.492 19.702 3.257 73 H SER 3 H SER 3 7.873 18.679 6.119 74 HA SER 3 HA SER 3 10.068 19.480 6.173 75 1HB SER 3 1HB SER 3 10.987 20.040 3.859 76 2HB SER 3 2HB SER 3 10.297 18.429 4.045 77 HG SER 3 HG SER 3 9.407 19.274 2.215 78 H GLY 4 H GLY 4 10.071 21.325 7.385 79 1HA GLY 4 1HA GLY 4 10.615 23.832 6.182 80 2HA GLY 4 2HA GLY 4 8.908 23.822 6.631 81 H VAL 5 H VAL 5 11.923 22.617 8.183 82 HA VAL 5 HA VAL 5 11.098 22.840 10.813 83 HB VAL 5 HB VAL 5 13.799 23.911 10.231 84 1HG1 VAL 5 1HG1 VAL 5 12.765 23.493 12.492 85 2HG1 VAL 5 2HG1 VAL 5 12.929 21.770 12.134 86 3HG1 VAL 5 3HG1 VAL 5 14.367 22.792 12.207 87 1HG2 VAL 5 2HG2 VAL 5 12.897 21.059 9.752 88 2HG2 VAL 5 3HG2 VAL 5 13.647 22.133 8.574 89 3HG2 VAL 5 1HG2 VAL 5 14.588 21.521 9.934 90 H GLN 6 H GLN 6 11.220 24.470 12.418 91 HA GLN 6 HA GLN 6 11.063 27.168 11.206 92 1HB GLN 6 1HB GLN 6 9.946 26.322 13.857 93 2HB GLN 6 2HB GLN 6 9.477 27.720 12.868 94 1HG GLN 6 1HG GLN 6 8.175 26.444 11.549 95 2HG GLN 6 2HG GLN 6 9.508 25.294 11.343 96 1HE2 GLN 6 2HE2 GLN 6 8.118 22.896 13.337 97 2HE2 GLN 6 1HE2 GLN 6 9.255 23.367 12.163 98 H VAL 7 H VAL 7 13.313 25.447 12.514 99 HA VAL 7 HA VAL 7 15.292 25.948 13.828 100 HB VAL 7 HB VAL 7 14.448 28.745 13.046 101 1HG1 VAL 7 3HG1 VAL 7 16.853 27.524 14.236 102 2HG1 VAL 7 1HG1 VAL 7 17.185 28.535 12.831 103 3HG1 VAL 7 2HG1 VAL 7 16.350 29.213 14.228 104 1HG2 VAL 7 2HG2 VAL 7 14.574 26.786 11.283 105 2HG2 VAL 7 3HG2 VAL 7 15.268 28.366 10.912 106 3HG2 VAL 7 1HG2 VAL 7 16.311 27.047 11.443 107 H ALA 8 H ALA 8 15.981 26.976 15.764 108 HA ALA 8 HA ALA 8 13.741 27.323 17.663 109 1HB ALA 8 2HB ALA 8 16.119 25.850 17.529 110 2HB ALA 8 3HB ALA 8 16.421 27.081 18.767 111 3HB ALA 8 1HB ALA 8 15.044 25.977 18.932 112 H ASP 9 H ASP 9 16.186 29.099 16.080 113 HA ASP 9 HA ASP 9 16.652 31.415 16.218 114 1HB ASP 9 1HB ASP 9 15.262 31.473 18.895 115 2HB ASP 9 2HB ASP 9 15.649 32.823 17.834 116 H GLU 10 H GLU 10 17.050 29.091 18.748 117 HA GLU 10 HA GLU 10 19.154 30.435 20.175 118 1HB GLU 10 1HB GLU 10 18.484 28.691 21.501 119 2HB GLU 10 2HB GLU 10 17.833 27.796 20.134 120 1HG GLU 10 1HG GLU 10 19.586 26.428 20.851 121 2HG GLU 10 2HG GLU 10 20.345 27.339 19.551 122 H VAL 11 H VAL 11 18.756 29.023 17.105 123 HA VAL 11 HA VAL 11 21.458 28.115 16.698 124 HB VAL 11 HB VAL 11 20.837 28.090 14.309 125 1HG1 VAL 11 1HG1 VAL 11 19.889 26.531 16.382 126 2HG1 VAL 11 2HG1 VAL 11 18.438 26.918 15.464 127 3HG1 VAL 11 3HG1 VAL 11 19.805 26.127 14.668 128 1HG2 VAL 11 3HG2 VAL 11 19.301 30.163 14.727 129 2HG2 VAL 11 1HG2 VAL 11 18.808 28.960 13.539 130 3HG2 VAL 11 2HG2 VAL 11 18.089 28.954 15.149 131 H CYS 12 H CYS 12 19.816 31.118 16.580 132 HA CYS 12 HA CYS 12 21.821 32.474 14.984 133 1HB CYS 12 1HB CYS 12 19.416 33.189 16.389 134 2HB CYS 12 2HB CYS 12 20.708 34.247 16.953 135 HG CYS 12 HG CYS 12 19.608 35.224 14.731 136 H ARG 13 H ARG 13 22.036 30.864 17.926 137 HA ARG 13 HA ARG 13 24.311 32.595 18.762 138 1HB ARG 13 1HB ARG 13 22.616 30.784 20.495 139 2HB ARG 13 2HB ARG 13 24.152 31.515 21.004 140 1HG ARG 13 1HG ARG 13 22.409 33.528 19.857 141 2HG ARG 13 2HG ARG 13 21.577 32.679 21.160 142 1HD ARG 13 1HD ARG 13 24.405 33.407 21.692 143 2HD ARG 13 2HD ARG 13 23.268 34.751 21.598 144 HE ARG 13 HE ARG 13 22.330 32.569 23.298 145 1HH1 ARG 13 1HH2 ARG 13 22.488 35.808 23.244 146 2HH1 ARG 13 2HH2 ARG 13 23.136 36.037 24.833 147 1HH2 ARG 13 1HH1 ARG 13 23.921 32.690 25.282 148 2HH2 ARG 13 2HH1 ARG 13 23.948 34.272 25.987 149 H ILE 14 H ILE 14 23.331 29.677 17.383 150 HA ILE 14 HA ILE 14 25.577 28.169 18.440 151 HB ILE 14 HB ILE 14 23.869 27.538 16.036 152 1HG1 ILE 14 1HG1 ILE 14 23.332 26.382 18.760 153 2HG1 ILE 14 2HG1 ILE 14 22.505 27.831 18.168 154 1HG2 ILE 14 2HG2 ILE 14 26.067 26.199 17.354 155 2HG2 ILE 14 3HG2 ILE 14 24.601 25.195 17.457 156 3HG2 ILE 14 1HG2 ILE 14 25.185 25.733 15.899 157 1HD1 ILE 14 1HD1 ILE 14 21.908 26.541 16.065 158 2HD1 ILE 14 2HD1 ILE 14 22.554 25.099 16.832 159 3HD1 ILE 14 3HD1 ILE 14 21.151 25.907 17.527 160 H PHE 15 H PHE 15 24.502 29.234 15.266 161 HA PHE 15 HA PHE 15 26.984 28.945 13.881 162 1HB PHE 15 1HB PHE 15 25.575 29.644 12.232 163 2HB PHE 15 2HB PHE 15 24.370 30.111 13.447 164 HD1 PHE 15 HD1 PHE 15 24.382 32.329 14.444 165 HD2 PHE 15 HD2 PHE 15 27.095 31.260 11.305 166 HE1 PHE 15 HE1 PHE 15 24.873 34.714 14.079 167 HE2 PHE 15 HE2 PHE 15 27.581 33.665 10.907 168 HZ PHE 15 HZ PHE 15 26.470 35.400 12.298 169 H TYR 16 H TYR 16 25.761 31.126 16.205 170 HA TYR 16 HA TYR 16 27.786 33.207 15.827 171 1HB TYR 16 1HB TYR 16 25.686 34.106 16.264 172 2HB TYR 16 2HB TYR 16 25.212 32.668 17.214 173 HD1 TYR 16 HD2 TYR 16 26.009 32.344 19.463 174 HD2 TYR 16 HD1 TYR 16 26.880 35.953 17.340 175 HE1 TYR 16 HE2 TYR 16 26.715 33.363 21.543 176 HE2 TYR 16 HE1 TYR 16 27.590 37.015 19.458 177 HH TYR 16 HH TYR 16 28.521 35.667 21.974 178 H ASP 17 H ASP 17 27.103 30.419 17.822 179 HA ASP 17 HA ASP 17 28.374 31.404 20.235 180 1HB ASP 17 1HB ASP 17 27.183 28.884 19.328 181 2HB ASP 17 2HB ASP 17 28.621 28.631 20.318 182 H MET 18 H MET 18 29.307 30.236 17.274 183 HA MET 18 HA MET 18 32.150 29.910 18.001 184 1HB MET 18 1HB MET 18 31.801 28.438 15.750 185 2HB MET 18 2HB MET 18 31.760 27.792 17.381 186 1HG MET 18 1HG MET 18 29.242 28.965 16.195 187 2HG MET 18 2HG MET 18 29.702 27.318 15.835 188 1HE MET 18 3HE MET 18 30.874 26.222 17.211 189 2HE MET 18 1HE MET 18 30.723 25.957 18.957 190 3HE MET 18 2HE MET 18 29.532 25.256 17.820 191 H LYS 19 H LYS 19 33.583 30.420 16.070 192 HA LYS 19 HA LYS 19 32.839 31.612 13.673 193 1HB LYS 19 1HB LYS 19 32.007 33.260 15.818 194 2HB LYS 19 2HB LYS 19 33.441 34.034 15.150 195 1HG LYS 19 1HG LYS 19 31.484 34.855 13.968 196 2HG LYS 19 2HG LYS 19 32.431 33.844 12.875 197 1HD LYS 19 1HD LYS 19 30.952 31.911 13.487 198 2HD LYS 19 2HD LYS 19 29.944 33.039 14.396 199 1HE LYS 19 1HE LYS 19 30.599 33.360 11.456 200 2HE LYS 19 2HE LYS 19 29.112 32.628 12.060 201 1HZ LYS 19 3HZ LYS 19 28.717 34.715 13.307 202 2HZ LYS 19 1HZ LYS 19 30.057 35.403 12.529 203 3HZ LYS 19 2HZ LYS 19 28.705 34.923 11.620 204 H VAL 20 H VAL 20 34.795 33.278 16.106 205 HA VAL 20 HA VAL 20 37.263 32.206 14.886 206 HB VAL 20 HB VAL 20 36.736 34.322 13.780 207 1HG1 VAL 20 1HG1 VAL 20 35.795 35.046 16.345 208 2HG1 VAL 20 2HG1 VAL 20 37.106 36.158 15.948 209 3HG1 VAL 20 3HG1 VAL 20 35.728 35.995 14.860 210 1HG2 VAL 20 1HG2 VAL 20 39.130 33.726 15.159 211 2HG2 VAL 20 2HG2 VAL 20 38.940 34.787 13.765 212 3HG2 VAL 20 3HG2 VAL 20 38.849 35.450 15.396 213 H ARG 21 H ARG 21 37.962 34.767 16.919 214 HA ARG 21 HA ARG 21 38.212 32.908 19.224 215 1HB ARG 21 1HB ARG 21 39.662 35.541 18.890 216 2HB ARG 21 2HB ARG 21 40.069 34.202 19.966 217 1HG ARG 21 1HG ARG 21 39.976 33.118 17.357 218 2HG ARG 21 2HG ARG 21 40.883 34.626 17.235 219 1HD ARG 21 1HD ARG 21 41.579 33.032 19.603 220 2HD ARG 21 2HD ARG 21 41.934 32.220 18.078 221 HE ARG 21 HE ARG 21 43.235 34.654 19.081 222 1HH1 ARG 21 1HH2 ARG 21 43.028 35.772 16.604 223 2HH1 ARG 21 2HH2 ARG 21 44.119 34.926 15.557 224 1HH2 ARG 21 1HH1 ARG 21 44.421 32.183 17.658 225 2HH2 ARG 21 2HH1 ARG 21 44.910 32.892 16.155 226 H LYS 22 H LYS 22 35.901 34.701 18.263 227 HA LYS 22 HA LYS 22 35.445 36.918 19.869 228 1HB LYS 22 1HB LYS 22 33.327 36.740 19.103 229 2HB LYS 22 2HB LYS 22 33.872 35.297 18.249 230 1HG LYS 22 1HG LYS 22 33.277 33.919 20.222 231 2HG LYS 22 2HG LYS 22 32.699 35.368 21.045 232 1HD LYS 22 1HD LYS 22 31.603 34.207 18.466 233 2HD LYS 22 2HD LYS 22 30.797 34.219 20.036 234 1HE LYS 22 1HE LYS 22 29.882 36.189 19.414 235 2HE LYS 22 2HE LYS 22 31.489 36.886 19.625 236 1HZ LYS 22 1HZ LYS 22 30.912 35.511 17.109 237 2HZ LYS 22 2HZ LYS 22 30.215 37.042 17.351 238 3HZ LYS 22 3HZ LYS 22 31.902 36.856 17.406 239 H CYS 23 H CYS 23 35.665 33.586 20.830 240 HA CYS 23 HA CYS 23 34.348 33.366 23.248 241 1HB CYS 23 1HB CYS 23 37.249 32.664 23.287 242 2HB CYS 23 2HB CYS 23 35.872 31.784 23.952 243 HG CYS 23 HG CYS 23 36.695 30.575 21.741 244 H SER 24 H SER 24 34.089 35.006 24.723 245 HA SER 24 HA SER 24 35.382 37.275 25.401 246 1HB SER 24 1HB SER 24 33.890 35.342 26.817 247 2HB SER 24 2HB SER 24 35.357 35.571 27.779 248 HG SER 24 HG SER 24 34.235 37.242 28.481 249 H THR 25 H THR 25 36.237 34.326 26.720 250 HA THR 25 HA THR 25 39.077 34.467 26.121 251 HB THR 25 HB THR 25 38.437 35.322 28.592 252 HG1 THR 25 HG1 THR 25 40.465 33.775 27.567 253 1HG2 THR 25 1HG2 THR 25 36.992 33.378 28.988 254 2HG2 THR 25 2HG2 THR 25 38.396 32.314 28.777 255 3HG2 THR 25 3HG2 THR 25 38.330 33.434 30.145 256 HA PRO 26 HA PRO 26 37.056 30.740 24.899 257 1HB PRO 26 1HB PRO 26 39.262 29.573 23.711 258 2HB PRO 26 2HB PRO 26 38.256 30.821 22.952 259 1HG PRO 26 1HG PRO 26 40.958 31.086 24.206 260 2HG PRO 26 2HG PRO 26 40.235 32.024 22.886 261 1HD PRO 26 1HD PRO 26 40.420 32.893 25.557 262 2HD PRO 26 2HD PRO 26 39.316 33.561 24.338 263 H GLU 27 H GLU 27 39.377 31.048 27.276 264 HA GLU 27 HA GLU 27 39.906 28.221 27.770 265 1HB GLU 27 1HB GLU 27 41.691 29.417 28.547 266 2HB GLU 27 2HB GLU 27 40.718 30.871 28.778 267 1HG GLU 27 1HG GLU 27 41.468 30.065 30.936 268 2HG GLU 27 2HG GLU 27 39.726 29.849 30.800 269 H GLU 28 H GLU 28 37.410 30.424 28.356 270 HA GLU 28 HA GLU 28 36.346 28.730 30.569 271 1HB GLU 28 1HB GLU 28 35.606 30.595 31.698 272 2HB GLU 28 2HB GLU 28 36.800 31.457 30.729 273 1HG GLU 28 1HG GLU 28 35.105 31.925 29.018 274 2HG GLU 28 2HG GLU 28 33.915 31.010 29.938 275 H ILE 29 H ILE 29 35.870 30.566 27.747 276 HA ILE 29 HA ILE 29 33.338 30.052 26.829 277 HB ILE 29 HB ILE 29 35.892 30.837 25.981 278 1HG1 ILE 29 1HG1 ILE 29 34.035 31.881 24.273 279 2HG1 ILE 29 2HG1 ILE 29 33.071 31.508 25.702 280 1HG2 ILE 29 2HG2 ILE 29 34.275 28.982 24.299 281 2HG2 ILE 29 3HG2 ILE 29 35.411 30.117 23.592 282 3HG2 ILE 29 1HG2 ILE 29 35.981 28.908 24.736 283 1HD1 ILE 29 1HD1 ILE 29 34.871 32.544 27.082 284 2HD1 ILE 29 2HD1 ILE 29 35.574 33.135 25.579 285 3HD1 ILE 29 3HD1 ILE 29 33.965 33.672 26.068 286 H LYS 30 H LYS 30 36.260 28.272 26.769 287 HA LYS 30 HA LYS 30 35.786 26.095 25.131 288 1HB LYS 30 1HB LYS 30 37.646 25.229 26.191 289 2HB LYS 30 2HB LYS 30 37.689 26.815 26.931 290 1HG LYS 30 1HG LYS 30 36.287 25.972 28.795 291 2HG LYS 30 2HG LYS 30 36.393 24.352 28.114 292 1HD LYS 30 1HD LYS 30 38.791 26.036 28.884 293 2HD LYS 30 2HD LYS 30 38.092 24.781 29.908 294 1HE LYS 30 1HE LYS 30 38.384 23.456 27.520 295 2HE LYS 30 2HE LYS 30 39.790 24.520 27.514 296 1HZ LYS 30 3HZ LYS 30 39.036 22.792 29.805 297 2HZ LYS 30 1HZ LYS 30 40.160 22.341 28.615 298 3HZ LYS 30 2HZ LYS 30 40.474 23.676 29.614 299 H LYS 31 H LYS 31 34.627 26.779 28.257 300 HA LYS 31 HA LYS 31 32.901 24.323 28.227 301 1HB LYS 31 1HB LYS 31 33.787 26.001 30.607 302 2HB LYS 31 2HB LYS 31 32.792 24.547 30.681 303 1HG LYS 31 1HG LYS 31 34.844 23.515 29.325 304 2HG LYS 31 2HG LYS 31 35.713 24.817 30.134 305 1HD LYS 31 1HD LYS 31 35.689 23.709 32.085 306 2HD LYS 31 2HD LYS 31 33.938 23.509 31.996 307 1HE LYS 31 1HE LYS 31 34.097 21.388 31.196 308 2HE LYS 31 2HE LYS 31 35.455 21.788 30.142 309 1HZ LYS 31 1HZ LYS 31 36.504 22.032 32.624 310 2HZ LYS 31 2HZ LYS 31 35.459 20.710 32.805 311 3HZ LYS 31 3HZ LYS 31 36.673 20.675 31.616 312 H ARG 32 H ARG 32 32.115 26.521 26.745 313 HA ARG 32 HA ARG 32 29.999 27.785 28.446 314 1HB ARG 32 1HB ARG 32 31.809 28.849 26.387 315 2HB ARG 32 2HB ARG 32 30.121 29.295 26.146 316 1HG ARG 32 1HG ARG 32 30.881 31.014 27.552 317 2HG ARG 32 2HG ARG 32 30.178 29.879 28.705 318 1HD ARG 32 1HD ARG 32 32.796 28.987 28.300 319 2HD ARG 32 2HD ARG 32 32.953 30.733 28.435 320 HE ARG 32 HE ARG 32 32.660 29.170 30.677 321 1HH1 ARG 32 1HH2 ARG 32 31.239 31.940 29.288 322 2HH1 ARG 32 2HH2 ARG 32 30.161 32.239 30.611 323 1HH2 ARG 32 1HH1 ARG 32 30.993 29.332 32.299 324 2HH2 ARG 32 2HH1 ARG 32 30.024 30.767 32.311 325 H LYS 33 H LYS 33 30.404 25.383 26.363 326 HA LYS 33 HA LYS 33 28.925 24.186 24.958 327 1HB LYS 33 1HB LYS 33 27.291 24.645 26.801 328 2HB LYS 33 2HB LYS 33 26.876 26.167 26.014 329 1HG LYS 33 1HG LYS 33 26.473 24.639 23.912 330 2HG LYS 33 2HG LYS 33 26.316 23.358 25.116 331 1HD LYS 33 1HD LYS 33 24.109 24.199 24.808 332 2HD LYS 33 2HD LYS 33 24.670 24.904 26.325 333 1HE LYS 33 1HE LYS 33 25.555 26.741 24.474 334 2HE LYS 33 2HE LYS 33 24.018 26.224 23.780 335 1HZ LYS 33 1HZ LYS 33 24.311 27.016 26.620 336 2HZ LYS 33 2HZ LYS 33 23.907 28.122 25.396 337 3HZ LYS 33 3HZ LYS 33 22.877 26.815 25.738 338 H LYS 34 H LYS 34 29.933 24.863 23.076 339 HA LYS 34 HA LYS 34 28.563 27.072 21.645 340 1HB LYS 34 1HB LYS 34 31.268 26.722 20.731 341 2HB LYS 34 2HB LYS 34 30.528 28.163 21.428 342 1HG LYS 34 1HG LYS 34 30.857 26.923 23.711 343 2HG LYS 34 2HG LYS 34 32.028 25.952 22.819 344 1HD LYS 34 1HD LYS 34 33.468 27.609 23.397 345 2HD LYS 34 2HD LYS 34 32.737 28.466 22.040 346 1HE LYS 34 1HE LYS 34 31.029 28.795 24.310 347 2HE LYS 34 2HE LYS 34 32.676 29.187 24.812 348 1HZ LYS 34 3HZ LYS 34 32.370 30.302 22.312 349 2HZ LYS 34 1HZ LYS 34 30.916 30.646 23.121 350 3HZ LYS 34 2HZ LYS 34 32.400 31.123 23.793 351 H ALA 35 H ALA 35 30.633 24.154 21.310 352 HA ALA 35 HA ALA 35 29.863 23.704 18.585 353 1HB ALA 35 3HB ALA 35 31.498 22.398 20.664 354 2HB ALA 35 1HB ALA 35 30.691 21.283 19.561 355 3HB ALA 35 2HB ALA 35 31.784 22.523 18.932 356 H VAL 36 H VAL 36 28.279 22.199 18.027 357 HA VAL 36 HA VAL 36 26.660 20.968 20.104 358 HB VAL 36 HB VAL 36 24.729 22.480 19.226 359 1HG1 VAL 36 3HG1 VAL 36 26.093 22.336 21.566 360 2HG1 VAL 36 1HG1 VAL 36 26.430 24.002 21.099 361 3HG1 VAL 36 2HG1 VAL 36 24.762 23.459 21.290 362 1HG2 VAL 36 1HG2 VAL 36 27.216 24.120 18.748 363 2HG2 VAL 36 2HG2 VAL 36 25.982 23.698 17.562 364 3HG2 VAL 36 3HG2 VAL 36 25.609 24.821 18.879 365 H ILE 37 H ILE 37 24.657 20.114 19.324 366 HA ILE 37 HA ILE 37 24.527 19.680 16.400 367 HB ILE 37 HB ILE 37 24.301 17.827 18.729 368 1HG1 ILE 37 1HG1 ILE 37 24.955 16.543 16.258 369 2HG1 ILE 37 2HG1 ILE 37 25.874 18.041 16.326 370 1HG2 ILE 37 3HG2 ILE 37 22.605 17.827 16.233 371 2HG2 ILE 37 1HG2 ILE 37 22.851 16.378 17.223 372 3HG2 ILE 37 2HG2 ILE 37 22.083 17.797 17.920 373 1HD1 ILE 37 2HD1 ILE 37 25.870 16.776 18.903 374 2HD1 ILE 37 3HD1 ILE 37 26.433 15.612 17.708 375 3HD1 ILE 37 1HD1 ILE 37 27.249 17.169 17.891 376 H PHE 38 H PHE 38 22.144 19.398 15.737 377 HA PHE 38 HA PHE 38 20.270 20.280 17.817 378 1HB PHE 38 1HB PHE 38 21.057 21.830 15.372 379 2HB PHE 38 2HB PHE 38 19.388 21.943 15.932 380 HD1 PHE 38 HD2 PHE 38 22.959 22.309 17.133 381 HD2 PHE 38 HD1 PHE 38 18.828 23.326 17.715 382 HE1 PHE 38 HE2 PHE 38 23.594 23.899 18.916 383 HE2 PHE 38 HE1 PHE 38 19.468 24.927 19.488 384 HZ PHE 38 HZ PHE 38 21.854 25.207 20.096 385 H CYS 39 H CYS 39 18.118 19.269 17.489 386 HA CYS 39 HA CYS 39 17.687 18.136 14.757 387 1HB CYS 39 1HB CYS 39 17.247 15.905 15.580 388 2HB CYS 39 2HB CYS 39 18.842 16.414 16.131 389 HG CYS 39 HG CYS 39 16.478 15.787 17.937 390 H LEU 40 H LEU 40 15.997 19.943 14.917 391 HA LEU 40 HA LEU 40 13.806 20.642 15.195 392 1HB LEU 40 1HB LEU 40 13.745 17.741 14.566 393 2HB LEU 40 2HB LEU 40 12.238 18.605 14.835 394 HG LEU 40 HG LEU 40 12.571 20.057 13.070 395 1HD1 LEU 40 1HD1 LEU 40 15.499 19.358 13.162 396 2HD1 LEU 40 2HD1 LEU 40 14.756 20.495 12.036 397 3HD1 LEU 40 3HD1 LEU 40 14.760 20.845 13.770 398 1HD2 LEU 40 3HD2 LEU 40 13.431 17.290 12.510 399 2HD2 LEU 40 1HD2 LEU 40 12.208 18.268 11.691 400 3HD2 LEU 40 2HD2 LEU 40 13.914 18.463 11.286 401 H SER 41 H SER 41 12.513 21.302 16.732 402 HA SER 41 HA SER 41 12.795 20.841 19.425 403 1HB SER 41 1HB SER 41 11.016 22.283 17.745 404 2HB SER 41 2HB SER 41 10.059 21.464 18.977 405 HG SER 41 HG SER 41 10.754 23.385 19.843 406 H ALA 42 H ALA 42 10.333 20.279 20.572 407 HA ALA 42 HA ALA 42 10.319 17.392 20.623 408 1HB ALA 42 2HB ALA 42 9.526 19.179 22.424 409 2HB ALA 42 3HB ALA 42 7.974 18.981 21.611 410 3HB ALA 42 1HB ALA 42 8.769 17.588 22.346 411 H ASP 43 H ASP 43 9.057 15.984 19.450 412 HA ASP 43 HA ASP 43 7.350 15.257 17.981 413 1HB ASP 43 1HB ASP 43 5.994 17.154 19.155 414 2HB ASP 43 2HB ASP 43 6.374 18.096 17.714 415 H LYS 44 H LYS 44 9.750 17.519 17.483 416 HA LYS 44 HA LYS 44 11.061 17.915 15.639 417 1HB LYS 44 1HB LYS 44 9.521 15.645 14.841 418 2HB LYS 44 2HB LYS 44 9.607 16.762 13.480 419 1HG LYS 44 1HG LYS 44 11.518 15.146 13.537 420 2HG LYS 44 2HG LYS 44 12.032 16.829 13.619 421 1HD LYS 44 1HD LYS 44 13.292 15.956 15.352 422 2HD LYS 44 2HD LYS 44 11.834 16.391 16.241 423 1HE LYS 44 1HE LYS 44 11.422 13.802 15.118 424 2HE LYS 44 2HE LYS 44 12.994 13.800 15.919 425 1HZ LYS 44 2HZ LYS 44 11.390 15.163 17.638 426 2HZ LYS 44 3HZ LYS 44 10.369 13.941 17.055 427 3HZ LYS 44 1HZ LYS 44 11.846 13.533 17.788 428 H LYS 45 H LYS 45 11.023 19.951 15.093 429 HA LYS 45 HA LYS 45 8.978 21.007 13.287 430 1HB LYS 45 1HB LYS 45 9.108 21.518 16.203 431 2HB LYS 45 2HB LYS 45 8.757 22.898 15.129 432 1HG LYS 45 1HG LYS 45 6.976 21.397 14.063 433 2HG LYS 45 2HG LYS 45 7.230 20.301 15.422 434 1HD LYS 45 1HD LYS 45 6.712 23.209 15.963 435 2HD LYS 45 2HD LYS 45 5.356 22.147 15.577 436 1HE LYS 45 1HE LYS 45 5.366 21.378 17.692 437 2HE LYS 45 2HE LYS 45 7.008 20.780 17.457 438 1HZ LYS 45 1HZ LYS 45 7.770 23.096 17.942 439 2HZ LYS 45 2HZ LYS 45 6.179 23.459 18.416 440 3HZ LYS 45 3HZ LYS 45 7.067 22.285 19.259 441 H CYS 46 H CYS 46 10.813 22.614 15.784 442 HA CYS 46 HA CYS 46 12.144 24.484 13.907 443 1HB CYS 46 1HB CYS 46 12.203 24.113 16.935 444 2HB CYS 46 2HB CYS 46 12.942 25.452 16.064 445 HG CYS 46 HG CYS 46 10.728 26.573 16.174 446 H ILE 47 H ILE 47 14.352 24.408 13.500 447 HA ILE 47 HA ILE 47 15.948 22.153 13.997 448 HB ILE 47 HB ILE 47 16.301 24.673 12.908 449 1HG1 ILE 47 1HG1 ILE 47 18.815 23.776 12.877 450 2HG1 ILE 47 2HG1 ILE 47 18.025 22.307 13.452 451 1HG2 ILE 47 1HG2 ILE 47 16.679 25.439 15.240 452 2HG2 ILE 47 2HG2 ILE 47 18.112 24.404 15.296 453 3HG2 ILE 47 3HG2 ILE 47 18.030 25.739 14.142 454 1HD1 ILE 47 2HD1 ILE 47 16.289 22.982 11.519 455 2HD1 ILE 47 3HD1 ILE 47 17.755 23.703 10.841 456 3HD1 ILE 47 1HD1 ILE 47 17.721 21.965 11.215 457 H ILE 48 H ILE 48 16.823 21.471 16.021 458 HA ILE 48 HA ILE 48 16.468 23.358 18.303 459 HB ILE 48 HB ILE 48 14.568 21.595 17.592 460 1HG1 ILE 48 1HG1 ILE 48 15.256 23.121 19.894 461 2HG1 ILE 48 2HG1 ILE 48 13.656 22.525 19.439 462 1HG2 ILE 48 2HG2 ILE 48 16.092 19.668 17.884 463 2HG2 ILE 48 3HG2 ILE 48 16.323 20.107 19.571 464 3HG2 ILE 48 1HG2 ILE 48 14.740 19.603 19.008 465 1HD1 ILE 48 3HD1 ILE 48 15.740 20.904 20.926 466 2HD1 ILE 48 1HD1 ILE 48 14.360 21.701 21.687 467 3HD1 ILE 48 2HD1 ILE 48 14.101 20.390 20.535 468 H VAL 49 H VAL 49 17.103 22.016 20.389 469 HA VAL 49 HA VAL 49 19.428 20.278 19.726 470 HB VAL 49 HB VAL 49 20.332 22.515 20.243 471 1HG1 VAL 49 3HG1 VAL 49 18.275 22.651 22.073 472 2HG1 VAL 49 1HG1 VAL 49 19.683 22.371 23.099 473 3HG1 VAL 49 2HG1 VAL 49 19.647 23.758 22.009 474 1HG2 VAL 49 3HG2 VAL 49 20.802 20.330 22.284 475 2HG2 VAL 49 1HG2 VAL 49 21.697 20.600 20.788 476 3HG2 VAL 49 2HG2 VAL 49 21.836 21.749 22.120 477 H GLU 50 H GLU 50 18.661 18.356 20.559 478 HA GLU 50 HA GLU 50 18.311 18.162 23.446 479 1HB GLU 50 1HB GLU 50 15.958 18.078 21.596 480 2HB GLU 50 2HB GLU 50 15.978 16.980 22.976 481 1HG GLU 50 1HG GLU 50 16.722 19.235 24.237 482 2HG GLU 50 2HG GLU 50 15.793 19.955 22.922 483 H GLU 51 H GLU 51 20.164 16.991 21.775 484 HA GLU 51 HA GLU 51 19.257 14.153 21.641 485 1HB GLU 51 1HB GLU 51 21.758 15.012 20.322 486 2HB GLU 51 2HB GLU 51 20.555 13.847 19.768 487 1HG GLU 51 1HG GLU 51 19.065 16.070 19.650 488 2HG GLU 51 2HG GLU 51 20.653 16.800 19.413 489 H GLY 52 H GLY 52 20.929 16.218 23.490 490 1HA GLY 52 1HA GLY 52 22.450 15.907 25.252 491 2HA GLY 52 2HA GLY 52 22.235 14.168 25.026 492 H LYS 53 H LYS 53 23.197 16.172 22.321 493 HA LYS 53 HA LYS 53 25.843 14.835 22.388 494 1HB LYS 53 1HB LYS 53 24.297 16.168 20.118 495 2HB LYS 53 2HB LYS 53 25.816 15.296 19.943 496 1HG LYS 53 1HG LYS 53 24.795 13.210 20.636 497 2HG LYS 53 2HG LYS 53 23.311 14.033 21.102 498 1HD LYS 53 1HD LYS 53 23.629 12.775 18.691 499 2HD LYS 53 2HD LYS 53 22.536 14.129 18.923 500 1HE LYS 53 1HE LYS 53 24.252 15.668 18.210 501 2HE LYS 53 2HE LYS 53 25.402 14.334 18.062 502 1HZ LYS 53 1HZ LYS 53 23.795 13.295 16.488 503 2HZ LYS 53 2HZ LYS 53 22.904 14.728 16.509 504 3HZ LYS 53 3HZ LYS 53 24.493 14.728 15.911 505 H GLU 54 H GLU 54 26.529 17.120 20.385 506 HA GLU 54 HA GLU 54 27.284 19.336 20.382 507 1HB GLU 54 1HB GLU 54 25.693 20.499 21.513 508 2HB GLU 54 2HB GLU 54 25.597 19.332 22.811 509 1HG GLU 54 1HG GLU 54 28.083 21.023 22.589 510 2HG GLU 54 2HG GLU 54 26.610 21.728 23.255 511 H ILE 55 H ILE 55 29.223 20.286 20.808 512 HA ILE 55 HA ILE 55 30.894 19.135 22.990 513 HB ILE 55 HB ILE 55 31.405 19.555 20.148 514 1HG1 ILE 55 1HG1 ILE 55 32.982 18.145 22.254 515 2HG1 ILE 55 2HG1 ILE 55 31.533 17.433 21.506 516 1HG2 ILE 55 3HG2 ILE 55 33.246 20.641 22.254 517 2HG2 ILE 55 1HG2 ILE 55 33.894 19.876 20.806 518 3HG2 ILE 55 2HG2 ILE 55 32.881 21.305 20.663 519 1HD1 ILE 55 2HD1 ILE 55 32.982 18.600 19.461 520 2HD1 ILE 55 3HD1 ILE 55 34.170 17.731 20.435 521 3HD1 ILE 55 1HD1 ILE 55 32.783 16.887 19.765 522 H LEU 56 H LEU 56 32.356 20.950 23.873 523 HA LEU 56 HA LEU 56 31.007 23.546 23.345 524 1HB LEU 56 1HB LEU 56 32.313 23.840 25.815 525 2HB LEU 56 2HB LEU 56 30.591 23.793 25.513 526 HG LEU 56 HG LEU 56 31.118 22.156 27.188 527 1HD1 LEU 56 3HD1 LEU 56 29.847 21.571 24.756 528 2HD1 LEU 56 1HD1 LEU 56 30.845 20.158 25.119 529 3HD1 LEU 56 2HD1 LEU 56 29.656 20.722 26.293 530 1HD2 LEU 56 1HD2 LEU 56 33.331 21.540 25.300 531 2HD2 LEU 56 2HD2 LEU 56 33.327 21.590 27.063 532 3HD2 LEU 56 3HD2 LEU 56 32.657 20.191 26.217 533 H VAL 57 H VAL 57 33.507 22.401 22.048 534 HA VAL 57 HA VAL 57 35.484 23.413 21.273 535 HB VAL 57 HB VAL 57 34.002 25.663 22.551 536 1HG1 VAL 57 1HG1 VAL 57 36.960 25.604 22.251 537 2HG1 VAL 57 2HG1 VAL 57 36.136 27.047 21.672 538 3HG1 VAL 57 3HG1 VAL 57 35.963 26.554 23.363 539 1HG2 VAL 57 2HG2 VAL 57 34.881 24.742 19.893 540 2HG2 VAL 57 3HG2 VAL 57 33.413 25.614 20.355 541 3HG2 VAL 57 1HG2 VAL 57 34.934 26.489 20.130 542 H GLY 58 H GLY 58 34.855 23.330 24.732 543 1HA GLY 58 1HA GLY 58 37.729 23.697 25.284 544 2HA GLY 58 2HA GLY 58 36.449 23.642 26.494 545 H ASP 59 H ASP 59 35.104 21.329 25.836 546 HA ASP 59 HA ASP 59 36.516 19.274 27.054 547 1HB ASP 59 1HB ASP 59 34.338 19.316 25.007 548 2HB ASP 59 2HB ASP 59 35.173 17.781 25.269 549 H VAL 60 H VAL 60 36.648 20.399 23.723 550 HA VAL 60 HA VAL 60 38.183 18.491 22.436 551 HB VAL 60 HB VAL 60 38.644 21.495 22.393 552 1HG1 VAL 60 2HG1 VAL 60 39.397 19.223 20.552 553 2HG1 VAL 60 3HG1 VAL 60 39.281 20.885 19.972 554 3HG1 VAL 60 1HG1 VAL 60 40.442 20.470 21.234 555 1HG2 VAL 60 1HG2 VAL 60 36.674 19.679 20.993 556 2HG2 VAL 60 2HG2 VAL 60 36.342 21.138 21.926 557 3HG2 VAL 60 3HG2 VAL 60 37.107 21.260 20.342 558 H GLY 61 H GLY 61 39.620 17.381 23.743 559 1HA GLY 61 1HA GLY 61 42.115 17.405 24.127 560 2HA GLY 61 2HA GLY 61 41.875 18.961 24.924 561 H VAL 62 H VAL 62 39.369 16.763 25.413 562 HA VAL 62 HA VAL 62 40.448 15.798 28.016 563 HB VAL 62 HB VAL 62 37.703 16.956 27.390 564 1HG1 VAL 62 1HG1 VAL 62 38.715 15.276 29.657 565 2HG1 VAL 62 2HG1 VAL 62 37.475 16.493 29.963 566 3HG1 VAL 62 3HG1 VAL 62 37.172 15.196 28.805 567 1HG2 VAL 62 2HG2 VAL 62 39.762 18.429 27.948 568 2HG2 VAL 62 3HG2 VAL 62 38.264 18.715 28.835 569 3HG2 VAL 62 1HG2 VAL 62 39.574 17.803 29.588 570 H THR 63 H THR 63 37.202 15.304 26.789 571 HA THR 63 HA THR 63 37.680 12.445 26.465 572 HB THR 63 HB THR 63 35.331 14.256 25.830 573 HG1 THR 63 HG1 THR 63 34.455 12.805 27.537 574 1HG2 THR 63 2HG2 THR 63 35.556 11.251 25.590 575 2HG2 THR 63 3HG2 THR 63 34.076 12.185 25.378 576 3HG2 THR 63 1HG2 THR 63 35.417 12.385 24.249 577 H ILE 64 H ILE 64 38.246 15.307 24.781 578 HA ILE 64 HA ILE 64 38.483 13.852 22.187 579 HB ILE 64 HB ILE 64 38.157 16.493 21.485 580 1HG1 ILE 64 1HG1 ILE 64 36.492 15.882 23.940 581 2HG1 ILE 64 2HG1 ILE 64 37.448 17.322 23.604 582 1HG2 ILE 64 1HG2 ILE 64 37.050 14.206 20.767 583 2HG2 ILE 64 2HG2 ILE 64 35.766 14.738 21.863 584 3HG2 ILE 64 3HG2 ILE 64 36.203 15.730 20.469 585 1HD1 ILE 64 3HD1 ILE 64 35.728 17.242 21.452 586 2HD1 ILE 64 1HD1 ILE 64 34.710 16.645 22.764 587 3HD1 ILE 64 2HD1 ILE 64 35.478 18.230 22.897 588 H THR 65 H THR 65 39.991 15.521 20.717 589 HA THR 65 HA THR 65 42.160 16.634 22.404 590 HB THR 65 HB THR 65 43.826 15.161 21.722 591 HG1 THR 65 HG1 THR 65 43.655 13.950 19.832 592 1HG2 THR 65 3HG2 THR 65 41.999 14.013 23.061 593 2HG2 THR 65 1HG2 THR 65 41.399 13.361 21.538 594 3HG2 THR 65 2HG2 THR 65 43.013 12.932 22.105 595 H ASP 66 H ASP 66 40.182 17.552 20.285 596 HA ASP 66 HA ASP 66 40.468 19.508 18.952 597 1HB ASP 66 1HB ASP 66 42.941 19.319 19.790 598 2HB ASP 66 2HB ASP 66 43.221 18.724 18.150 599 HA PRO 67 HA PRO 67 40.842 16.771 15.098 600 1HB PRO 67 1HB PRO 67 39.710 14.285 15.429 601 2HB PRO 67 2HB PRO 67 41.419 14.592 15.719 602 1HG PRO 67 1HG PRO 67 39.239 14.162 17.698 603 2HG PRO 67 2HG PRO 67 40.974 13.833 17.842 604 1HD PRO 67 1HD PRO 67 39.590 16.082 18.898 605 2HD PRO 67 2HD PRO 67 41.342 15.843 18.803 606 H PHE 68 H PHE 68 38.348 14.882 14.917 607 HA PHE 68 HA PHE 68 36.130 16.732 15.526 608 1HB PHE 68 1HB PHE 68 35.476 17.134 13.346 609 2HB PHE 68 2HB PHE 68 37.222 17.005 13.081 610 HD1 PHE 68 HD1 PHE 68 38.220 14.766 12.567 611 HD2 PHE 68 HD2 PHE 68 33.998 15.505 12.419 612 HE1 PHE 68 HE1 PHE 68 37.898 12.684 11.287 613 HE2 PHE 68 HE2 PHE 68 33.687 13.413 11.122 614 HZ PHE 68 HZ PHE 68 35.632 11.995 10.591 615 H LYS 69 H LYS 69 37.315 13.598 14.393 616 HA LYS 69 HA LYS 69 34.884 12.212 14.074 617 1HB LYS 69 1HB LYS 69 36.181 10.409 13.723 618 2HB LYS 69 2HB LYS 69 37.488 11.590 13.743 619 1HG LYS 69 1HG LYS 69 36.560 10.337 16.298 620 2HG LYS 69 2HG LYS 69 37.662 9.474 15.244 621 1HD LYS 69 1HD LYS 69 39.328 11.145 15.415 622 2HD LYS 69 2HD LYS 69 38.197 12.312 16.099 623 1HE LYS 69 1HE LYS 69 38.655 11.597 18.182 624 2HE LYS 69 2HE LYS 69 38.236 9.943 17.737 625 1HZ LYS 69 3HZ LYS 69 40.810 10.979 16.820 626 2HZ LYS 69 1HZ LYS 69 40.660 10.610 18.472 627 3HZ LYS 69 2HZ LYS 69 40.383 9.410 17.302 628 H HIS 70 H HIS 70 35.705 13.688 16.943 629 HA HIS 70 HA HIS 70 34.543 11.511 18.582 630 1HB HIS 70 1HB HIS 70 35.902 12.467 20.115 631 2HB HIS 70 2HB HIS 70 36.044 13.963 19.174 632 HD1 HIS 70 HD1 HIS 70 33.556 12.186 21.437 633 HD2 HIS 70 HD2 HIS 70 34.342 15.967 19.920 634 HE1 HIS 70 HE1 HIS 70 31.923 13.770 22.539 635 H PHE 71 H PHE 71 33.992 14.907 17.679 636 HA PHE 71 HA PHE 71 31.429 15.177 18.821 637 1HB PHE 71 1HB PHE 71 32.343 17.248 18.162 638 2HB PHE 71 2HB PHE 71 33.015 16.577 16.684 639 HD1 PHE 71 HD1 PHE 71 31.433 16.023 14.775 640 HD2 PHE 71 HD2 PHE 71 30.271 18.350 18.190 641 HE1 PHE 71 HE1 PHE 71 29.509 16.935 13.500 642 HE2 PHE 71 HE2 PHE 71 28.343 19.249 16.929 643 HZ PHE 71 HZ PHE 71 27.962 18.549 14.577 644 H VAL 72 H VAL 72 32.570 13.770 15.793 645 HA VAL 72 HA VAL 72 30.020 13.455 14.518 646 HB VAL 72 HB VAL 72 31.171 11.913 13.115 647 1HG1 VAL 72 1HG1 VAL 72 32.315 14.406 13.863 648 2HG1 VAL 72 2HG1 VAL 72 33.609 13.287 13.452 649 3HG1 VAL 72 3HG1 VAL 72 32.334 13.621 12.288 650 1HG2 VAL 72 2HG2 VAL 72 32.979 11.635 15.455 651 2HG2 VAL 72 3HG2 VAL 72 32.082 10.371 14.624 652 3HG2 VAL 72 1HG2 VAL 72 33.482 11.110 13.851 653 H GLY 73 H GLY 73 31.848 11.783 16.893 654 1HA GLY 73 1HA GLY 73 30.319 9.364 17.089 655 2HA GLY 73 2HA GLY 73 31.317 10.042 18.385 656 H MET 74 H MET 74 30.022 12.639 18.422 657 HA MET 74 HA MET 74 27.804 12.119 20.183 658 1HB MET 74 1HB MET 74 28.606 14.625 18.698 659 2HB MET 74 2HB MET 74 27.373 14.549 19.951 660 1HG MET 74 1HG MET 74 29.145 13.527 21.467 661 2HG MET 74 2HG MET 74 30.324 14.007 20.247 662 1HE MET 74 3HE MET 74 29.728 16.144 18.985 663 2HE MET 74 1HE MET 74 29.792 17.704 19.828 664 3HE MET 74 2HE MET 74 31.160 16.586 19.913 665 H LEU 75 H LEU 75 28.241 12.303 16.838 666 HA LEU 75 HA LEU 75 25.396 12.602 16.223 667 1HB LEU 75 1HB LEU 75 27.527 11.842 14.242 668 2HB LEU 75 2HB LEU 75 26.091 12.816 13.993 669 HG LEU 75 HG LEU 75 28.519 13.616 15.569 670 1HD1 LEU 75 1HD1 LEU 75 28.637 13.607 13.039 671 2HD1 LEU 75 2HD1 LEU 75 27.320 14.775 13.036 672 3HD1 LEU 75 3HD1 LEU 75 28.869 15.195 13.769 673 1HD2 LEU 75 2HD2 LEU 75 26.283 14.371 16.455 674 2HD2 LEU 75 3HD2 LEU 75 27.358 15.686 15.981 675 3HD2 LEU 75 1HD2 LEU 75 26.029 15.200 14.933 676 HA PRO 76 HA PRO 76 25.472 8.017 16.259 677 1HB PRO 76 1HB PRO 76 22.771 7.713 16.695 678 2HB PRO 76 2HB PRO 76 23.933 8.004 17.995 679 1HG PRO 76 1HG PRO 76 21.938 9.870 16.821 680 2HG PRO 76 2HG PRO 76 22.695 9.898 18.423 681 1HD PRO 76 1HD PRO 76 23.394 11.511 16.184 682 2HD PRO 76 2HD PRO 76 24.278 11.379 17.714 683 H GLU 77 H GLU 77 22.966 6.867 15.119 684 HA GLU 77 HA GLU 77 23.232 7.924 12.331 685 1HB GLU 77 1HB GLU 77 22.342 5.123 13.026 686 2HB GLU 77 2HB GLU 77 22.987 5.724 11.497 687 1HG GLU 77 1HG GLU 77 25.171 6.134 12.599 688 2HG GLU 77 2HG GLU 77 24.521 5.453 14.094 689 H LYS 78 H LYS 78 21.174 7.227 14.962 690 HA LYS 78 HA LYS 78 18.692 7.342 13.376 691 1HB LYS 78 1HB LYS 78 17.595 6.653 15.329 692 2HB LYS 78 2HB LYS 78 19.160 5.854 15.456 693 1HG LYS 78 1HG LYS 78 18.628 8.559 16.695 694 2HG LYS 78 2HG LYS 78 18.332 7.062 17.556 695 1HD LYS 78 1HD LYS 78 20.974 8.100 16.505 696 2HD LYS 78 2HD LYS 78 20.527 7.788 18.179 697 1HE LYS 78 1HE LYS 78 20.961 5.738 15.993 698 2HE LYS 78 2HE LYS 78 21.869 5.924 17.493 699 1HZ LYS 78 3HZ LYS 78 19.630 5.538 18.619 700 2HZ LYS 78 1HZ LYS 78 19.114 4.937 17.116 701 3HZ LYS 78 2HZ LYS 78 20.406 4.194 17.926 702 H ASP 79 H ASP 79 20.604 9.728 13.746 703 HA ASP 79 HA ASP 79 18.505 11.574 14.742 704 1HB ASP 79 1HB ASP 79 21.373 11.342 15.569 705 2HB ASP 79 2HB ASP 79 20.623 12.937 15.552 706 H CYS 80 H CYS 80 17.933 12.611 12.939 707 HA CYS 80 HA CYS 80 19.888 13.454 10.911 708 1HB CYS 80 1HB CYS 80 17.006 13.020 11.059 709 2HB CYS 80 2HB CYS 80 17.361 14.636 10.462 710 HG CYS 80 HG CYS 80 17.334 12.756 8.506 711 H ARG 81 H ARG 81 21.010 15.265 11.657 712 HA ARG 81 HA ARG 81 19.376 17.409 12.896 713 1HB ARG 81 1HB ARG 81 21.143 17.524 14.720 714 2HB ARG 81 2HB ARG 81 20.086 16.112 14.768 715 1HG ARG 81 1HG ARG 81 21.927 14.822 14.676 716 2HG ARG 81 2HG ARG 81 22.203 15.436 13.051 717 1HD ARG 81 1HD ARG 81 23.107 17.529 14.519 718 2HD ARG 81 2HD ARG 81 23.477 16.191 15.577 719 HE ARG 81 HE ARG 81 24.757 15.229 13.603 720 1HH1 ARG 81 1HH1 ARG 81 23.669 18.188 12.650 721 2HH1 ARG 81 2HH1 ARG 81 25.219 18.896 12.370 722 1HH2 ARG 81 1HH2 ARG 81 26.966 16.336 13.887 723 2HH2 ARG 81 2HH2 ARG 81 27.095 17.835 13.069 724 H TYR 82 H TYR 82 20.529 19.387 13.230 725 HA TYR 82 HA TYR 82 22.724 19.874 11.285 726 1HB TYR 82 1HB TYR 82 20.459 21.572 12.316 727 2HB TYR 82 2HB TYR 82 21.852 22.273 11.504 728 HD1 TYR 82 HD2 TYR 82 21.902 19.258 10.024 729 HD2 TYR 82 HD1 TYR 82 19.287 22.673 10.179 730 HE1 TYR 82 HE2 TYR 82 20.973 18.636 7.840 731 HE2 TYR 82 HE1 TYR 82 18.343 22.021 7.970 732 HH TYR 82 HH TYR 82 18.174 20.132 6.567 733 H ALA 83 H ALA 83 24.666 20.608 12.156 734 HA ALA 83 HA ALA 83 24.596 21.328 15.034 735 1HB ALA 83 3HB ALA 83 25.087 18.949 14.814 736 2HB ALA 83 1HB ALA 83 26.409 19.326 13.721 737 3HB ALA 83 2HB ALA 83 26.508 19.816 15.401 738 H LEU 84 H LEU 84 26.044 22.820 15.657 739 HA LEU 84 HA LEU 84 28.185 23.680 13.805 740 1HB LEU 84 1HB LEU 84 26.931 25.372 15.904 741 2HB LEU 84 2HB LEU 84 28.128 25.874 14.723 742 HG LEU 84 HG LEU 84 25.349 24.884 14.077 743 1HD1 LEU 84 2HD1 LEU 84 26.531 27.448 14.690 744 2HD1 LEU 84 3HD1 LEU 84 25.791 27.452 13.089 745 3HD1 LEU 84 1HD1 LEU 84 24.835 27.031 14.511 746 1HD2 LEU 84 1HD2 LEU 84 27.560 24.566 12.543 747 2HD2 LEU 84 2HD2 LEU 84 25.970 24.890 11.880 748 3HD2 LEU 84 3HD2 LEU 84 27.112 26.207 12.083 749 H TYR 85 H TYR 85 29.946 22.871 14.378 750 HA TYR 85 HA TYR 85 30.624 22.816 17.283 751 1HB TYR 85 1HB TYR 85 30.631 20.569 16.673 752 2HB TYR 85 2HB TYR 85 31.150 20.917 15.021 753 HD1 TYR 85 HD2 TYR 85 32.214 20.823 18.547 754 HD2 TYR 85 HD1 TYR 85 33.455 21.134 14.439 755 HE1 TYR 85 HE2 TYR 85 34.580 20.537 19.257 756 HE2 TYR 85 HE1 TYR 85 35.823 20.779 15.135 757 HH TYR 85 HH TYR 85 36.727 20.634 18.566 758 H ASP 86 H ASP 86 31.905 24.587 17.572 759 HA ASP 86 HA ASP 86 33.373 26.040 15.723 760 1HB ASP 86 1HB ASP 86 33.276 25.952 18.497 761 2HB ASP 86 2HB ASP 86 34.962 25.574 18.141 762 H ALA 87 H ALA 87 34.369 24.878 14.075 763 HA ALA 87 HA ALA 87 36.005 22.534 14.636 764 1HB ALA 87 3HB ALA 87 34.805 23.562 12.363 765 2HB ALA 87 1HB ALA 87 36.522 23.850 12.077 766 3HB ALA 87 2HB ALA 87 35.943 22.215 12.403 767 H SER 88 H SER 88 37.850 22.897 15.802 768 HA SER 88 HA SER 88 39.417 25.332 15.329 769 1HB SER 88 1HB SER 88 39.784 22.946 17.134 770 2HB SER 88 2HB SER 88 41.022 24.182 16.948 771 HG SER 88 HG SER 88 39.573 24.611 18.692 772 H PHE 89 H PHE 89 40.103 25.125 13.206 773 HA PHE 89 HA PHE 89 42.264 23.119 12.768 774 1HB PHE 89 1HB PHE 89 41.471 22.692 10.506 775 2HB PHE 89 2HB PHE 89 40.165 22.343 11.644 776 HD1 PHE 89 HD1 PHE 89 38.360 23.981 12.012 777 HD2 PHE 89 HD2 PHE 89 41.317 24.553 8.952 778 HE1 PHE 89 HE1 PHE 89 36.910 25.683 10.928 779 HE2 PHE 89 HE2 PHE 89 39.871 26.247 7.868 780 HZ PHE 89 HZ PHE 89 37.668 26.815 8.856 781 H GLU 90 H GLU 90 43.826 23.836 11.131 782 HA GLU 90 HA GLU 90 43.885 26.792 10.941 783 1HB GLU 90 1HB GLU 90 45.978 24.715 10.268 784 2HB GLU 90 2HB GLU 90 46.184 26.463 10.054 785 1HG GLU 90 1HG GLU 90 46.842 26.550 12.209 786 2HG GLU 90 2HG GLU 90 45.158 26.209 12.622 787 H THR 91 H THR 91 44.531 27.683 8.823 788 HA THR 91 HA THR 91 43.722 26.060 6.520 789 HB THR 91 HB THR 91 41.574 26.846 7.007 790 HG1 THR 91 HG1 THR 91 41.163 28.655 5.737 791 1HG2 THR 91 3HG2 THR 91 42.432 28.039 9.047 792 2HG2 THR 91 1HG2 THR 91 42.759 29.450 8.020 793 3HG2 THR 91 2HG2 THR 91 41.108 28.859 8.229 794 H LYS 92 H LYS 92 43.665 28.099 4.517 795 HA LYS 92 HA LYS 92 46.356 29.048 4.439 796 1HB LYS 92 1HB LYS 92 43.858 30.236 3.158 797 2HB LYS 92 2HB LYS 92 45.517 30.638 2.712 798 1HG LYS 92 1HG LYS 92 44.559 27.785 2.638 799 2HG LYS 92 2HG LYS 92 44.251 28.870 1.284 800 1HD LYS 92 1HD LYS 92 47.026 28.829 2.355 801 2HD LYS 92 2HD LYS 92 46.500 27.404 1.458 802 1HE LYS 92 1HE LYS 92 45.674 29.028 -0.343 803 2HE LYS 92 2HE LYS 92 46.596 30.270 0.503 804 1HZ LYS 92 3HZ LYS 92 48.364 28.246 0.326 805 2HZ LYS 92 1HZ LYS 92 47.521 28.092 -1.137 806 3HZ LYS 92 2HZ LYS 92 48.282 29.560 -0.747 807 H GLU 93 H GLU 93 43.449 29.952 6.059 808 HA GLU 93 HA GLU 93 44.324 32.610 6.856 809 1HB GLU 93 1HB GLU 93 42.136 31.180 8.279 810 2HB GLU 93 2HB GLU 93 42.219 32.863 7.759 811 1HG GLU 93 1HG GLU 93 42.072 31.989 5.363 812 2HG GLU 93 2HG GLU 93 41.641 30.428 6.063 813 H SER 94 H SER 94 44.406 29.369 8.074 814 HA SER 94 HA SER 94 45.968 28.536 9.655 815 1HB SER 94 1HB SER 94 45.836 31.239 10.917 816 2HB SER 94 2HB SER 94 46.998 29.957 11.237 817 HG SER 94 HG SER 94 47.159 30.344 8.690 818 H ARG 95 H ARG 95 45.813 28.238 12.096 819 HA ARG 95 HA ARG 95 43.391 27.271 12.945 820 1HB ARG 95 1HB ARG 95 45.418 26.950 14.246 821 2HB ARG 95 2HB ARG 95 45.473 28.666 14.624 822 1HG ARG 95 1HG ARG 95 44.504 27.336 16.482 823 2HG ARG 95 2HG ARG 95 43.353 28.499 15.819 824 1HD ARG 95 1HD ARG 95 42.261 26.791 14.520 825 2HD ARG 95 2HD ARG 95 43.504 25.611 14.936 826 HE ARG 95 HE ARG 95 41.220 25.963 16.471 827 1HH1 ARG 95 1HH2 ARG 95 43.024 27.934 17.950 828 2HH1 ARG 95 2HH2 ARG 95 43.689 26.918 19.186 829 1HH2 ARG 95 1HH1 ARG 95 42.770 23.962 17.618 830 2HH2 ARG 95 2HH1 ARG 95 43.545 24.668 18.999 831 H LYS 96 H LYS 96 41.628 28.353 12.692 832 HA LYS 96 HA LYS 96 41.266 30.940 14.131 833 1HB LYS 96 1HB LYS 96 40.359 30.475 11.286 834 2HB LYS 96 2HB LYS 96 40.116 31.944 12.227 835 1HG LYS 96 1HG LYS 96 42.917 31.201 12.215 836 2HG LYS 96 2HG LYS 96 42.311 31.348 10.570 837 1HD LYS 96 1HD LYS 96 41.330 33.487 12.287 838 2HD LYS 96 2HD LYS 96 43.093 33.440 12.226 839 1HE LYS 96 1HE LYS 96 43.048 34.367 10.183 840 2HE LYS 96 2HE LYS 96 42.124 32.990 9.584 841 1HZ LYS 96 2HZ LYS 96 40.097 34.075 10.357 842 2HZ LYS 96 3HZ LYS 96 41.001 35.413 10.886 843 3HZ LYS 96 1HZ LYS 96 40.923 35.043 9.232 844 H GLU 97 H GLU 97 40.342 28.085 14.369 845 HA GLU 97 HA GLU 97 38.322 26.850 14.375 846 1HB GLU 97 1HB GLU 97 38.974 28.076 16.620 847 2HB GLU 97 2HB GLU 97 37.407 28.851 16.340 848 1HG GLU 97 1HG GLU 97 36.283 26.758 16.181 849 2HG GLU 97 2HG GLU 97 37.821 25.885 16.098 850 H GLU 98 H GLU 98 36.791 26.757 12.941 851 HA GLU 98 HA GLU 98 34.799 28.959 12.828 852 1HB GLU 98 1HB GLU 98 35.575 29.497 10.797 853 2HB GLU 98 2HB GLU 98 36.577 28.056 10.703 854 1HG GLU 98 1HG GLU 98 34.904 26.800 9.669 855 2HG GLU 98 2HG GLU 98 33.608 27.808 10.317 856 H LEU 99 H LEU 99 33.224 27.827 13.875 857 HA LEU 99 HA LEU 99 32.646 25.115 13.868 858 1HB LEU 99 1HB LEU 99 30.338 25.567 14.382 859 2HB LEU 99 2HB LEU 99 31.336 26.740 15.200 860 HG LEU 99 HG LEU 99 29.124 27.536 14.112 861 1HD1 LEU 99 1HD1 LEU 99 31.763 28.885 13.999 862 2HD1 LEU 99 2HD1 LEU 99 30.453 29.621 13.080 863 3HD1 LEU 99 3HD1 LEU 99 30.274 29.382 14.816 864 1HD2 LEU 99 2HD2 LEU 99 29.616 26.365 11.930 865 2HD2 LEU 99 3HD2 LEU 99 29.082 28.047 11.807 866 3HD2 LEU 99 1HD2 LEU 99 30.789 27.648 11.611 867 H MET 100 H MET 100 30.872 23.924 12.676 868 HA MET 100 HA MET 100 30.670 24.847 9.883 869 1HB MET 100 1HB MET 100 31.759 22.180 10.690 870 2HB MET 100 2HB MET 100 31.583 22.810 9.042 871 1HG MET 100 1HG MET 100 32.988 24.752 9.684 872 2HG MET 100 2HG MET 100 33.284 23.992 11.245 873 1HE MET 100 2HE MET 100 33.075 21.064 10.353 874 2HE MET 100 3HE MET 100 32.639 21.473 8.692 875 3HE MET 100 1HE MET 100 34.093 20.514 9.013 876 H PHE 101 H PHE 101 28.681 24.749 9.364 877 HA PHE 101 HA PHE 101 26.583 23.572 10.697 878 1HB PHE 101 1HB PHE 101 26.694 25.027 8.491 879 2HB PHE 101 2HB PHE 101 26.596 23.448 7.733 880 HD1 PHE 101 HD1 PHE 101 25.003 23.849 10.968 881 HD2 PHE 101 HD2 PHE 101 24.429 24.107 6.738 882 HE1 PHE 101 HE1 PHE 101 22.582 23.823 11.313 883 HE2 PHE 101 HE2 PHE 101 21.979 24.074 7.076 884 HZ PHE 101 HZ PHE 101 21.047 23.930 9.370 885 H PHE 102 H PHE 102 25.851 21.433 10.905 886 HA PHE 102 HA PHE 102 27.193 19.516 9.036 887 1HB PHE 102 1HB PHE 102 26.956 19.479 11.976 888 2HB PHE 102 2HB PHE 102 26.629 17.945 11.167 889 HD1 PHE 102 HD2 PHE 102 28.319 16.992 9.561 890 HD2 PHE 102 HD1 PHE 102 29.128 20.373 12.103 891 HE1 PHE 102 HE2 PHE 102 30.777 16.724 9.180 892 HE2 PHE 102 HE1 PHE 102 31.555 20.097 11.741 893 HZ PHE 102 HZ PHE 102 32.388 18.269 10.272 894 H LEU 103 H LEU 103 25.669 18.760 7.684 895 HA LEU 103 HA LEU 103 22.866 18.620 8.608 896 1HB LEU 103 1HB LEU 103 24.183 18.187 5.927 897 2HB LEU 103 2HB LEU 103 22.503 17.753 6.231 898 HG LEU 103 HG LEU 103 21.814 19.935 6.329 899 1HD1 LEU 103 1HD1 LEU 103 23.087 20.364 8.420 900 2HD1 LEU 103 2HD1 LEU 103 24.534 20.670 7.463 901 3HD1 LEU 103 3HD1 LEU 103 23.149 21.751 7.334 902 1HD2 LEU 103 2HD2 LEU 103 24.186 19.710 4.625 903 2HD2 LEU 103 3HD2 LEU 103 22.637 20.477 4.286 904 3HD2 LEU 103 1HD2 LEU 103 23.890 21.362 5.155 905 H TRP 104 H TRP 104 24.300 17.097 10.111 906 HA TRP 104 HA TRP 104 25.056 14.527 9.471 907 1HB TRP 104 1HB TRP 104 25.070 15.559 11.736 908 2HB TRP 104 2HB TRP 104 23.338 15.311 11.842 909 HD1 TRP 104 HD1 TRP 104 23.422 13.511 13.859 910 HE1 TRP 104 HE1 TRP 104 24.294 11.089 13.914 911 HE3 TRP 104 HE3 TRP 104 26.071 13.336 9.454 912 HZ2 TRP 104 HZ2 TRP 104 25.958 9.322 12.291 913 HZ3 TRP 104 HZ3 TRP 104 27.190 11.360 8.751 914 HH2 TRP 104 HH2 TRP 104 27.170 9.310 10.157 915 H ALA 105 H ALA 105 23.792 13.639 7.761 916 HA ALA 105 HA ALA 105 20.920 13.084 8.440 917 1HB ALA 105 2HB ALA 105 21.726 14.609 6.338 918 2HB ALA 105 3HB ALA 105 21.804 13.014 5.589 919 3HB ALA 105 1HB ALA 105 20.287 13.591 6.276 920 HA PRO 106 HA PRO 106 23.039 9.076 8.264 921 1HB PRO 106 1HB PRO 106 21.307 7.884 10.033 922 2HB PRO 106 2HB PRO 106 22.755 8.775 10.522 923 1HG PRO 106 1HG PRO 106 19.888 9.601 10.657 924 2HG PRO 106 2HG PRO 106 21.252 10.105 11.672 925 1HD PRO 106 1HD PRO 106 20.136 11.607 9.585 926 2HD PRO 106 2HD PRO 106 21.727 11.903 10.315 927 H GLU 107 H GLU 107 22.458 7.286 7.044 928 HA GLU 107 HA GLU 107 20.208 7.563 5.299 929 1HB GLU 107 1HB GLU 107 21.915 5.117 5.837 930 2HB GLU 107 2HB GLU 107 20.864 5.359 4.442 931 1HG GLU 107 1HG GLU 107 22.187 7.240 3.689 932 2HG GLU 107 2HG GLU 107 23.159 7.201 5.160 933 H LEU 108 H LEU 108 20.222 6.593 8.533 934 HA LEU 108 HA LEU 108 17.805 4.955 8.035 935 1HB LEU 108 1HB LEU 108 18.624 4.157 10.517 936 2HB LEU 108 2HB LEU 108 18.921 3.283 9.025 937 HG LEU 108 HG LEU 108 20.968 3.561 10.353 938 1HD1 LEU 108 2HD1 LEU 108 20.617 4.226 7.622 939 2HD1 LEU 108 3HD1 LEU 108 21.864 5.288 8.280 940 3HD1 LEU 108 1HD1 LEU 108 22.044 3.537 8.401 941 1HD2 LEU 108 3HD2 LEU 108 20.059 6.359 10.353 942 2HD2 LEU 108 1HD2 LEU 108 21.004 5.476 11.551 943 3HD2 LEU 108 2HD2 LEU 108 21.792 6.122 10.112 944 H ALA 109 H ALA 109 18.741 7.916 9.160 945 HA ALA 109 HA ALA 109 17.605 8.268 11.681 946 1HB ALA 109 1HB ALA 109 18.071 9.947 9.350 947 2HB ALA 109 2HB ALA 109 16.583 10.439 10.200 948 3HB ALA 109 3HB ALA 109 18.141 10.373 11.064 949 HA PRO 110 HA PRO 110 13.293 7.605 11.298 950 1HB PRO 110 1HB PRO 110 12.280 9.782 12.653 951 2HB PRO 110 2HB PRO 110 13.037 8.397 13.466 952 1HG PRO 110 1HG PRO 110 14.139 11.133 12.980 953 2HG PRO 110 2HG PRO 110 14.509 9.993 14.284 954 1HD PRO 110 1HD PRO 110 16.126 10.471 12.038 955 2HD PRO 110 2HD PRO 110 16.248 9.059 13.109 956 H LEU 111 H LEU 111 12.260 7.920 9.316 957 HA LEU 111 HA LEU 111 12.623 9.937 7.458 958 1HB LEU 111 1HB LEU 111 9.924 8.723 8.188 959 2HB LEU 111 2HB LEU 111 10.322 9.514 6.662 960 HG LEU 111 HG LEU 111 12.065 7.257 7.569 961 1HD1 LEU 111 2HD1 LEU 111 9.429 6.774 7.678 962 2HD1 LEU 111 3HD1 LEU 111 9.654 6.591 5.938 963 3HD1 LEU 111 1HD1 LEU 111 10.567 5.578 7.057 964 1HD2 LEU 111 2HD2 LEU 111 12.208 8.817 5.434 965 2HD2 LEU 111 3HD2 LEU 111 12.559 7.093 5.299 966 3HD2 LEU 111 1HD2 LEU 111 10.982 7.713 4.808 967 H LYS 112 H LYS 112 11.662 11.910 7.043 968 HA LYS 112 HA LYS 112 10.422 13.884 7.551 969 1HB LYS 112 1HB LYS 112 10.338 12.949 10.439 970 2HB LYS 112 2HB LYS 112 9.461 14.296 9.725 971 1HG LYS 112 1HG LYS 112 9.075 11.383 8.984 972 2HG LYS 112 2HG LYS 112 7.993 12.338 9.992 973 1HD LYS 112 1HD LYS 112 6.973 12.550 7.909 974 2HD LYS 112 2HD LYS 112 8.000 13.984 7.938 975 1HE LYS 112 1HE LYS 112 9.244 13.235 6.208 976 2HE LYS 112 2HE LYS 112 9.439 11.647 6.949 977 1HZ LYS 112 1HZ LYS 112 6.915 12.473 5.644 978 2HZ LYS 112 2HZ LYS 112 8.175 11.734 4.781 979 3HZ LYS 112 3HZ LYS 112 7.422 10.906 6.059 980 H SER 113 H SER 113 12.824 12.637 9.961 981 HA SER 113 HA SER 113 13.890 15.341 10.275 982 1HB SER 113 1HB SER 113 15.147 12.682 11.028 983 2HB SER 113 2HB SER 113 15.636 14.272 11.608 984 HG SER 113 HG SER 113 13.438 12.703 12.276 985 H LYS 114 H LYS 114 14.007 12.973 7.898 986 HA LYS 114 HA LYS 114 16.666 13.880 6.916 987 1HB LYS 114 1HB LYS 114 16.788 11.885 5.677 988 2HB LYS 114 2HB LYS 114 16.041 11.384 7.193 989 1HG LYS 114 1HG LYS 114 13.813 11.499 6.174 990 2HG LYS 114 2HG LYS 114 14.521 12.093 4.669 991 1HD LYS 114 1HD LYS 114 15.445 9.488 5.856 992 2HD LYS 114 2HD LYS 114 13.995 9.554 4.852 993 1HE LYS 114 1HE LYS 114 15.175 10.144 2.943 994 2HE LYS 114 2HE LYS 114 16.484 10.892 3.858 995 1HZ LYS 114 2HZ LYS 114 16.110 8.047 4.284 996 2HZ LYS 114 3HZ LYS 114 16.657 8.488 2.736 997 3HZ LYS 114 1HZ LYS 114 17.541 8.942 4.114 998 H MET 115 H MET 115 13.228 13.849 6.213 999 HA MET 115 HA MET 115 13.772 15.002 3.498 1000 1HB MET 115 1HB MET 115 10.992 14.858 4.390 1001 2HB MET 115 2HB MET 115 11.718 14.288 2.881 1002 1HG MET 115 1HG MET 115 12.747 12.395 4.345 1003 2HG MET 115 2HG MET 115 11.521 12.859 5.522 1004 1HE MET 115 1HE MET 115 12.420 11.099 2.310 1005 2HE MET 115 2HE MET 115 12.095 10.096 3.722 1006 3HE MET 115 3HE MET 115 11.078 9.946 2.292 1007 H ILE 116 H ILE 116 12.988 16.097 6.679 1008 HA ILE 116 HA ILE 116 11.387 18.257 5.755 1009 HB ILE 116 HB ILE 116 12.503 17.240 8.309 1010 1HG1 ILE 116 1HG1 ILE 116 9.875 18.501 8.301 1011 2HG1 ILE 116 2HG1 ILE 116 10.021 17.272 7.045 1012 1HG2 ILE 116 3HG2 ILE 116 11.973 20.075 7.668 1013 2HG2 ILE 116 1HG2 ILE 116 11.491 19.476 9.257 1014 3HG2 ILE 116 2HG2 ILE 116 13.168 19.345 8.734 1015 1HD1 ILE 116 2HD1 ILE 116 11.105 16.508 9.682 1016 2HD1 ILE 116 3HD1 ILE 116 9.357 16.736 9.633 1017 3HD1 ILE 116 1HD1 ILE 116 10.125 15.573 8.552 1018 H TYR 117 H TYR 117 14.339 18.269 7.671 1019 HA TYR 117 HA TYR 117 14.967 20.945 6.823 1020 1HB TYR 117 1HB TYR 117 16.877 20.784 8.253 1021 2HB TYR 117 2HB TYR 117 15.489 20.046 9.038 1022 HD1 TYR 117 HD2 TYR 117 17.710 18.335 6.483 1023 HD2 TYR 117 HD1 TYR 117 16.532 18.738 10.598 1024 HE1 TYR 117 HE2 TYR 117 19.060 16.357 7.070 1025 HE2 TYR 117 HE1 TYR 117 17.885 16.751 11.185 1026 HH TYR 117 HH TYR 117 20.198 15.454 9.103 1027 H ALA 118 H ALA 118 15.426 17.872 5.583 1028 HA ALA 118 HA ALA 118 17.722 18.121 3.956 1029 1HB ALA 118 1HB ALA 118 15.260 16.594 4.102 1030 2HB ALA 118 2HB ALA 118 15.700 16.935 2.426 1031 3HB ALA 118 3HB ALA 118 16.836 16.084 3.478 1032 H SER 119 H SER 119 14.416 19.335 3.757 1033 HA SER 119 HA SER 119 15.214 20.973 1.361 1034 1HB SER 119 1HB SER 119 13.066 19.201 1.683 1035 2HB SER 119 2HB SER 119 12.361 20.803 1.864 1036 HG SER 119 HG SER 119 12.728 21.178 -0.179 1037 H SER 120 H SER 120 14.719 21.079 4.608 1038 HA SER 120 HA SER 120 13.678 23.883 4.492 1039 1HB SER 120 1HB SER 120 13.379 21.846 6.703 1040 2HB SER 120 2HB SER 120 12.824 23.516 6.781 1041 HG SER 120 HG SER 120 11.689 22.957 4.746 1042 H LYS 121 H LYS 121 16.565 22.710 4.538 1043 HA LYS 121 HA LYS 121 17.590 23.742 7.039 1044 1HB LYS 121 1HB LYS 121 18.701 21.876 6.155 1045 2HB LYS 121 2HB LYS 121 18.690 22.532 4.523 1046 1HG LYS 121 1HG LYS 121 20.142 24.346 5.302 1047 2HG LYS 121 2HG LYS 121 20.274 23.531 6.882 1048 1HD LYS 121 1HD LYS 121 21.811 22.095 6.025 1049 2HD LYS 121 2HD LYS 121 20.662 21.620 4.766 1050 1HE LYS 121 1HE LYS 121 22.430 24.084 4.623 1051 2HE LYS 121 2HE LYS 121 22.799 22.547 3.840 1052 1HZ LYS 121 3HZ LYS 121 20.594 22.738 2.720 1053 2HZ LYS 121 1HZ LYS 121 20.474 24.317 3.326 1054 3HZ LYS 121 2HZ LYS 121 21.727 23.915 2.251 1055 H ASP 122 H ASP 122 16.315 25.083 4.399 1056 HA ASP 122 HA ASP 122 18.106 27.294 3.826 1057 1HB ASP 122 1HB ASP 122 16.045 26.249 2.446 1058 2HB ASP 122 2HB ASP 122 15.139 27.413 3.420 1059 H ALA 123 H ALA 123 15.499 26.331 5.857 1060 HA ALA 123 HA ALA 123 14.743 28.834 7.020 1061 1HB ALA 123 2HB ALA 123 13.862 26.260 7.028 1062 2HB ALA 123 3HB ALA 123 14.601 26.357 8.633 1063 3HB ALA 123 1HB ALA 123 13.311 27.482 8.186 1064 H ILE 124 H ILE 124 16.785 26.162 8.303 1065 HA ILE 124 HA ILE 124 17.837 27.559 10.523 1066 HB ILE 124 HB ILE 124 18.296 25.211 10.212 1067 1HG1 ILE 124 1HG1 ILE 124 21.014 26.127 9.673 1068 2HG1 ILE 124 2HG1 ILE 124 20.179 27.103 10.881 1069 1HG2 ILE 124 3HG2 ILE 124 18.230 25.308 7.738 1070 2HG2 ILE 124 1HG2 ILE 124 19.826 26.050 7.755 1071 3HG2 ILE 124 2HG2 ILE 124 19.610 24.399 8.340 1072 1HD1 ILE 124 3HD1 ILE 124 20.272 24.082 10.956 1073 2HD1 ILE 124 1HD1 ILE 124 21.437 25.109 11.821 1074 3HD1 ILE 124 2HD1 ILE 124 19.710 25.176 12.243 1075 H LYS 125 H LYS 125 18.633 27.411 7.145 1076 HA LYS 125 HA LYS 125 21.012 28.920 7.022 1077 1HB LYS 125 1HB LYS 125 19.032 27.868 5.260 1078 2HB LYS 125 2HB LYS 125 19.335 29.545 4.796 1079 1HG LYS 125 1HG LYS 125 21.071 28.598 3.652 1080 2HG LYS 125 2HG LYS 125 21.861 28.737 5.221 1081 1HD LYS 125 1HD LYS 125 20.281 26.287 4.448 1082 2HD LYS 125 2HD LYS 125 22.000 26.445 4.090 1083 1HE LYS 125 1HE LYS 125 21.255 27.140 6.856 1084 2HE LYS 125 2HE LYS 125 21.032 25.451 6.437 1085 1HZ LYS 125 3HZ LYS 125 23.510 26.897 5.746 1086 2HZ LYS 125 1HZ LYS 125 23.307 26.185 7.274 1087 3HZ LYS 125 2HZ LYS 125 23.262 25.224 5.872 1088 H LYS 126 H LYS 126 17.646 30.006 7.159 1089 HA LYS 126 HA LYS 126 17.970 32.719 6.541 1090 1HB LYS 126 1HB LYS 126 16.215 31.464 8.673 1091 2HB LYS 126 2HB LYS 126 16.079 33.145 8.150 1092 1HG LYS 126 1HG LYS 126 16.133 31.361 5.864 1093 2HG LYS 126 2HG LYS 126 14.837 30.916 6.974 1094 1HD LYS 126 1HD LYS 126 13.642 32.778 6.499 1095 2HD LYS 126 2HD LYS 126 15.068 33.813 6.590 1096 1HE LYS 126 1HE LYS 126 14.841 31.973 4.248 1097 2HE LYS 126 2HE LYS 126 13.801 33.397 4.278 1098 1HZ LYS 126 1HZ LYS 126 15.915 34.662 4.838 1099 2HZ LYS 126 2HZ LYS 126 16.753 33.276 4.326 1100 3HZ LYS 126 3HZ LYS 126 15.748 34.105 3.242 1101 H LYS 127 H LYS 127 18.920 30.970 9.369 1102 HA LYS 127 HA LYS 127 20.073 33.461 10.540 1103 1HB LYS 127 1HB LYS 127 19.728 30.880 12.048 1104 2HB LYS 127 2HB LYS 127 19.823 32.524 12.679 1105 1HG LYS 127 1HG LYS 127 17.533 31.423 11.026 1106 2HG LYS 127 2HG LYS 127 17.503 31.650 12.776 1107 1HD LYS 127 1HD LYS 127 17.340 33.932 12.615 1108 2HD LYS 127 2HD LYS 127 18.322 33.998 11.149 1109 1HE LYS 127 1HE LYS 127 16.341 34.367 10.097 1110 2HE LYS 127 2HE LYS 127 16.118 32.627 10.268 1111 1HZ LYS 127 3HZ LYS 127 15.380 34.310 12.536 1112 2HZ LYS 127 1HZ LYS 127 14.366 34.354 11.176 1113 3HZ LYS 127 2HZ LYS 127 14.664 32.878 11.966 1114 H PHE 128 H PHE 128 20.650 30.480 9.017 1115 HA PHE 128 HA PHE 128 23.428 30.314 10.028 1116 1HB PHE 128 1HB PHE 128 21.558 28.430 8.698 1117 2HB PHE 128 2HB PHE 128 23.269 28.244 8.316 1118 HD1 PHE 128 HD2 PHE 128 22.005 29.777 11.335 1119 HD2 PHE 128 HD1 PHE 128 23.654 26.173 9.656 1120 HE1 PHE 128 HE2 PHE 128 22.283 28.864 13.601 1121 HE2 PHE 128 HE1 PHE 128 23.903 25.240 11.962 1122 HZ PHE 128 HZ PHE 128 23.196 26.581 13.932 1123 H GLN 129 H GLN 129 22.655 32.452 8.605 1124 HA GLN 129 HA GLN 129 23.286 32.309 5.786 1125 1HB GLN 129 1HB GLN 129 23.859 34.820 7.290 1126 2HB GLN 129 2HB GLN 129 22.954 34.592 5.792 1127 1HG GLN 129 1HG GLN 129 21.384 33.231 7.584 1128 2HG GLN 129 2HG GLN 129 22.005 34.538 8.589 1129 1HE2 GLN 129 2HE2 GLN 129 19.063 35.342 6.016 1130 2HE2 GLN 129 1HE2 GLN 129 19.509 33.776 6.489 1131 H GLY 130 H GLY 130 25.134 32.755 8.728 1132 1HA GLY 130 1HA GLY 130 27.652 32.714 7.110 1133 2HA GLY 130 2HA GLY 130 27.525 33.480 8.700 1134 H ILE 131 H ILE 131 26.275 30.336 7.579 1135 HA ILE 131 HA ILE 131 26.745 28.878 9.866 1136 HB ILE 131 HB ILE 131 26.075 28.381 7.158 1137 1HG1 ILE 131 1HG1 ILE 131 24.622 27.589 8.790 1138 2HG1 ILE 131 2HG1 ILE 131 25.373 26.155 8.107 1139 1HG2 ILE 131 2HG2 ILE 131 28.361 27.505 7.006 1140 2HG2 ILE 131 3HG2 ILE 131 27.935 26.348 8.280 1141 3HG2 ILE 131 1HG2 ILE 131 27.100 26.301 6.728 1142 1HD1 ILE 131 3HD1 ILE 131 27.128 26.429 9.941 1143 2HD1 ILE 131 1HD1 ILE 131 25.956 27.536 10.693 1144 3HD1 ILE 131 2HD1 ILE 131 25.516 25.850 10.430 1145 H LYS 132 H LYS 132 28.982 30.022 7.576 1146 HA LYS 132 HA LYS 132 31.349 30.063 7.752 1147 1HB LYS 132 1HB LYS 132 31.250 27.836 9.786 1148 2HB LYS 132 2HB LYS 132 32.510 29.035 9.526 1149 1HG LYS 132 1HG LYS 132 29.787 29.507 10.723 1150 2HG LYS 132 2HG LYS 132 31.339 29.593 11.540 1151 1HD LYS 132 1HD LYS 132 31.054 31.289 9.134 1152 2HD LYS 132 2HD LYS 132 30.109 31.774 10.541 1153 1HE LYS 132 1HE LYS 132 32.462 32.752 10.408 1154 2HE LYS 132 2HE LYS 132 32.047 31.941 11.918 1155 1HZ LYS 132 2HZ LYS 132 33.472 30.643 9.661 1156 2HZ LYS 132 3HZ LYS 132 34.241 31.305 11.020 1157 3HZ LYS 132 1HZ LYS 132 33.186 29.985 11.201 1158 H HIS 133 H HIS 133 29.657 26.965 8.228 1159 HA HIS 133 HA HIS 133 30.869 26.071 5.659 1160 1HB HIS 133 1HB HIS 133 31.533 24.832 8.298 1161 2HB HIS 133 2HB HIS 133 31.566 23.891 6.813 1162 HD1 HIS 133 HD1 HIS 133 32.601 26.214 4.942 1163 HD2 HIS 133 HD2 HIS 133 34.304 25.125 8.573 1164 HE1 HIS 133 HE1 HIS 133 34.961 27.133 4.936 1165 H GLU 134 H GLU 134 28.698 25.849 4.909 1166 HA GLU 134 HA GLU 134 26.863 24.131 6.307 1167 1HB GLU 134 1HB GLU 134 25.508 25.179 4.915 1168 2HB GLU 134 2HB GLU 134 26.822 25.648 3.841 1169 1HG GLU 134 1HG GLU 134 26.708 23.599 2.646 1170 2HG GLU 134 2HG GLU 134 25.753 22.827 3.916 1171 H CYS 135 H CYS 135 27.510 22.155 6.621 1172 HA CYS 135 HA CYS 135 28.618 20.581 4.318 1173 1HB CYS 135 1HB CYS 135 29.953 21.059 6.680 1174 2HB CYS 135 2HB CYS 135 29.168 19.520 7.027 1175 HG CYS 135 HG CYS 135 30.970 18.502 5.681 1176 H GLN 136 H GLN 136 28.283 18.099 4.830 1177 HA GLN 136 HA GLN 136 25.811 17.529 6.297 1178 1HB GLN 136 1HB GLN 136 24.942 18.169 4.061 1179 2HB GLN 136 2HB GLN 136 25.999 16.966 3.320 1180 1HG GLN 136 1HG GLN 136 24.871 15.166 4.366 1181 2HG GLN 136 2HG GLN 136 24.049 16.231 5.498 1182 1HE2 GLN 136 2HE2 GLN 136 21.533 17.180 3.145 1183 2HE2 GLN 136 1HE2 GLN 136 22.395 17.788 4.464 1184 H ALA 137 H ALA 137 25.478 15.141 6.460 1185 HA ALA 137 HA ALA 137 27.658 13.459 5.485 1186 1HB ALA 137 2HB ALA 137 27.431 14.228 8.377 1187 2HB ALA 137 3HB ALA 137 28.167 12.703 7.889 1188 3HB ALA 137 1HB ALA 137 28.864 14.229 7.349 1189 H ASN 138 H ASN 138 26.541 11.802 4.758 1190 HA ASN 138 HA ASN 138 24.356 10.705 6.462 1191 1HB ASN 138 1HB ASN 138 24.886 10.327 3.499 1192 2HB ASN 138 2HB ASN 138 23.587 9.533 4.396 1193 1HD2 ASN 138 2HD2 ASN 138 23.284 13.659 4.053 1194 2HD2 ASN 138 1HD2 ASN 138 24.823 12.957 4.210 1195 H GLY 139 H GLY 139 26.702 10.496 7.233 1196 1HA GLY 139 1HA GLY 139 27.318 7.903 7.922 1197 2HA GLY 139 2HA GLY 139 28.338 8.280 6.501 1198 HA PRO 140 HA PRO 140 29.395 10.907 10.345 1199 1HB PRO 140 1HB PRO 140 31.138 9.234 11.733 1200 2HB PRO 140 2HB PRO 140 29.429 9.473 12.142 1201 1HG PRO 140 1HG PRO 140 30.732 7.175 10.740 1202 2HG PRO 140 2HG PRO 140 29.300 7.189 11.784 1203 1HD PRO 140 1HD PRO 140 29.199 7.056 8.991 1204 2HD PRO 140 2HD PRO 140 27.860 7.626 10.012 1205 H GLU 141 H GLU 141 30.675 9.112 7.849 1206 HA GLU 141 HA GLU 141 33.500 9.868 7.930 1207 1HB GLU 141 1HB GLU 141 31.967 8.745 5.593 1208 2HB GLU 141 2HB GLU 141 33.648 8.424 6.081 1209 1HG GLU 141 1HG GLU 141 32.265 7.739 8.317 1210 2HG GLU 141 2HG GLU 141 31.136 7.259 7.053 1211 H ASP 142 H ASP 142 30.493 11.046 6.518 1212 HA ASP 142 HA ASP 142 31.854 12.742 4.583 1213 1HB ASP 142 1HB ASP 142 29.118 12.248 5.410 1214 2HB ASP 142 2HB ASP 142 29.435 13.982 5.333 1215 H LEU 143 H LEU 143 31.623 12.571 7.935 1216 HA LEU 143 HA LEU 143 32.027 15.469 8.423 1217 1HB LEU 143 1HB LEU 143 31.862 13.050 10.225 1218 2HB LEU 143 2HB LEU 143 32.246 14.673 10.805 1219 HG LEU 143 HG LEU 143 29.989 15.075 9.246 1220 1HD1 LEU 143 3HD1 LEU 143 29.837 12.540 9.229 1221 2HD1 LEU 143 1HD1 LEU 143 29.529 12.638 10.964 1222 3HD1 LEU 143 2HD1 LEU 143 28.406 13.385 9.829 1223 1HD2 LEU 143 1HD2 LEU 143 30.646 15.981 11.527 1224 2HD2 LEU 143 2HD2 LEU 143 28.936 15.590 11.347 1225 3HD2 LEU 143 3HD2 LEU 143 30.011 14.492 12.213 1226 H ASN 144 H ASN 144 33.651 12.636 7.748 1227 HA ASN 144 HA ASN 144 35.956 12.310 8.951 1228 1HB ASN 144 1HB ASN 144 35.348 11.229 6.842 1229 2HB ASN 144 2HB ASN 144 35.685 12.731 5.988 1230 1HD2 ASN 144 2HD2 ASN 144 38.941 11.221 7.856 1231 2HD2 ASN 144 1HD2 ASN 144 37.465 11.370 8.690 1232 H ARG 145 H ARG 145 37.695 13.484 9.426 1233 HA ARG 145 HA ARG 145 37.588 16.305 9.093 1234 1HB ARG 145 1HB ARG 145 40.158 16.055 9.736 1235 2HB ARG 145 2HB ARG 145 38.869 15.895 10.923 1236 1HG ARG 145 1HG ARG 145 39.385 13.742 11.312 1237 2HG ARG 145 2HG ARG 145 39.371 13.365 9.576 1238 1HD ARG 145 1HD ARG 145 41.620 13.415 9.470 1239 2HD ARG 145 2HD ARG 145 41.677 14.987 10.267 1240 HE ARG 145 HE ARG 145 41.846 13.855 12.400 1241 1HH1 ARG 145 1HH2 ARG 145 40.636 11.561 12.868 1242 2HH1 ARG 145 2HH2 ARG 145 41.626 10.258 12.303 1243 1HH2 ARG 145 1HH1 ARG 145 43.587 12.280 10.278 1244 2HH2 ARG 145 2HH1 ARG 145 43.302 10.665 10.836 1245 H ALA 146 H ALA 146 39.096 13.760 7.251 1246 HA ALA 146 HA ALA 146 40.824 15.368 5.611 1247 1HB ALA 146 1HB ALA 146 40.652 12.774 5.804 1248 2HB ALA 146 2HB ALA 146 39.316 12.938 4.647 1249 3HB ALA 146 3HB ALA 146 40.948 13.464 4.208 1250 H CYS 147 H CYS 147 37.480 14.436 5.609 1251 HA CYS 147 HA CYS 147 36.813 15.671 3.031 1252 1HB CYS 147 1HB CYS 147 35.701 13.755 4.501 1253 2HB CYS 147 2HB CYS 147 34.795 15.152 5.113 1254 HG CYS 147 HG CYS 147 33.426 14.513 3.055 1255 H ILE 148 H ILE 148 36.817 16.521 6.381 1256 HA ILE 148 HA ILE 148 35.322 18.953 5.999 1257 HB ILE 148 HB ILE 148 37.093 17.828 8.166 1258 1HG1 ILE 148 1HG1 ILE 148 35.288 16.576 8.590 1259 2HG1 ILE 148 2HG1 ILE 148 34.498 18.043 9.139 1260 1HG2 ILE 148 2HG2 ILE 148 35.669 20.388 7.811 1261 2HG2 ILE 148 3HG2 ILE 148 35.764 19.698 9.434 1262 3HG2 ILE 148 1HG2 ILE 148 37.238 20.048 8.523 1263 1HD1 ILE 148 2HD1 ILE 148 34.438 17.084 6.257 1264 2HD1 ILE 148 3HD1 ILE 148 33.207 16.646 7.447 1265 3HD1 ILE 148 1HD1 ILE 148 33.437 18.351 6.990 1266 H ALA 149 H ALA 149 38.302 17.543 5.563 1267 HA ALA 149 HA ALA 149 39.920 20.005 5.383 1268 1HB ALA 149 1HB ALA 149 40.505 17.068 5.027 1269 2HB ALA 149 2HB ALA 149 41.716 18.334 4.841 1270 3HB ALA 149 3HB ALA 149 40.957 18.053 6.411 1271 H GLU 150 H GLU 150 37.640 19.153 3.789 1272 HA GLU 150 HA GLU 150 38.688 19.438 1.046 1273 1HB GLU 150 1HB GLU 150 37.859 17.368 0.663 1274 2HB GLU 150 2HB GLU 150 37.066 17.318 2.239 1275 1HG GLU 150 1HG GLU 150 35.140 18.441 1.422 1276 2HG GLU 150 2HG GLU 150 35.960 18.939 -0.058 1277 H LYS 151 H LYS 151 36.149 19.824 3.443 1278 HA LYS 151 HA LYS 151 34.503 21.642 1.905 1279 1HB LYS 151 1HB LYS 151 33.125 21.021 3.589 1280 2HB LYS 151 2HB LYS 151 34.468 20.262 4.447 1281 1HG LYS 151 1HG LYS 151 34.986 22.257 5.610 1282 2HG LYS 151 2HG LYS 151 34.022 23.248 4.512 1283 1HD LYS 151 1HD LYS 151 32.850 21.059 6.253 1284 2HD LYS 151 2HD LYS 151 32.911 22.759 6.734 1285 1HE LYS 151 1HE LYS 151 31.451 21.565 4.366 1286 2HE LYS 151 2HE LYS 151 30.754 22.432 5.735 1287 1HZ LYS 151 1HZ LYS 151 32.447 24.254 4.853 1288 2HZ LYS 151 2HZ LYS 151 32.128 23.463 3.385 1289 3HZ LYS 151 3HZ LYS 151 30.854 24.138 4.285 1290 H LEU 152 H LEU 152 37.322 21.647 3.857 1291 HA LEU 152 HA LEU 152 37.594 24.602 3.566 1292 1HB LEU 152 1HB LEU 152 39.328 23.311 5.572 1293 2HB LEU 152 2HB LEU 152 38.408 24.803 5.689 1294 HG LEU 152 HG LEU 152 36.813 22.302 5.703 1295 1HD1 LEU 152 2HD1 LEU 152 38.532 23.154 8.052 1296 2HD1 LEU 152 3HD1 LEU 152 37.277 21.915 8.103 1297 3HD1 LEU 152 1HD1 LEU 152 38.728 21.664 7.130 1298 1HD2 LEU 152 2HD2 LEU 152 36.848 24.903 7.227 1299 2HD2 LEU 152 3HD2 LEU 152 35.727 24.429 5.951 1300 3HD2 LEU 152 1HD2 LEU 152 35.680 23.616 7.513 1301 H GLY 153 H GLY 153 39.062 21.366 3.471 1302 1HA GLY 153 1HA GLY 153 41.603 22.388 2.423 1303 2HA GLY 153 2HA GLY 153 41.161 20.714 2.687 1304 H GLY 154 H GLY 154 38.622 21.872 1.271 1305 1HA GLY 154 1HA GLY 154 39.595 21.224 -1.491 1306 2HA GLY 154 2HA GLY 154 37.918 21.007 -0.958 1307 H SER 155 H SER 155 39.678 23.673 0.223 1308 HA SER 155 HA SER 155 38.565 25.566 -1.748 1309 1HB SER 155 1HB SER 155 38.122 26.666 0.838 1310 2HB SER 155 2HB SER 155 36.914 26.229 -0.364 1311 HG SER 155 HG SER 155 37.007 24.090 0.481 1312 H LEU 156 H LEU 156 39.762 26.201 1.505 1313 HA LEU 156 HA LEU 156 42.444 26.926 0.525 1314 1HB LEU 156 1HB LEU 156 40.942 29.103 1.908 1315 2HB LEU 156 2HB LEU 156 42.311 29.216 0.806 1316 HG LEU 156 HG LEU 156 40.644 28.283 -0.953 1317 1HD1 LEU 156 3HD1 LEU 156 38.951 28.403 1.295 1318 2HD1 LEU 156 1HD1 LEU 156 38.426 29.678 0.192 1319 3HD1 LEU 156 2HD1 LEU 156 38.510 28.004 -0.371 1320 1HD2 LEU 156 3HD2 LEU 156 41.652 30.606 -0.794 1321 2HD2 LEU 156 1HD2 LEU 156 40.093 30.520 -1.614 1322 3HD2 LEU 156 2HD2 LEU 156 40.182 31.089 0.053 1323 H ILE 157 H ILE 157 42.570 25.088 2.463 1324 HA ILE 157 HA ILE 157 42.769 26.769 4.901 1325 HB ILE 157 HB ILE 157 42.619 24.642 6.183 1326 1HG1 ILE 157 1HG1 ILE 157 41.706 23.583 3.513 1327 2HG1 ILE 157 2HG1 ILE 157 43.254 23.161 4.279 1328 1HG2 ILE 157 1HG2 ILE 157 40.716 26.305 5.487 1329 2HG2 ILE 157 2HG2 ILE 157 40.175 24.956 4.500 1330 3HG2 ILE 157 3HG2 ILE 157 40.315 24.764 6.243 1331 1HD1 ILE 157 3HD1 ILE 157 41.363 22.918 6.284 1332 2HD1 ILE 157 1HD1 ILE 157 40.598 22.196 4.857 1333 3HD1 ILE 157 2HD1 ILE 157 42.161 21.594 5.418 1334 H VAL 158 H VAL 158 44.290 24.294 5.950 1335 HA VAL 158 HA VAL 158 46.796 24.258 4.557 1336 HB VAL 158 HB VAL 158 46.427 26.050 6.955 1337 1HG1 VAL 158 1HG1 VAL 158 48.195 24.346 7.484 1338 2HG1 VAL 158 2HG1 VAL 158 49.068 24.869 6.045 1339 3HG1 VAL 158 3HG1 VAL 158 48.817 25.991 7.383 1340 1HG2 VAL 158 3HG2 VAL 158 47.659 26.237 4.215 1341 2HG2 VAL 158 1HG2 VAL 158 46.474 27.299 4.972 1342 3HG2 VAL 158 2HG2 VAL 158 48.158 27.349 5.489 1343 H ALA 159 H ALA 159 44.852 23.740 7.382 1344 HA ALA 159 HA ALA 159 46.284 21.194 7.940 1345 1HB ALA 159 3HB ALA 159 44.925 23.084 9.868 1346 2HB ALA 159 1HB ALA 159 45.536 21.485 10.288 1347 3HB ALA 159 2HB ALA 159 46.655 22.750 9.783 1348 H PHE 160 H PHE 160 44.944 19.511 8.554 1349 HA PHE 160 HA PHE 160 42.889 18.317 8.725 1350 1HB PHE 160 1HB PHE 160 41.836 20.972 8.370 1351 2HB PHE 160 2HB PHE 160 41.113 19.922 7.151 1352 HD1 PHE 160 HD1 PHE 160 42.394 19.117 10.518 1353 HD2 PHE 160 HD2 PHE 160 38.959 19.464 7.992 1354 HE1 PHE 160 HE1 PHE 160 40.987 18.120 12.313 1355 HE2 PHE 160 HE2 PHE 160 37.541 18.461 9.780 1356 HZ PHE 160 HZ PHE 160 38.555 17.795 11.932 1357 H GLU 161 H GLU 161 43.625 20.447 6.088 1358 HA GLU 161 HA GLU 161 43.541 18.214 4.145 1359 1HB GLU 161 1HB GLU 161 42.368 20.590 3.860 1360 2HB GLU 161 2HB GLU 161 43.983 21.077 3.358 1361 1HG GLU 161 1HG GLU 161 42.589 18.650 2.201 1362 2HG GLU 161 2HG GLU 161 42.459 20.252 1.479 1363 H GLY 162 H GLY 162 45.608 20.304 6.016 1364 1HA GLY 162 1HA GLY 162 47.886 19.445 4.259 1365 2HA GLY 162 2HA GLY 162 47.845 21.013 5.029 1366 H CYS 163 H CYS 163 47.922 20.957 7.529 1367 HA CYS 163 HA CYS 163 50.151 19.441 8.329 1368 1HB CYS 163 1HB CYS 163 48.297 21.270 9.670 1369 2HB CYS 163 2HB CYS 163 49.140 20.135 10.725 1370 HG CYS 163 HG CYS 163 51.068 21.669 10.513 1371 HA PRO 164 HA PRO 164 47.681 16.471 11.011 1372 1HB PRO 164 1HB PRO 164 44.955 16.842 11.191 1373 2HB PRO 164 2HB PRO 164 46.130 17.515 12.336 1374 1HG PRO 164 1HG PRO 164 44.651 18.875 10.128 1375 2HG PRO 164 2HG PRO 164 45.228 19.541 11.661 1376 1HD PRO 164 1HD PRO 164 46.533 19.954 9.223 1377 2HD PRO 164 2HD PRO 164 47.298 20.070 10.810 1378 H VAL 165 H VAL 165 45.759 17.606 8.211 1379 HA VAL 165 HA VAL 165 46.036 14.881 7.083 1380 HB VAL 165 HB VAL 165 43.326 15.374 6.563 1381 1HG1 VAL 165 1HG1 VAL 165 44.991 13.432 8.023 1382 2HG1 VAL 165 2HG1 VAL 165 43.311 13.496 8.559 1383 3HG1 VAL 165 3HG1 VAL 165 43.685 13.161 6.868 1384 1HG2 VAL 165 3HG2 VAL 165 43.872 16.845 8.838 1385 2HG2 VAL 165 1HG2 VAL 165 42.298 16.182 8.421 1386 3HG2 VAL 165 2HG2 VAL 165 43.369 15.298 9.506 No H/Q in entry = 1386 Start of MODEL 12 1 1H THR -8 2H THR -8 10.221 22.509 30.934 2 2H THR -8 3H THR -8 11.519 23.356 31.630 3 3H THR -8 1H THR -8 10.169 22.956 32.572 4 HA THR -8 HA THR -8 8.772 24.432 31.318 5 HB THR -8 HB THR -8 10.700 26.463 31.645 6 HG1 THR -8 HG1 THR -8 12.177 25.240 32.608 7 1HG2 THR -8 1HG2 THR -8 8.278 25.473 32.874 8 2HG2 THR -8 2HG2 THR -8 9.401 26.041 34.111 9 3HG2 THR -8 3HG2 THR -8 8.897 27.122 32.812 10 H MET -7 H MET -7 9.722 23.114 29.135 11 HA MET -7 HA MET -7 11.113 25.145 27.458 12 1HB MET -7 1HB MET -7 10.466 22.229 26.916 13 2HB MET -7 2HB MET -7 11.367 23.288 25.830 14 1HG MET -7 1HG MET -7 13.194 23.454 27.309 15 2HG MET -7 2HG MET -7 12.245 22.900 28.688 16 1HE MET -7 3HE MET -7 14.299 22.219 25.698 17 2HE MET -7 1HE MET -7 15.198 21.836 27.173 18 3HE MET -7 2HE MET -7 14.875 20.579 25.983 19 H ILE -6 H ILE -6 10.124 25.902 25.517 20 HA ILE -6 HA ILE -6 7.166 25.701 25.558 21 HB ILE -6 HB ILE -6 7.161 27.646 24.156 22 1HG1 ILE -6 1HG1 ILE -6 10.143 27.163 23.850 23 2HG1 ILE -6 2HG1 ILE -6 8.924 26.955 22.592 24 1HG2 ILE -6 1HG2 ILE -6 9.155 27.642 26.401 25 2HG2 ILE -6 2HG2 ILE -6 8.933 29.106 25.444 26 3HG2 ILE -6 3HG2 ILE -6 7.571 28.411 26.322 27 1HD1 ILE -6 1HD1 ILE -6 8.507 29.548 23.588 28 2HD1 ILE -6 2HD1 ILE -6 10.258 29.382 23.459 29 3HD1 ILE -6 3HD1 ILE -6 9.240 29.117 22.044 30 H THR -5 H THR -5 5.993 24.771 23.920 31 HA THR -5 HA THR -5 7.554 23.353 21.816 32 HB THR -5 HB THR -5 5.173 22.249 21.508 33 HG1 THR -5 HG1 THR -5 4.664 22.381 24.093 34 1HG2 THR -5 1HG2 THR -5 7.296 21.198 22.390 35 2HG2 THR -5 2HG2 THR -5 6.773 21.662 24.009 36 3HG2 THR -5 3HG2 THR -5 5.811 20.525 23.065 37 HA PRO -4 HA PRO -4 6.001 26.315 18.934 38 1HB PRO -4 1HB PRO -4 6.680 24.947 16.649 39 2HB PRO -4 2HB PRO -4 7.843 25.844 17.640 40 1HG PRO -4 1HG PRO -4 7.417 22.893 17.445 41 2HG PRO -4 2HG PRO -4 8.893 23.791 17.838 42 1HD PRO -4 1HD PRO -4 7.234 22.495 19.708 43 2HD PRO -4 2HD PRO -4 8.458 23.725 20.094 44 H SER -3 H SER -3 4.591 26.201 16.819 45 HA SER -3 HA SER -3 2.353 24.297 17.358 46 1HB SER -3 1HB SER -3 2.176 26.957 17.336 47 2HB SER -3 2HB SER -3 2.031 26.696 15.601 48 HG SER -3 HG SER -3 -0.003 26.456 16.254 49 H SER -2 H SER -2 1.030 24.540 14.910 50 HA SER -2 HA SER -2 1.015 23.592 12.763 51 1HB SER -2 1HB SER -2 3.857 24.637 12.845 52 2HB SER -2 2HB SER -2 3.099 23.973 11.401 53 HG SER -2 HG SER -2 1.357 25.625 12.117 54 H GLY -1 H GLY -1 2.606 22.001 11.352 55 1HA GLY -1 1HA GLY -1 3.620 19.940 13.269 56 2HA GLY -1 2HA GLY -1 2.644 19.498 11.867 57 H ASN 0 H ASN 0 4.729 18.169 11.498 58 HA ASN 0 HA ASN 0 6.826 19.843 10.182 59 1HB ASN 0 1HB ASN 0 8.077 17.563 10.222 60 2HB ASN 0 2HB ASN 0 7.898 18.444 11.739 61 1HD2 ASN 0 2HD2 ASN 0 5.488 15.150 11.166 62 2HD2 ASN 0 1HD2 ASN 0 5.965 16.060 9.815 63 H SER 1 H SER 1 4.154 17.876 9.515 64 HA SER 1 HA SER 1 4.747 16.352 7.287 65 1HB SER 1 1HB SER 1 2.403 18.241 7.199 66 2HB SER 1 2HB SER 1 2.499 16.577 6.627 67 HG SER 1 HG SER 1 1.405 16.593 8.573 68 H ALA 2 H ALA 2 5.553 16.754 5.264 69 HA ALA 2 HA ALA 2 6.430 17.972 3.461 70 1HB ALA 2 3HB ALA 2 3.830 18.905 3.900 71 2HB ALA 2 1HB ALA 2 4.806 20.370 3.792 72 3HB ALA 2 2HB ALA 2 4.817 19.203 2.471 73 H SER 3 H SER 3 7.851 18.188 5.813 74 HA SER 3 HA SER 3 9.381 19.537 6.966 75 1HB SER 3 1HB SER 3 10.547 21.192 5.574 76 2HB SER 3 2HB SER 3 10.313 19.690 4.688 77 HG SER 3 HG SER 3 9.169 20.767 3.305 78 H GLY 4 H GLY 4 8.259 20.446 8.634 79 1HA GLY 4 1HA GLY 4 7.021 23.118 8.112 80 2HA GLY 4 2HA GLY 4 6.355 21.977 9.280 81 H VAL 5 H VAL 5 9.364 21.321 9.865 82 HA VAL 5 HA VAL 5 9.655 22.594 12.311 83 HB VAL 5 HB VAL 5 11.467 21.270 12.169 84 1HG1 VAL 5 2HG1 VAL 5 11.389 21.823 9.202 85 2HG1 VAL 5 3HG1 VAL 5 12.650 20.841 9.950 86 3HG1 VAL 5 1HG1 VAL 5 10.964 20.327 10.037 87 1HG2 VAL 5 1HG2 VAL 5 12.505 23.481 12.434 88 2HG2 VAL 5 2HG2 VAL 5 13.551 22.412 11.500 89 3HG2 VAL 5 3HG2 VAL 5 12.603 23.651 10.679 90 H GLN 6 H GLN 6 10.991 24.414 12.949 91 HA GLN 6 HA GLN 6 11.185 26.559 10.927 92 1HB GLN 6 1HB GLN 6 9.854 28.036 12.343 93 2HB GLN 6 2HB GLN 6 8.942 26.557 11.989 94 1HG GLN 6 1HG GLN 6 10.393 25.763 14.092 95 2HG GLN 6 2HG GLN 6 10.103 27.453 14.525 96 1HE2 GLN 6 2HE2 GLN 6 6.833 25.025 13.978 97 2HE2 GLN 6 1HE2 GLN 6 8.225 24.762 13.050 98 H VAL 7 H VAL 7 13.450 25.276 12.269 99 HA VAL 7 HA VAL 7 15.261 25.816 13.690 100 HB VAL 7 HB VAL 7 16.170 27.513 12.597 101 1HG1 VAL 7 1HG1 VAL 7 14.205 27.141 11.060 102 2HG1 VAL 7 2HG1 VAL 7 13.460 28.554 11.810 103 3HG1 VAL 7 3HG1 VAL 7 14.984 28.718 10.936 104 1HG2 VAL 7 3HG2 VAL 7 14.265 29.085 14.311 105 2HG2 VAL 7 1HG2 VAL 7 16.025 28.980 14.399 106 3HG2 VAL 7 2HG2 VAL 7 15.259 29.907 13.114 107 H ALA 8 H ALA 8 15.820 27.520 15.577 108 HA ALA 8 HA ALA 8 13.355 27.676 17.260 109 1HB ALA 8 2HB ALA 8 14.968 25.589 17.336 110 2HB ALA 8 3HB ALA 8 15.956 26.662 18.339 111 3HB ALA 8 1HB ALA 8 14.304 26.257 18.842 112 H ASP 9 H ASP 9 15.766 29.474 16.047 113 HA ASP 9 HA ASP 9 16.512 31.622 16.664 114 1HB ASP 9 1HB ASP 9 15.491 31.082 19.454 115 2HB ASP 9 2HB ASP 9 15.887 32.631 18.717 116 H GLU 10 H GLU 10 16.950 28.828 18.797 117 HA GLU 10 HA GLU 10 19.395 29.649 19.991 118 1HB GLU 10 1HB GLU 10 19.041 27.647 21.002 119 2HB GLU 10 2HB GLU 10 17.783 27.260 19.834 120 1HG GLU 10 1HG GLU 10 19.347 26.249 18.340 121 2HG GLU 10 2HG GLU 10 20.727 26.893 19.236 122 H VAL 11 H VAL 11 18.388 28.664 16.829 123 HA VAL 11 HA VAL 11 20.896 27.845 15.697 124 HB VAL 11 HB VAL 11 19.887 28.581 13.531 125 1HG1 VAL 11 2HG1 VAL 11 18.217 27.012 15.478 126 2HG1 VAL 11 3HG1 VAL 11 17.776 27.183 13.779 127 3HG1 VAL 11 1HG1 VAL 11 19.302 26.413 14.219 128 1HG2 VAL 11 2HG2 VAL 11 17.666 29.600 15.337 129 2HG2 VAL 11 3HG2 VAL 11 18.749 30.605 14.374 130 3HG2 VAL 11 1HG2 VAL 11 17.602 29.531 13.576 131 H CYS 12 H CYS 12 19.364 31.050 16.108 132 HA CYS 12 HA CYS 12 21.507 32.468 14.772 133 1HB CYS 12 1HB CYS 12 19.149 33.207 16.454 134 2HB CYS 12 2HB CYS 12 20.456 34.386 16.340 135 HG CYS 12 HG CYS 12 18.480 33.807 14.153 136 H ARG 13 H ARG 13 21.509 30.765 17.618 137 HA ARG 13 HA ARG 13 23.703 32.451 18.733 138 1HB ARG 13 1HB ARG 13 22.129 30.361 20.241 139 2HB ARG 13 2HB ARG 13 23.373 31.447 20.884 140 1HG ARG 13 1HG ARG 13 21.503 33.139 19.645 141 2HG ARG 13 2HG ARG 13 20.527 31.934 20.491 142 1HD ARG 13 1HD ARG 13 21.901 32.325 22.538 143 2HD ARG 13 2HD ARG 13 22.739 33.621 21.681 144 HE ARG 13 HE ARG 13 19.781 33.776 21.918 145 1HH1 ARG 13 1HH2 ARG 13 21.501 36.046 20.965 146 2HH1 ARG 13 2HH2 ARG 13 21.608 37.033 22.385 147 1HH2 ARG 13 1HH1 ARG 13 20.536 34.519 24.527 148 2HH2 ARG 13 2HH1 ARG 13 21.063 36.165 24.409 149 H ILE 14 H ILE 14 22.863 29.633 17.098 150 HA ILE 14 HA ILE 14 25.068 28.121 18.241 151 HB ILE 14 HB ILE 14 23.212 27.449 15.934 152 1HG1 ILE 14 1HG1 ILE 14 23.178 25.924 18.490 153 2HG1 ILE 14 2HG1 ILE 14 22.431 27.514 18.496 154 1HG2 ILE 14 2HG2 ILE 14 25.661 26.224 16.899 155 2HG2 ILE 14 3HG2 ILE 14 24.299 25.113 17.083 156 3HG2 ILE 14 1HG2 ILE 14 24.686 25.783 15.495 157 1HD1 ILE 14 1HD1 ILE 14 21.746 25.935 16.105 158 2HD1 ILE 14 2HD1 ILE 14 21.217 25.182 17.613 159 3HD1 ILE 14 3HD1 ILE 14 20.686 26.810 17.211 160 H PHE 15 H PHE 15 24.101 29.300 15.051 161 HA PHE 15 HA PHE 15 26.665 29.016 13.796 162 1HB PHE 15 1HB PHE 15 25.414 29.851 12.080 163 2HB PHE 15 2HB PHE 15 24.108 30.243 13.218 164 HD1 PHE 15 HD1 PHE 15 23.967 32.411 14.284 165 HD2 PHE 15 HD2 PHE 15 27.096 31.492 11.509 166 HE1 PHE 15 HE1 PHE 15 24.543 34.810 14.156 167 HE2 PHE 15 HE2 PHE 15 27.680 33.904 11.360 168 HZ PHE 15 HZ PHE 15 26.400 35.569 12.688 169 H TYR 16 H TYR 16 25.277 31.135 16.104 170 HA TYR 16 HA TYR 16 27.321 33.227 15.957 171 1HB TYR 16 1HB TYR 16 25.224 34.127 16.385 172 2HB TYR 16 2HB TYR 16 24.691 32.627 17.199 173 HD1 TYR 16 HD2 TYR 16 25.378 32.122 19.462 174 HD2 TYR 16 HD1 TYR 16 26.383 35.872 17.667 175 HE1 TYR 16 HE2 TYR 16 25.986 32.971 21.646 176 HE2 TYR 16 HE1 TYR 16 26.988 36.762 19.900 177 HH TYR 16 HH TYR 16 27.184 36.316 22.073 178 H ASP 17 H ASP 17 26.512 30.354 17.758 179 HA ASP 17 HA ASP 17 27.627 31.126 20.293 180 1HB ASP 17 1HB ASP 17 26.578 28.699 19.083 181 2HB ASP 17 2HB ASP 17 28.019 28.354 20.033 182 H MET 18 H MET 18 28.960 30.536 17.295 183 HA MET 18 HA MET 18 31.541 29.550 18.254 184 1HB MET 18 1HB MET 18 30.048 29.574 15.797 185 2HB MET 18 2HB MET 18 31.805 29.569 15.645 186 1HG MET 18 1HG MET 18 30.458 27.286 15.912 187 2HG MET 18 2HG MET 18 32.021 27.511 16.677 188 1HE MET 18 3HE MET 18 29.604 25.635 17.084 189 2HE MET 18 1HE MET 18 28.666 25.839 18.570 190 3HE MET 18 2HE MET 18 28.295 26.822 17.152 191 H LYS 19 H LYS 19 31.490 31.320 15.306 192 HA LYS 19 HA LYS 19 32.609 33.229 14.612 193 1HB LYS 19 1HB LYS 19 31.407 34.001 17.197 194 2HB LYS 19 2HB LYS 19 32.760 34.981 16.632 195 1HG LYS 19 1HG LYS 19 30.470 35.770 15.851 196 2HG LYS 19 2HG LYS 19 31.657 35.509 14.576 197 1HD LYS 19 1HD LYS 19 30.466 33.017 14.811 198 2HD LYS 19 2HD LYS 19 29.119 34.120 15.076 199 1HE LYS 19 1HE LYS 19 30.942 33.956 12.671 200 2HE LYS 19 2HE LYS 19 29.183 33.817 12.712 201 1HZ LYS 19 1HZ LYS 19 29.564 36.231 13.803 202 2HZ LYS 19 2HZ LYS 19 30.857 36.180 12.708 203 3HZ LYS 19 3HZ LYS 19 29.266 35.969 12.151 204 H VAL 20 H VAL 20 34.588 32.777 14.296 205 HA VAL 20 HA VAL 20 36.773 31.846 14.902 206 HB VAL 20 HB VAL 20 37.031 34.020 13.925 207 1HG1 VAL 20 3HG1 VAL 20 35.292 35.082 15.405 208 2HG1 VAL 20 1HG1 VAL 20 36.512 35.176 16.677 209 3HG1 VAL 20 2HG1 VAL 20 36.738 36.071 15.174 210 1HG2 VAL 20 2HG2 VAL 20 38.847 32.933 15.643 211 2HG2 VAL 20 3HG2 VAL 20 39.156 34.380 14.683 212 3HG2 VAL 20 1HG2 VAL 20 38.637 34.528 16.363 213 H ARG 21 H ARG 21 35.624 30.776 16.996 214 HA ARG 21 HA ARG 21 35.897 30.206 19.257 215 1HB ARG 21 1HB ARG 21 38.444 31.713 18.656 216 2HB ARG 21 2HB ARG 21 38.118 31.069 20.266 217 1HG ARG 21 1HG ARG 21 37.504 28.911 18.741 218 2HG ARG 21 2HG ARG 21 38.773 29.640 17.758 219 1HD ARG 21 1HD ARG 21 39.354 29.540 20.655 220 2HD ARG 21 2HD ARG 21 39.248 27.967 19.868 221 HE ARG 21 HE ARG 21 40.914 29.072 18.162 222 1HH1 ARG 21 1HH2 ARG 21 41.835 31.459 19.122 223 2HH1 ARG 21 2HH2 ARG 21 42.995 31.111 20.360 224 1HH2 ARG 21 1HH1 ARG 21 41.929 27.847 20.820 225 2HH2 ARG 21 2HH1 ARG 21 43.051 29.070 21.317 226 H LYS 22 H LYS 22 37.585 33.250 19.589 227 HA LYS 22 HA LYS 22 37.096 35.135 20.885 228 1HB LYS 22 1HB LYS 22 34.994 34.741 19.066 229 2HB LYS 22 2HB LYS 22 34.208 35.067 20.613 230 1HG LYS 22 1HG LYS 22 35.628 37.075 20.896 231 2HG LYS 22 2HG LYS 22 36.374 36.756 19.331 232 1HD LYS 22 1HD LYS 22 34.729 38.242 18.677 233 2HD LYS 22 2HD LYS 22 33.832 36.729 18.527 234 1HE LYS 22 1HE LYS 22 33.059 37.067 20.916 235 2HE LYS 22 2HE LYS 22 33.772 38.678 20.845 236 1HZ LYS 22 1HZ LYS 22 31.723 37.661 18.954 237 2HZ LYS 22 2HZ LYS 22 31.388 38.647 20.293 238 3HZ LYS 22 3HZ LYS 22 32.348 39.239 19.022 239 H CYS 23 H CYS 23 37.597 34.286 22.929 240 HA CYS 23 HA CYS 23 35.228 33.558 24.575 241 1HB CYS 23 1HB CYS 23 37.455 32.152 25.601 242 2HB CYS 23 2HB CYS 23 35.970 31.487 24.913 243 HG CYS 23 HG CYS 23 37.752 30.618 23.307 244 H SER 24 H SER 24 35.128 35.378 25.910 245 HA SER 24 HA SER 24 36.983 37.208 26.754 246 1HB SER 24 1HB SER 24 34.553 36.268 27.797 247 2HB SER 24 2HB SER 24 35.706 36.034 29.115 248 HG SER 24 HG SER 24 34.589 38.311 28.184 249 H THR 25 H THR 25 36.318 34.306 28.358 250 HA THR 25 HA THR 25 39.111 33.530 28.677 251 HB THR 25 HB THR 25 38.162 34.872 30.786 252 HG1 THR 25 HG1 THR 25 39.831 32.796 30.442 253 1HG2 THR 25 1HG2 THR 25 36.079 33.574 30.803 254 2HG2 THR 25 2HG2 THR 25 37.021 32.100 31.088 255 3HG2 THR 25 3HG2 THR 25 36.978 33.372 32.316 256 HA PRO 26 HA PRO 26 36.470 30.428 27.029 257 1HB PRO 26 1HB PRO 26 38.421 28.452 26.831 258 2HB PRO 26 2HB PRO 26 38.170 29.752 25.651 259 1HG PRO 26 1HG PRO 26 40.258 29.523 27.794 260 2HG PRO 26 2HG PRO 26 40.366 30.296 26.199 261 1HD PRO 26 1HD PRO 26 39.991 31.703 28.587 262 2HD PRO 26 2HD PRO 26 39.511 32.309 26.985 263 H GLU 27 H GLU 27 38.001 30.383 30.067 264 HA GLU 27 HA GLU 27 37.575 27.835 31.113 265 1HB GLU 27 1HB GLU 27 37.023 30.546 32.347 266 2HB GLU 27 2HB GLU 27 36.934 29.040 33.261 267 1HG GLU 27 1HG GLU 27 39.244 28.594 32.968 268 2HG GLU 27 2HG GLU 27 39.390 29.774 31.664 269 H GLU 28 H GLU 28 35.217 30.081 29.853 270 HA GLU 28 HA GLU 28 33.114 28.189 30.538 271 1HB GLU 28 1HB GLU 28 31.616 30.220 30.810 272 2HB GLU 28 2HB GLU 28 32.831 30.052 32.062 273 1HG GLU 28 1HG GLU 28 34.295 31.577 30.500 274 2HG GLU 28 2HG GLU 28 32.741 32.016 29.787 275 H ILE 29 H ILE 29 34.729 30.335 28.319 276 HA ILE 29 HA ILE 29 32.754 29.569 26.327 277 HB ILE 29 HB ILE 29 33.527 31.522 24.966 278 1HG1 ILE 29 1HG1 ILE 29 35.536 31.848 26.689 279 2HG1 ILE 29 2HG1 ILE 29 34.677 33.243 26.075 280 1HG2 ILE 29 1HG2 ILE 29 32.087 31.032 27.483 281 2HG2 ILE 29 2HG2 ILE 29 32.171 32.750 27.006 282 3HG2 ILE 29 3HG2 ILE 29 31.436 31.568 25.910 283 1HD1 ILE 29 3HD1 ILE 29 33.180 33.145 28.073 284 2HD1 ILE 29 1HD1 ILE 29 34.221 31.881 28.695 285 3HD1 ILE 29 2HD1 ILE 29 34.856 33.481 28.453 286 H LYS 30 H LYS 30 33.756 27.988 26.928 287 HA LYS 30 HA LYS 30 35.179 26.587 24.867 288 1HB LYS 30 1HB LYS 30 37.100 26.050 26.007 289 2HB LYS 30 2HB LYS 30 36.744 27.512 26.914 290 1HG LYS 30 1HG LYS 30 35.509 26.212 28.588 291 2HG LYS 30 2HG LYS 30 35.814 24.732 27.679 292 1HD LYS 30 1HD LYS 30 38.108 26.464 28.574 293 2HD LYS 30 2HD LYS 30 37.381 25.300 29.681 294 1HE LYS 30 1HE LYS 30 38.175 24.425 26.916 295 2HE LYS 30 2HE LYS 30 39.398 24.550 28.180 296 1HZ LYS 30 3HZ LYS 30 36.866 23.051 28.528 297 2HZ LYS 30 1HZ LYS 30 38.296 22.329 27.965 298 3HZ LYS 30 2HZ LYS 30 38.247 23.013 29.519 299 H LYS 31 H LYS 31 33.447 26.885 27.887 300 HA LYS 31 HA LYS 31 32.258 24.154 27.486 301 1HB LYS 31 1HB LYS 31 33.653 24.310 29.561 302 2HB LYS 31 2HB LYS 31 32.680 25.681 30.094 303 1HG LYS 31 1HG LYS 31 30.956 24.358 30.742 304 2HG LYS 31 2HG LYS 31 31.096 23.326 29.318 305 1HD LYS 31 1HD LYS 31 33.395 22.692 30.645 306 2HD LYS 31 2HD LYS 31 32.305 23.015 31.995 307 1HE LYS 31 1HE LYS 31 31.311 21.334 29.726 308 2HE LYS 31 2HE LYS 31 32.410 20.605 30.898 309 1HZ LYS 31 2HZ LYS 31 30.747 21.834 32.538 310 2HZ LYS 31 3HZ LYS 31 29.678 21.548 31.248 311 3HZ LYS 31 1HZ LYS 31 30.486 20.251 31.992 312 H ARG 32 H ARG 32 31.671 27.142 26.693 313 HA ARG 32 HA ARG 32 29.109 27.669 28.094 314 1HB ARG 32 1HB ARG 32 31.020 29.234 26.698 315 2HB ARG 32 2HB ARG 32 29.523 29.327 25.801 316 1HG ARG 32 1HG ARG 32 29.447 31.107 27.395 317 2HG ARG 32 2HG ARG 32 28.355 29.857 27.983 318 1HD ARG 32 1HD ARG 32 30.330 28.993 29.367 319 2HD ARG 32 2HD ARG 32 31.141 30.514 28.980 320 HE ARG 32 HE ARG 32 29.614 30.551 31.107 321 1HH1 ARG 32 1HH2 ARG 32 29.604 32.675 28.686 322 2HH1 ARG 32 2HH2 ARG 32 27.946 33.162 28.791 323 1HH2 ARG 32 1HH1 ARG 32 27.042 30.557 30.896 324 2HH2 ARG 32 2HH1 ARG 32 26.492 31.962 30.044 325 H LYS 33 H LYS 33 29.770 25.567 25.800 326 HA LYS 33 HA LYS 33 28.345 24.491 24.232 327 1HB LYS 33 1HB LYS 33 26.407 25.317 25.627 328 2HB LYS 33 2HB LYS 33 26.428 26.808 24.689 329 1HG LYS 33 1HG LYS 33 26.414 24.967 22.688 330 2HG LYS 33 2HG LYS 33 25.466 24.130 23.920 331 1HD LYS 33 1HD LYS 33 24.813 26.990 23.611 332 2HD LYS 33 2HD LYS 33 24.437 25.998 22.200 333 1HE LYS 33 1HE LYS 33 22.637 25.151 23.246 334 2HE LYS 33 2HE LYS 33 23.653 24.580 24.571 335 1HZ LYS 33 1HZ LYS 33 23.391 27.358 24.783 336 2HZ LYS 33 2HZ LYS 33 21.837 26.702 24.582 337 3HZ LYS 33 3HZ LYS 33 22.827 26.161 25.849 338 H LYS 34 H LYS 34 29.763 24.869 22.540 339 HA LYS 34 HA LYS 34 29.050 26.975 20.660 340 1HB LYS 34 1HB LYS 34 31.877 27.165 20.852 341 2HB LYS 34 2HB LYS 34 30.684 28.396 21.220 342 1HG LYS 34 1HG LYS 34 30.452 27.611 23.487 343 2HG LYS 34 2HG LYS 34 31.503 26.236 23.158 344 1HD LYS 34 1HD LYS 34 33.148 27.595 23.967 345 2HD LYS 34 2HD LYS 34 33.093 28.320 22.361 346 1HE LYS 34 1HE LYS 34 31.412 29.251 24.706 347 2HE LYS 34 2HE LYS 34 32.927 30.000 24.212 348 1HZ LYS 34 3HZ LYS 34 31.894 30.280 21.968 349 2HZ LYS 34 1HZ LYS 34 30.414 29.806 22.654 350 3HZ LYS 34 2HZ LYS 34 31.192 31.216 23.197 351 H ALA 35 H ALA 35 28.757 24.374 20.669 352 HA ALA 35 HA ALA 35 29.686 23.521 18.156 353 1HB ALA 35 3HB ALA 35 31.158 22.560 20.523 354 2HB ALA 35 1HB ALA 35 30.465 21.260 19.543 355 3HB ALA 35 2HB ALA 35 31.574 22.435 18.828 356 H VAL 36 H VAL 36 27.883 22.195 17.486 357 HA VAL 36 HA VAL 36 26.235 21.086 19.698 358 HB VAL 36 HB VAL 36 24.444 22.737 18.598 359 1HG1 VAL 36 3HG1 VAL 36 24.939 22.439 21.038 360 2HG1 VAL 36 1HG1 VAL 36 26.233 23.625 20.860 361 3HG1 VAL 36 2HG1 VAL 36 24.560 24.092 20.573 362 1HG2 VAL 36 1HG2 VAL 36 27.086 24.205 18.532 363 2HG2 VAL 36 2HG2 VAL 36 26.045 23.857 17.148 364 3HG2 VAL 36 3HG2 VAL 36 25.519 24.978 18.410 365 H ILE 37 H ILE 37 25.073 19.380 18.877 366 HA ILE 37 HA ILE 37 24.245 19.596 16.049 367 HB ILE 37 HB ILE 37 23.848 16.970 17.020 368 1HG1 ILE 37 1HG1 ILE 37 26.533 18.250 17.659 369 2HG1 ILE 37 2HG1 ILE 37 25.418 17.560 18.815 370 1HG2 ILE 37 2HG2 ILE 37 24.470 18.143 14.780 371 2HG2 ILE 37 3HG2 ILE 37 26.131 18.056 15.424 372 3HG2 ILE 37 1HG2 ILE 37 25.217 16.564 15.135 373 1HD1 ILE 37 3HD1 ILE 37 25.704 15.449 17.184 374 2HD1 ILE 37 1HD1 ILE 37 27.264 16.232 16.948 375 3HD1 ILE 37 2HD1 ILE 37 26.765 15.727 18.569 376 H PHE 38 H PHE 38 22.349 20.436 16.007 377 HA PHE 38 HA PHE 38 20.313 19.775 18.054 378 1HB PHE 38 1HB PHE 38 19.184 21.495 16.093 379 2HB PHE 38 2HB PHE 38 19.752 21.962 17.696 380 HD1 PHE 38 HD2 PHE 38 22.574 22.134 17.737 381 HD2 PHE 38 HD1 PHE 38 19.949 22.766 14.394 382 HE1 PHE 38 HE2 PHE 38 24.295 23.470 16.645 383 HE2 PHE 38 HE1 PHE 38 21.705 24.150 13.324 384 HZ PHE 38 HZ PHE 38 23.859 24.491 14.445 385 H CYS 39 H CYS 39 17.997 19.742 16.587 386 HA CYS 39 HA CYS 39 18.323 18.286 14.108 387 1HB CYS 39 1HB CYS 39 18.503 16.231 15.193 388 2HB CYS 39 2HB CYS 39 17.595 16.793 16.608 389 HG CYS 39 HG CYS 39 16.179 15.153 14.957 390 H LEU 40 H LEU 40 15.920 18.231 16.652 391 HA LEU 40 HA LEU 40 14.219 20.248 15.520 392 1HB LEU 40 1HB LEU 40 13.320 17.367 15.195 393 2HB LEU 40 2HB LEU 40 12.295 18.771 14.933 394 HG LEU 40 HG LEU 40 14.784 18.041 13.362 395 1HD1 LEU 40 1HD1 LEU 40 12.794 16.679 12.840 396 2HD1 LEU 40 2HD1 LEU 40 11.867 18.154 12.559 397 3HD1 LEU 40 3HD1 LEU 40 13.218 17.746 11.500 398 1HD2 LEU 40 2HD2 LEU 40 14.056 20.582 13.833 399 2HD2 LEU 40 3HD2 LEU 40 14.634 20.066 12.243 400 3HD2 LEU 40 1HD2 LEU 40 12.906 20.216 12.545 401 H SER 41 H SER 41 12.676 20.850 17.069 402 HA SER 41 HA SER 41 12.960 20.530 19.718 403 1HB SER 41 1HB SER 41 10.885 21.420 18.044 404 2HB SER 41 2HB SER 41 10.132 20.321 19.195 405 HG SER 41 HG SER 41 11.341 22.779 19.579 406 H ALA 42 H ALA 42 11.593 19.218 21.345 407 HA ALA 42 HA ALA 42 12.040 16.433 20.969 408 1HB ALA 42 3HB ALA 42 10.823 18.132 22.992 409 2HB ALA 42 1HB ALA 42 9.920 16.630 22.795 410 3HB ALA 42 2HB ALA 42 11.640 16.582 23.188 411 H ASP 43 H ASP 43 9.267 18.481 20.277 412 HA ASP 43 HA ASP 43 7.526 16.252 19.542 413 1HB ASP 43 1HB ASP 43 7.381 19.204 19.607 414 2HB ASP 43 2HB ASP 43 6.495 18.464 18.274 415 H LYS 44 H LYS 44 9.987 18.170 18.141 416 HA LYS 44 HA LYS 44 11.193 17.803 16.197 417 1HB LYS 44 1HB LYS 44 9.629 15.482 16.287 418 2HB LYS 44 2HB LYS 44 9.389 16.146 14.667 419 1HG LYS 44 1HG LYS 44 11.361 14.676 14.695 420 2HG LYS 44 2HG LYS 44 11.842 16.350 14.404 421 1HD LYS 44 1HD LYS 44 13.378 15.730 16.059 422 2HD LYS 44 2HD LYS 44 12.080 16.429 17.035 423 1HE LYS 44 1HE LYS 44 11.121 14.002 17.058 424 2HE LYS 44 2HE LYS 44 12.759 13.533 16.600 425 1HZ LYS 44 1HZ LYS 44 13.397 15.098 18.555 426 2HZ LYS 44 2HZ LYS 44 11.809 14.796 19.077 427 3HZ LYS 44 3HZ LYS 44 12.900 13.509 18.873 428 H LYS 45 H LYS 45 10.874 19.838 15.852 429 HA LYS 45 HA LYS 45 9.482 20.603 13.424 430 1HB LYS 45 1HB LYS 45 8.750 21.340 16.228 431 2HB LYS 45 2HB LYS 45 8.618 22.605 14.994 432 1HG LYS 45 1HG LYS 45 6.849 21.599 13.968 433 2HG LYS 45 2HG LYS 45 7.490 19.984 14.259 434 1HD LYS 45 1HD LYS 45 6.917 20.408 16.740 435 2HD LYS 45 2HD LYS 45 5.926 21.740 16.144 436 1HE LYS 45 1HE LYS 45 4.551 20.271 14.860 437 2HE LYS 45 2HE LYS 45 5.674 18.927 15.068 438 1HZ LYS 45 3HZ LYS 45 4.588 20.164 17.478 439 2HZ LYS 45 1HZ LYS 45 3.538 19.192 16.560 440 3HZ LYS 45 2HZ LYS 45 4.982 18.542 17.174 441 H CYS 46 H CYS 46 10.072 23.335 15.154 442 HA CYS 46 HA CYS 46 12.150 24.623 14.209 443 1HB CYS 46 1HB CYS 46 12.058 23.752 17.124 444 2HB CYS 46 2HB CYS 46 13.036 25.089 16.505 445 HG CYS 46 HG CYS 46 10.894 26.460 16.089 446 H ILE 47 H ILE 47 14.352 24.321 13.771 447 HA ILE 47 HA ILE 47 15.698 21.837 13.901 448 HB ILE 47 HB ILE 47 16.397 24.438 13.195 449 1HG1 ILE 47 1HG1 ILE 47 18.809 23.375 13.104 450 2HG1 ILE 47 2HG1 ILE 47 17.966 21.898 13.578 451 1HG2 ILE 47 1HG2 ILE 47 16.740 24.953 15.580 452 2HG2 ILE 47 2HG2 ILE 47 17.928 23.644 15.693 453 3HG2 ILE 47 3HG2 ILE 47 18.253 25.033 14.679 454 1HD1 ILE 47 2HD1 ILE 47 16.317 22.665 11.636 455 2HD1 ILE 47 3HD1 ILE 47 17.774 23.490 11.066 456 3HD1 ILE 47 1HD1 ILE 47 17.791 21.726 11.304 457 H ILE 48 H ILE 48 17.320 21.235 15.884 458 HA ILE 48 HA ILE 48 16.799 22.853 18.216 459 HB ILE 48 HB ILE 48 14.809 21.189 17.490 460 1HG1 ILE 48 1HG1 ILE 48 15.040 23.235 19.063 461 2HG1 ILE 48 2HG1 ILE 48 13.769 22.059 19.417 462 1HG2 ILE 48 3HG2 ILE 48 16.340 19.949 19.789 463 2HG2 ILE 48 1HG2 ILE 48 14.688 19.528 19.349 464 3HG2 ILE 48 2HG2 ILE 48 16.009 19.196 18.233 465 1HD1 ILE 48 3HD1 ILE 48 16.460 21.464 20.448 466 2HD1 ILE 48 1HD1 ILE 48 15.596 22.788 21.243 467 3HD1 ILE 48 2HD1 ILE 48 14.879 21.174 21.184 468 H VAL 49 H VAL 49 18.055 22.631 19.704 469 HA VAL 49 HA VAL 49 20.121 20.493 19.730 470 HB VAL 49 HB VAL 49 19.767 23.078 21.226 471 1HG1 VAL 49 3HG1 VAL 49 21.139 20.667 22.081 472 2HG1 VAL 49 1HG1 VAL 49 22.264 22.016 21.900 473 3HG1 VAL 49 2HG1 VAL 49 20.872 22.166 22.972 474 1HG2 VAL 49 3HG2 VAL 49 21.760 21.948 19.278 475 2HG2 VAL 49 1HG2 VAL 49 20.757 23.388 19.082 476 3HG2 VAL 49 2HG2 VAL 49 22.104 23.394 20.224 477 H GLU 50 H GLU 50 18.262 18.937 20.314 478 HA GLU 50 HA GLU 50 18.014 18.861 23.279 479 1HB GLU 50 1HB GLU 50 15.940 19.856 22.398 480 2HB GLU 50 2HB GLU 50 15.728 18.473 21.328 481 1HG GLU 50 1HG GLU 50 15.201 17.022 23.084 482 2HG GLU 50 2HG GLU 50 16.029 18.016 24.284 483 H GLU 51 H GLU 51 19.712 17.311 21.507 484 HA GLU 51 HA GLU 51 18.444 14.632 21.808 485 1HB GLU 51 1HB GLU 51 20.871 14.913 20.175 486 2HB GLU 51 2HB GLU 51 19.409 13.990 19.834 487 1HG GLU 51 1HG GLU 51 19.796 16.982 19.549 488 2HG GLU 51 2HG GLU 51 19.543 15.820 18.243 489 H GLY 52 H GLY 52 20.547 16.648 23.221 490 1HA GLY 52 1HA GLY 52 21.994 16.256 25.052 491 2HA GLY 52 2HA GLY 52 21.804 14.521 24.782 492 H LYS 53 H LYS 53 22.689 16.713 22.188 493 HA LYS 53 HA LYS 53 25.303 15.336 21.992 494 1HB LYS 53 1HB LYS 53 24.099 17.147 19.903 495 2HB LYS 53 2HB LYS 53 25.185 15.775 19.674 496 1HG LYS 53 1HG LYS 53 22.613 15.032 20.880 497 2HG LYS 53 2HG LYS 53 22.452 15.769 19.289 498 1HD LYS 53 1HD LYS 53 22.725 13.425 18.890 499 2HD LYS 53 2HD LYS 53 24.292 14.151 18.515 500 1HE LYS 53 1HE LYS 53 25.306 13.096 20.250 501 2HE LYS 53 2HE LYS 53 24.008 13.512 21.358 502 1HZ LYS 53 3HZ LYS 53 23.661 11.395 19.329 503 2HZ LYS 53 1HZ LYS 53 24.363 11.061 20.838 504 3HZ LYS 53 2HZ LYS 53 22.776 11.653 20.755 505 H GLU 54 H GLU 54 26.238 17.387 20.247 506 HA GLU 54 HA GLU 54 27.037 19.610 20.145 507 1HB GLU 54 1HB GLU 54 26.183 21.194 21.507 508 2HB GLU 54 2HB GLU 54 25.100 19.919 22.064 509 1HG GLU 54 1HG GLU 54 26.845 19.309 23.784 510 2HG GLU 54 2HG GLU 54 27.754 20.745 23.303 511 H ILE 55 H ILE 55 29.008 20.419 20.558 512 HA ILE 55 HA ILE 55 30.626 19.168 22.726 513 HB ILE 55 HB ILE 55 31.151 19.611 19.895 514 1HG1 ILE 55 1HG1 ILE 55 32.741 18.186 21.979 515 2HG1 ILE 55 2HG1 ILE 55 31.267 17.499 21.262 516 1HG2 ILE 55 3HG2 ILE 55 33.034 20.630 21.998 517 2HG2 ILE 55 1HG2 ILE 55 33.626 19.932 20.496 518 3HG2 ILE 55 2HG2 ILE 55 32.618 21.372 20.453 519 1HD1 ILE 55 2HD1 ILE 55 32.626 18.608 19.162 520 2HD1 ILE 55 3HD1 ILE 55 33.888 17.828 20.117 521 3HD1 ILE 55 1HD1 ILE 55 32.514 16.899 19.537 522 H LEU 56 H LEU 56 32.188 20.987 23.600 523 HA LEU 56 HA LEU 56 30.811 23.593 23.170 524 1HB LEU 56 1HB LEU 56 32.378 23.461 25.627 525 2HB LEU 56 2HB LEU 56 30.755 24.065 25.374 526 HG LEU 56 HG LEU 56 30.501 22.237 26.836 527 1HD1 LEU 56 1HD1 LEU 56 29.415 22.100 24.275 528 2HD1 LEU 56 2HD1 LEU 56 30.046 20.478 24.560 529 3HD1 LEU 56 3HD1 LEU 56 28.882 21.181 25.683 530 1HD2 LEU 56 1HD2 LEU 56 32.803 21.241 25.323 531 2HD2 LEU 56 2HD2 LEU 56 32.361 20.987 27.009 532 3HD2 LEU 56 3HD2 LEU 56 31.638 19.984 25.747 533 H VAL 57 H VAL 57 33.279 22.341 21.839 534 HA VAL 57 HA VAL 57 35.198 23.161 20.908 535 HB VAL 57 HB VAL 57 35.293 25.350 20.524 536 1HG1 VAL 57 2HG1 VAL 57 32.789 24.430 20.741 537 2HG1 VAL 57 3HG1 VAL 57 32.705 25.795 21.850 538 3HG1 VAL 57 1HG1 VAL 57 33.175 26.053 20.171 539 1HG2 VAL 57 1HG2 VAL 57 35.974 25.826 23.026 540 2HG2 VAL 57 2HG2 VAL 57 35.326 27.133 22.047 541 3HG2 VAL 57 3HG2 VAL 57 34.291 26.316 23.213 542 H GLY 58 H GLY 58 34.941 24.313 24.260 543 1HA GLY 58 1HA GLY 58 37.730 24.300 24.795 544 2HA GLY 58 2HA GLY 58 36.465 24.227 26.022 545 H ASP 59 H ASP 59 35.189 21.844 25.384 546 HA ASP 59 HA ASP 59 36.633 19.868 26.678 547 1HB ASP 59 1HB ASP 59 34.495 19.786 24.593 548 2HB ASP 59 2HB ASP 59 35.378 18.284 24.900 549 H VAL 60 H VAL 60 36.580 20.502 23.182 550 HA VAL 60 HA VAL 60 38.196 18.658 22.050 551 HB VAL 60 HB VAL 60 38.547 21.657 21.805 552 1HG1 VAL 60 1HG1 VAL 60 40.398 20.021 20.932 553 2HG1 VAL 60 2HG1 VAL 60 39.204 19.649 19.690 554 3HG1 VAL 60 3HG1 VAL 60 39.799 21.296 19.867 555 1HG2 VAL 60 1HG2 VAL 60 36.279 20.431 21.334 556 2HG2 VAL 60 2HG2 VAL 60 36.898 21.568 20.136 557 3HG2 VAL 60 3HG2 VAL 60 37.104 19.833 19.895 558 H GLY 61 H GLY 61 39.617 17.635 23.453 559 1HA GLY 61 1HA GLY 61 42.203 17.793 23.587 560 2HA GLY 61 2HA GLY 61 41.878 19.235 24.552 561 H VAL 62 H VAL 62 39.383 17.284 25.221 562 HA VAL 62 HA VAL 62 40.760 15.952 27.509 563 HB VAL 62 HB VAL 62 38.008 17.195 27.241 564 1HG1 VAL 62 1HG1 VAL 62 39.038 15.100 29.112 565 2HG1 VAL 62 2HG1 VAL 62 37.912 16.313 29.729 566 3HG1 VAL 62 3HG1 VAL 62 37.441 15.269 28.385 567 1HG2 VAL 62 2HG2 VAL 62 40.127 18.509 27.918 568 2HG2 VAL 62 3HG2 VAL 62 38.716 18.646 28.968 569 3HG2 VAL 62 1HG2 VAL 62 40.055 17.593 29.424 570 H THR 63 H THR 63 37.421 15.522 26.530 571 HA THR 63 HA THR 63 37.837 12.687 26.043 572 HB THR 63 HB THR 63 35.497 14.564 25.617 573 HG1 THR 63 HG1 THR 63 36.012 13.946 27.760 574 1HG2 THR 63 2HG2 THR 63 35.972 11.807 24.671 575 2HG2 THR 63 3HG2 THR 63 34.418 12.086 25.456 576 3HG2 THR 63 1HG2 THR 63 34.879 13.042 24.049 577 H ILE 64 H ILE 64 38.317 15.606 24.396 578 HA ILE 64 HA ILE 64 38.458 14.172 21.785 579 HB ILE 64 HB ILE 64 37.979 16.787 21.098 580 1HG1 ILE 64 1HG1 ILE 64 36.484 16.127 23.647 581 2HG1 ILE 64 2HG1 ILE 64 37.344 17.614 23.241 582 1HG2 ILE 64 1HG2 ILE 64 36.915 14.441 20.469 583 2HG2 ILE 64 2HG2 ILE 64 35.675 14.945 21.626 584 3HG2 ILE 64 3HG2 ILE 64 36.004 15.930 20.198 585 1HD1 ILE 64 3HD1 ILE 64 35.663 17.748 21.257 586 2HD1 ILE 64 1HD1 ILE 64 34.707 16.607 22.201 587 3HD1 ILE 64 2HD1 ILE 64 35.094 18.197 22.867 588 H THR 65 H THR 65 39.758 16.074 20.273 589 HA THR 65 HA THR 65 41.928 17.304 21.803 590 HB THR 65 HB THR 65 43.217 15.555 19.906 591 HG1 THR 65 HG1 THR 65 42.727 13.682 21.403 592 1HG2 THR 65 3HG2 THR 65 43.314 16.030 22.884 593 2HG2 THR 65 1HG2 THR 65 44.348 14.836 22.097 594 3HG2 THR 65 2HG2 THR 65 44.476 16.540 21.658 595 H ASP 66 H ASP 66 39.926 18.019 19.689 596 HA ASP 66 HA ASP 66 40.167 19.903 18.235 597 1HB ASP 66 1HB ASP 66 42.663 19.768 18.954 598 2HB ASP 66 2HB ASP 66 42.871 19.057 17.349 599 HA PRO 67 HA PRO 67 40.396 16.949 14.497 600 1HB PRO 67 1HB PRO 67 39.324 14.468 15.052 601 2HB PRO 67 2HB PRO 67 41.051 14.811 15.132 602 1HG PRO 67 1HG PRO 67 39.100 14.509 17.375 603 2HG PRO 67 2HG PRO 67 40.828 14.116 17.323 604 1HD PRO 67 1HD PRO 67 39.737 16.421 18.494 605 2HD PRO 67 2HD PRO 67 41.435 16.202 18.021 606 H PHE 68 H PHE 68 37.815 14.975 15.009 607 HA PHE 68 HA PHE 68 35.689 16.837 15.602 608 1HB PHE 68 1HB PHE 68 34.940 17.423 13.494 609 2HB PHE 68 2HB PHE 68 36.656 17.236 13.091 610 HD1 PHE 68 HD1 PHE 68 37.502 14.967 12.421 611 HD2 PHE 68 HD2 PHE 68 33.337 15.937 12.610 612 HE1 PHE 68 HE1 PHE 68 36.982 12.937 11.138 613 HE2 PHE 68 HE2 PHE 68 32.814 13.906 11.315 614 HZ PHE 68 HZ PHE 68 34.617 12.396 10.579 615 H LYS 69 H LYS 69 36.818 13.818 14.183 616 HA LYS 69 HA LYS 69 34.477 12.345 13.825 617 1HB LYS 69 1HB LYS 69 35.914 10.357 14.430 618 2HB LYS 69 2HB LYS 69 36.601 11.421 13.204 619 1HG LYS 69 1HG LYS 69 38.430 11.187 14.613 620 2HG LYS 69 2HG LYS 69 37.676 12.625 15.300 621 1HD LYS 69 1HD LYS 69 38.305 10.895 17.010 622 2HD LYS 69 2HD LYS 69 36.593 11.318 17.018 623 1HE LYS 69 1HE LYS 69 35.985 9.219 16.477 624 2HE LYS 69 2HE LYS 69 37.143 9.159 15.148 625 1HZ LYS 69 1HZ LYS 69 38.419 9.078 17.703 626 2HZ LYS 69 2HZ LYS 69 37.323 7.795 17.504 627 3HZ LYS 69 3HZ LYS 69 38.576 8.020 16.382 628 H HIS 70 H HIS 70 35.737 13.578 16.828 629 HA HIS 70 HA HIS 70 34.393 11.595 18.484 630 1HB HIS 70 1HB HIS 70 35.786 12.608 19.937 631 2HB HIS 70 2HB HIS 70 35.855 14.093 18.971 632 HD1 HIS 70 HD1 HIS 70 33.537 12.287 21.375 633 HD2 HIS 70 HD2 HIS 70 34.076 16.041 19.706 634 HE1 HIS 70 HE1 HIS 70 31.875 13.828 22.490 635 H PHE 71 H PHE 71 33.736 14.968 17.546 636 HA PHE 71 HA PHE 71 31.235 15.209 18.783 637 1HB PHE 71 1HB PHE 71 31.948 17.287 17.986 638 2HB PHE 71 2HB PHE 71 32.685 16.586 16.560 639 HD1 PHE 71 HD1 PHE 71 31.060 15.685 14.736 640 HD2 PHE 71 HD2 PHE 71 29.918 18.402 17.875 641 HE1 PHE 71 HE1 PHE 71 29.107 16.404 13.397 642 HE2 PHE 71 HE2 PHE 71 27.953 19.103 16.541 643 HZ PHE 71 HZ PHE 71 27.550 18.115 14.293 644 H VAL 72 H VAL 72 32.217 13.485 15.960 645 HA VAL 72 HA VAL 72 29.568 13.184 14.799 646 HB VAL 72 HB VAL 72 30.640 11.961 13.199 647 1HG1 VAL 72 3HG1 VAL 72 31.938 13.999 13.415 648 2HG1 VAL 72 1HG1 VAL 72 33.034 13.159 14.513 649 3HG1 VAL 72 2HG1 VAL 72 32.907 12.638 12.843 650 1HG2 VAL 72 2HG2 VAL 72 32.071 10.661 15.439 651 2HG2 VAL 72 3HG2 VAL 72 31.128 9.932 14.152 652 3HG2 VAL 72 1HG2 VAL 72 32.748 10.546 13.828 653 H GLY 73 H GLY 73 31.649 11.549 16.985 654 1HA GLY 73 1HA GLY 73 30.196 9.142 17.403 655 2HA GLY 73 2HA GLY 73 31.247 9.895 18.614 656 H MET 74 H MET 74 29.887 12.444 18.649 657 HA MET 74 HA MET 74 27.890 11.973 20.607 658 1HB MET 74 1HB MET 74 28.398 14.336 18.802 659 2HB MET 74 2HB MET 74 27.158 14.337 20.055 660 1HG MET 74 1HG MET 74 28.985 13.669 21.697 661 2HG MET 74 2HG MET 74 30.146 14.026 20.419 662 1HE MET 74 3HE MET 74 29.476 15.976 18.860 663 2HE MET 74 1HE MET 74 29.385 17.630 19.479 664 3HE MET 74 2HE MET 74 30.846 16.654 19.737 665 H LEU 75 H LEU 75 27.569 12.855 17.194 666 HA LEU 75 HA LEU 75 24.750 12.348 17.204 667 1HB LEU 75 1HB LEU 75 25.364 11.977 14.603 668 2HB LEU 75 2HB LEU 75 25.008 13.536 15.314 669 HG LEU 75 HG LEU 75 27.819 12.680 15.534 670 1HD1 LEU 75 2HD1 LEU 75 26.735 11.902 13.240 671 2HD1 LEU 75 3HD1 LEU 75 26.959 13.603 12.837 672 3HD1 LEU 75 1HD1 LEU 75 28.348 12.614 13.291 673 1HD2 LEU 75 1HD2 LEU 75 26.186 15.030 15.439 674 2HD2 LEU 75 2HD2 LEU 75 27.897 14.914 15.839 675 3HD2 LEU 75 3HD2 LEU 75 27.401 15.133 14.161 676 HA PRO 76 HA PRO 76 24.849 7.922 16.658 677 1HB PRO 76 1HB PRO 76 22.117 7.669 16.558 678 2HB PRO 76 2HB PRO 76 22.985 8.024 18.059 679 1HG PRO 76 1HG PRO 76 21.261 9.805 16.450 680 2HG PRO 76 2HG PRO 76 21.769 9.970 18.137 681 1HD PRO 76 1HD PRO 76 22.875 11.312 15.807 682 2HD PRO 76 2HD PRO 76 23.341 11.497 17.509 683 H GLU 77 H GLU 77 22.610 6.750 15.143 684 HA GLU 77 HA GLU 77 23.168 7.777 12.405 685 1HB GLU 77 1HB GLU 77 22.436 4.921 13.037 686 2HB GLU 77 2HB GLU 77 23.192 5.560 11.574 687 1HG GLU 77 1HG GLU 77 25.170 6.232 12.990 688 2HG GLU 77 2HG GLU 77 24.424 5.352 14.328 689 H LYS 78 H LYS 78 20.877 7.033 14.807 690 HA LYS 78 HA LYS 78 18.586 6.850 12.950 691 1HB LYS 78 1HB LYS 78 17.343 6.074 14.764 692 2HB LYS 78 2HB LYS 78 18.956 5.456 15.119 693 1HG LYS 78 1HG LYS 78 17.911 8.086 16.188 694 2HG LYS 78 2HG LYS 78 17.801 6.572 17.071 695 1HD LYS 78 1HD LYS 78 20.412 6.488 16.494 696 2HD LYS 78 2HD LYS 78 20.204 8.243 16.457 697 1HE LYS 78 1HE LYS 78 20.744 7.752 18.714 698 2HE LYS 78 2HE LYS 78 18.992 7.959 18.715 699 1HZ LYS 78 1HZ LYS 78 19.714 5.276 18.112 700 2HZ LYS 78 2HZ LYS 78 20.392 5.762 19.590 701 3HZ LYS 78 3HZ LYS 78 18.714 5.866 19.349 702 H ASP 79 H ASP 79 20.230 9.419 13.605 703 HA ASP 79 HA ASP 79 17.886 11.156 13.729 704 1HB ASP 79 1HB ASP 79 19.892 10.905 15.939 705 2HB ASP 79 2HB ASP 79 19.354 12.529 15.516 706 H CYS 80 H CYS 80 18.305 12.910 12.435 707 HA CYS 80 HA CYS 80 20.842 12.910 11.025 708 1HB CYS 80 1HB CYS 80 18.368 14.641 10.838 709 2HB CYS 80 2HB CYS 80 19.822 14.981 9.899 710 HG CYS 80 HG CYS 80 18.353 12.230 9.650 711 H ARG 81 H ARG 81 19.365 15.910 11.962 712 HA ARG 81 HA ARG 81 19.928 17.398 13.690 713 1HB ARG 81 1HB ARG 81 22.474 15.780 14.018 714 2HB ARG 81 2HB ARG 81 21.988 17.136 15.018 715 1HG ARG 81 1HG ARG 81 20.280 15.968 16.054 716 2HG ARG 81 2HG ARG 81 20.034 14.899 14.674 717 1HD ARG 81 1HD ARG 81 21.553 13.388 15.429 718 2HD ARG 81 2HD ARG 81 22.692 14.644 15.915 719 HE ARG 81 HE ARG 81 21.634 14.725 18.066 720 1HH1 ARG 81 1HH1 ARG 81 18.786 14.381 17.245 721 2HH1 ARG 81 2HH1 ARG 81 18.420 12.803 17.853 722 1HH2 ARG 81 1HH2 ARG 81 21.737 11.905 18.289 723 2HH2 ARG 81 2HH2 ARG 81 20.090 11.392 18.422 724 H TYR 82 H TYR 82 20.793 19.331 13.465 725 HA TYR 82 HA TYR 82 22.691 19.835 11.242 726 1HB TYR 82 1HB TYR 82 20.287 21.294 12.317 727 2HB TYR 82 2HB TYR 82 21.509 22.160 11.406 728 HD1 TYR 82 HD2 TYR 82 21.778 18.962 10.188 729 HD2 TYR 82 HD1 TYR 82 19.049 22.272 10.076 730 HE1 TYR 82 HE2 TYR 82 20.867 18.113 8.075 731 HE2 TYR 82 HE1 TYR 82 18.108 21.402 7.951 732 HH TYR 82 HH TYR 82 18.316 19.887 6.340 733 H ALA 83 H ALA 83 24.692 20.399 12.047 734 HA ALA 83 HA ALA 83 24.676 21.601 14.730 735 1HB ALA 83 3HB ALA 83 25.771 19.135 13.839 736 2HB ALA 83 1HB ALA 83 27.109 20.200 14.254 737 3HB ALA 83 2HB ALA 83 25.872 19.841 15.450 738 H LEU 84 H LEU 84 26.164 22.905 15.304 739 HA LEU 84 HA LEU 84 28.092 23.976 13.374 740 1HB LEU 84 1HB LEU 84 26.645 25.542 15.488 741 2HB LEU 84 2HB LEU 84 27.840 26.181 14.358 742 HG LEU 84 HG LEU 84 25.238 24.883 13.567 743 1HD1 LEU 84 1HD1 LEU 84 25.926 27.508 14.416 744 2HD1 LEU 84 2HD1 LEU 84 25.424 27.569 12.731 745 3HD1 LEU 84 3HD1 LEU 84 24.348 26.895 13.960 746 1HD2 LEU 84 1HD2 LEU 84 27.514 24.922 12.138 747 2HD2 LEU 84 2HD2 LEU 84 25.914 25.067 11.412 748 3HD2 LEU 84 3HD2 LEU 84 26.873 26.514 11.712 749 H TYR 85 H TYR 85 29.803 22.997 14.011 750 HA TYR 85 HA TYR 85 30.397 22.854 16.924 751 1HB TYR 85 1HB TYR 85 30.491 20.675 16.094 752 2HB TYR 85 2HB TYR 85 31.134 21.193 14.532 753 HD1 TYR 85 HD2 TYR 85 31.929 20.954 18.147 754 HD2 TYR 85 HD1 TYR 85 33.466 21.287 14.132 755 HE1 TYR 85 HE2 TYR 85 34.246 20.606 18.998 756 HE2 TYR 85 HE1 TYR 85 35.773 20.904 14.987 757 HH TYR 85 HH TYR 85 36.438 19.704 18.030 758 H ASP 86 H ASP 86 31.497 24.763 17.353 759 HA ASP 86 HA ASP 86 33.166 26.263 15.689 760 1HB ASP 86 1HB ASP 86 32.674 26.426 18.333 761 2HB ASP 86 2HB ASP 86 34.292 25.733 18.406 762 H ALA 87 H ALA 87 34.396 25.142 14.215 763 HA ALA 87 HA ALA 87 35.827 22.747 14.827 764 1HB ALA 87 3HB ALA 87 35.231 23.685 12.507 765 2HB ALA 87 1HB ALA 87 36.723 24.627 12.661 766 3HB ALA 87 2HB ALA 87 36.778 22.862 12.691 767 H SER 88 H SER 88 38.405 23.320 13.755 768 HA SER 88 HA SER 88 39.802 25.367 15.072 769 1HB SER 88 1HB SER 88 40.808 23.978 16.950 770 2HB SER 88 2HB SER 88 39.157 24.556 17.182 771 HG SER 88 HG SER 88 39.856 22.004 16.135 772 H PHE 89 H PHE 89 40.808 25.171 13.117 773 HA PHE 89 HA PHE 89 42.972 23.122 12.982 774 1HB PHE 89 1HB PHE 89 42.507 22.920 10.525 775 2HB PHE 89 2HB PHE 89 41.167 22.318 11.507 776 HD1 PHE 89 HD1 PHE 89 39.149 23.689 11.859 777 HD2 PHE 89 HD2 PHE 89 42.297 24.977 9.250 778 HE1 PHE 89 HE1 PHE 89 37.638 25.393 10.872 779 HE2 PHE 89 HE2 PHE 89 40.798 26.680 8.265 780 HZ PHE 89 HZ PHE 89 38.467 26.889 9.073 781 H GLU 90 H GLU 90 44.034 23.986 10.557 782 HA GLU 90 HA GLU 90 44.319 26.932 10.872 783 1HB GLU 90 1HB GLU 90 46.633 25.166 10.065 784 2HB GLU 90 2HB GLU 90 46.660 26.904 10.439 785 1HG GLU 90 1HG GLU 90 46.375 26.563 12.697 786 2HG GLU 90 2HG GLU 90 45.661 24.967 12.486 787 H THR 91 H THR 91 45.074 27.901 8.860 788 HA THR 91 HA THR 91 44.440 26.229 6.522 789 HB THR 91 HB THR 91 42.321 27.175 6.780 790 HG1 THR 91 HG1 THR 91 42.141 28.813 5.306 791 1HG2 THR 91 3HG2 THR 91 43.019 28.415 8.801 792 2HG2 THR 91 1HG2 THR 91 43.676 29.702 7.776 793 3HG2 THR 91 2HG2 THR 91 41.942 29.362 7.777 794 H LYS 92 H LYS 92 44.699 28.064 4.427 795 HA LYS 92 HA LYS 92 47.432 28.859 4.518 796 1HB LYS 92 1HB LYS 92 45.232 30.204 2.907 797 2HB LYS 92 2HB LYS 92 46.953 30.164 2.527 798 1HG LYS 92 1HG LYS 92 45.983 27.472 2.841 799 2HG LYS 92 2HG LYS 92 44.964 28.330 1.689 800 1HD LYS 92 1HD LYS 92 46.568 28.130 0.130 801 2HD LYS 92 2HD LYS 92 47.665 29.060 1.151 802 1HE LYS 92 1HE LYS 92 48.794 27.212 1.819 803 2HE LYS 92 2HE LYS 92 47.313 26.276 2.028 804 1HZ LYS 92 1HZ LYS 92 47.224 26.169 -0.464 805 2HZ LYS 92 2HZ LYS 92 48.805 26.784 -0.480 806 3HZ LYS 92 3HZ LYS 92 48.484 25.288 0.259 807 H GLU 93 H GLU 93 44.485 30.067 5.865 808 HA GLU 93 HA GLU 93 45.437 32.743 6.365 809 1HB GLU 93 1HB GLU 93 43.118 32.718 6.233 810 2HB GLU 93 2HB GLU 93 42.993 31.151 7.035 811 1HG GLU 93 1HG GLU 93 42.233 32.923 8.522 812 2HG GLU 93 2HG GLU 93 43.700 32.176 9.141 813 H SER 94 H SER 94 45.314 29.660 7.962 814 HA SER 94 HA SER 94 47.151 29.139 9.546 815 1HB SER 94 1HB SER 94 46.228 31.747 10.701 816 2HB SER 94 2HB SER 94 47.351 30.639 11.487 817 HG SER 94 HG SER 94 48.224 30.979 9.033 818 H ARG 95 H ARG 95 46.700 29.115 12.158 819 HA ARG 95 HA ARG 95 44.652 27.293 12.600 820 1HB ARG 95 1HB ARG 95 46.434 27.767 14.221 821 2HB ARG 95 2HB ARG 95 45.662 29.309 14.578 822 1HG ARG 95 1HG ARG 95 44.910 27.747 16.254 823 2HG ARG 95 2HG ARG 95 43.567 28.026 15.145 824 1HD ARG 95 1HD ARG 95 43.471 25.787 14.894 825 2HD ARG 95 2HD ARG 95 44.965 25.929 13.968 826 HE ARG 95 HE ARG 95 45.943 25.784 16.490 827 1HH1 ARG 95 1HH1 ARG 95 44.212 24.503 18.070 828 2HH1 ARG 95 2HH1 ARG 95 44.114 22.848 17.565 829 1HH2 ARG 95 1HH2 ARG 95 45.522 23.441 14.451 830 2HH2 ARG 95 2HH2 ARG 95 44.857 22.246 15.515 831 H LYS 96 H LYS 96 42.802 27.919 11.646 832 HA LYS 96 HA LYS 96 41.348 30.197 12.903 833 1HB LYS 96 1HB LYS 96 41.076 29.168 10.055 834 2HB LYS 96 2HB LYS 96 40.132 30.475 10.772 835 1HG LYS 96 1HG LYS 96 43.110 30.643 10.901 836 2HG LYS 96 2HG LYS 96 42.322 30.965 9.360 837 1HD LYS 96 1HD LYS 96 41.791 32.371 11.993 838 2HD LYS 96 2HD LYS 96 42.570 33.062 10.570 839 1HE LYS 96 1HE LYS 96 40.380 32.447 9.324 840 2HE LYS 96 2HE LYS 96 39.676 32.281 10.932 841 1HZ LYS 96 3HZ LYS 96 40.711 34.590 11.323 842 2HZ LYS 96 1HZ LYS 96 40.767 34.689 9.627 843 3HZ LYS 96 2HZ LYS 96 39.279 34.482 10.414 844 H GLU 97 H GLU 97 40.057 29.187 14.350 845 HA GLU 97 HA GLU 97 38.944 26.559 13.881 846 1HB GLU 97 1HB GLU 97 39.293 26.802 16.109 847 2HB GLU 97 2HB GLU 97 39.079 28.547 16.061 848 1HG GLU 97 1HG GLU 97 36.782 28.403 16.221 849 2HG GLU 97 2HG GLU 97 36.743 26.754 15.595 850 H GLU 98 H GLU 98 37.542 26.575 12.307 851 HA GLU 98 HA GLU 98 35.433 28.616 12.104 852 1HB GLU 98 1HB GLU 98 37.149 27.375 10.255 853 2HB GLU 98 2HB GLU 98 35.543 26.720 9.940 854 1HG GLU 98 1HG GLU 98 34.828 28.651 9.086 855 2HG GLU 98 2HG GLU 98 35.447 29.549 10.475 856 H LEU 99 H LEU 99 33.658 27.922 13.223 857 HA LEU 99 HA LEU 99 32.877 25.190 13.615 858 1HB LEU 99 1HB LEU 99 30.912 26.049 14.498 859 2HB LEU 99 2HB LEU 99 31.960 27.461 14.629 860 HG LEU 99 HG LEU 99 31.120 27.998 12.222 861 1HD1 LEU 99 2HD1 LEU 99 29.646 25.644 12.850 862 2HD1 LEU 99 3HD1 LEU 99 28.504 26.986 12.743 863 3HD1 LEU 99 1HD1 LEU 99 29.563 26.618 11.367 864 1HD2 LEU 99 2HD2 LEU 99 29.507 28.283 14.785 865 2HD2 LEU 99 3HD2 LEU 99 30.626 29.445 14.064 866 3HD2 LEU 99 1HD2 LEU 99 29.073 29.125 13.284 867 H MET 100 H MET 100 30.959 24.192 12.457 868 HA MET 100 HA MET 100 30.614 25.204 9.705 869 1HB MET 100 1HB MET 100 31.711 22.496 10.334 870 2HB MET 100 2HB MET 100 31.406 23.160 8.722 871 1HG MET 100 1HG MET 100 32.979 25.034 9.262 872 2HG MET 100 2HG MET 100 33.374 24.212 10.766 873 1HE MET 100 2HE MET 100 33.018 21.393 10.049 874 2HE MET 100 3HE MET 100 32.383 21.684 8.428 875 3HE MET 100 1HE MET 100 33.839 20.714 8.634 876 H PHE 101 H PHE 101 28.693 24.806 8.945 877 HA PHE 101 HA PHE 101 26.644 23.743 10.484 878 1HB PHE 101 1HB PHE 101 26.567 25.044 8.191 879 2HB PHE 101 2HB PHE 101 26.564 23.417 7.541 880 HD1 PHE 101 HD1 PHE 101 25.132 23.373 10.729 881 HD2 PHE 101 HD2 PHE 101 24.259 24.379 6.653 882 HE1 PHE 101 HE1 PHE 101 22.764 23.123 11.202 883 HE2 PHE 101 HE2 PHE 101 21.819 24.124 7.134 884 HZ PHE 101 HZ PHE 101 21.071 23.486 9.430 885 H PHE 102 H PHE 102 25.762 21.627 10.640 886 HA PHE 102 HA PHE 102 27.204 19.566 9.041 887 1HB PHE 102 1HB PHE 102 27.053 19.855 11.968 888 2HB PHE 102 2HB PHE 102 26.658 18.239 11.373 889 HD1 PHE 102 HD2 PHE 102 28.250 17.298 9.501 890 HD2 PHE 102 HD1 PHE 102 29.291 20.437 12.243 891 HE1 PHE 102 HE2 PHE 102 30.662 16.873 9.077 892 HE2 PHE 102 HE1 PHE 102 31.694 20.022 11.826 893 HZ PHE 102 HZ PHE 102 32.387 18.233 10.231 894 H LEU 103 H LEU 103 25.574 18.841 7.715 895 HA LEU 103 HA LEU 103 22.841 18.595 8.745 896 1HB LEU 103 1HB LEU 103 23.899 17.697 6.055 897 2HB LEU 103 2HB LEU 103 22.223 17.963 6.507 898 HG LEU 103 HG LEU 103 22.561 19.991 5.544 899 1HD1 LEU 103 1HD1 LEU 103 22.455 20.262 8.130 900 2HD1 LEU 103 2HD1 LEU 103 24.147 20.715 7.997 901 3HD1 LEU 103 3HD1 LEU 103 22.915 21.660 7.164 902 1HD2 LEU 103 2HD2 LEU 103 25.426 19.377 6.002 903 2HD2 LEU 103 3HD2 LEU 103 24.620 19.868 4.521 904 3HD2 LEU 103 1HD2 LEU 103 24.988 21.060 5.766 905 H TRP 104 H TRP 104 24.297 17.187 10.291 906 HA TRP 104 HA TRP 104 25.328 14.748 9.841 907 1HB TRP 104 1HB TRP 104 25.085 15.546 12.131 908 2HB TRP 104 2HB TRP 104 23.322 15.395 12.028 909 HD1 TRP 104 HD1 TRP 104 23.303 13.464 13.977 910 HE1 TRP 104 HE1 TRP 104 23.835 10.954 13.799 911 HE3 TRP 104 HE3 TRP 104 25.934 13.367 9.583 912 HZ2 TRP 104 HZ2 TRP 104 25.298 9.161 12.050 913 HZ3 TRP 104 HZ3 TRP 104 26.833 11.328 8.716 914 HH2 TRP 104 HH2 TRP 104 26.538 9.190 9.928 915 H ALA 105 H ALA 105 24.472 13.651 8.078 916 HA ALA 105 HA ALA 105 21.698 12.650 8.361 917 1HB ALA 105 3HB ALA 105 23.115 13.765 6.127 918 2HB ALA 105 1HB ALA 105 22.727 12.085 5.765 919 3HB ALA 105 2HB ALA 105 21.444 13.212 6.189 920 HA PRO 106 HA PRO 106 24.056 8.963 9.203 921 1HB PRO 106 1HB PRO 106 21.928 7.525 10.131 922 2HB PRO 106 2HB PRO 106 22.705 8.806 11.072 923 1HG PRO 106 1HG PRO 106 20.052 8.832 9.738 924 2HG PRO 106 2HG PRO 106 20.637 9.837 11.073 925 1HD PRO 106 1HD PRO 106 20.474 10.533 8.284 926 2HD PRO 106 2HD PRO 106 21.116 11.532 9.615 927 H GLU 107 H GLU 107 21.966 9.492 6.759 928 HA GLU 107 HA GLU 107 21.461 8.345 4.803 929 1HB GLU 107 1HB GLU 107 23.846 7.315 5.366 930 2HB GLU 107 2HB GLU 107 22.887 5.884 5.736 931 1HG GLU 107 1HG GLU 107 21.742 6.497 3.405 932 2HG GLU 107 2HG GLU 107 23.310 7.252 3.114 933 H LEU 108 H LEU 108 20.597 7.559 7.886 934 HA LEU 108 HA LEU 108 18.538 5.653 6.944 935 1HB LEU 108 1HB LEU 108 18.960 5.438 9.780 936 2HB LEU 108 2HB LEU 108 19.133 4.187 8.558 937 HG LEU 108 HG LEU 108 21.300 6.231 8.972 938 1HD1 LEU 108 1HD1 LEU 108 20.613 3.883 10.690 939 2HD1 LEU 108 2HD1 LEU 108 22.315 4.181 10.342 940 3HD1 LEU 108 3HD1 LEU 108 21.352 5.420 11.145 941 1HD2 LEU 108 2HD2 LEU 108 21.067 4.548 6.996 942 2HD2 LEU 108 3HD2 LEU 108 22.634 4.687 7.800 943 3HD2 LEU 108 1HD2 LEU 108 21.561 3.339 8.184 944 H ALA 109 H ALA 109 19.059 7.207 10.066 945 HA ALA 109 HA ALA 109 17.572 8.455 11.378 946 1HB ALA 109 1HB ALA 109 18.361 9.931 8.973 947 2HB ALA 109 2HB ALA 109 16.862 10.541 9.688 948 3HB ALA 109 3HB ALA 109 18.338 10.455 10.657 949 HA PRO 110 HA PRO 110 13.332 7.887 10.513 950 1HB PRO 110 1HB PRO 110 12.264 10.167 11.640 951 2HB PRO 110 2HB PRO 110 12.884 8.811 12.595 952 1HG PRO 110 1HG PRO 110 14.138 11.476 12.090 953 2HG PRO 110 2HG PRO 110 14.325 10.397 13.482 954 1HD PRO 110 1HD PRO 110 16.185 10.688 11.388 955 2HD PRO 110 2HD PRO 110 16.146 9.347 12.544 956 H LEU 111 H LEU 111 11.746 8.544 8.891 957 HA LEU 111 HA LEU 111 12.778 10.127 6.726 958 1HB LEU 111 1HB LEU 111 10.098 8.938 7.374 959 2HB LEU 111 2HB LEU 111 10.246 10.070 6.029 960 HG LEU 111 HG LEU 111 10.609 7.479 5.630 961 1HD1 LEU 111 2HD1 LEU 111 12.145 9.823 4.544 962 2HD1 LEU 111 3HD1 LEU 111 12.506 8.199 3.959 963 3HD1 LEU 111 1HD1 LEU 111 10.884 8.866 3.768 964 1HD2 LEU 111 2HD2 LEU 111 12.359 7.402 7.470 965 2HD2 LEU 111 3HD2 LEU 111 12.893 6.758 5.918 966 3HD2 LEU 111 1HD2 LEU 111 13.397 8.371 6.424 967 H LYS 112 H LYS 112 11.483 11.076 9.681 968 HA LYS 112 HA LYS 112 10.173 13.521 8.767 969 1HB LYS 112 1HB LYS 112 10.300 14.101 11.217 970 2HB LYS 112 2HB LYS 112 9.451 12.599 10.869 971 1HG LYS 112 1HG LYS 112 10.867 11.544 12.267 972 2HG LYS 112 2HG LYS 112 12.183 11.937 11.156 973 1HD LYS 112 1HD LYS 112 11.297 14.164 12.887 974 2HD LYS 112 2HD LYS 112 12.079 12.823 13.729 975 1HE LYS 112 1HE LYS 112 13.676 13.136 11.512 976 2HE LYS 112 2HE LYS 112 13.232 14.799 11.881 977 1HZ LYS 112 3HZ LYS 112 13.833 14.224 14.262 978 2HZ LYS 112 1HZ LYS 112 14.587 12.836 13.634 979 3HZ LYS 112 2HZ LYS 112 15.121 14.380 13.170 980 H SER 113 H SER 113 13.375 12.535 9.494 981 HA SER 113 HA SER 113 14.345 15.352 9.666 982 1HB SER 113 1HB SER 113 16.587 13.866 10.030 983 2HB SER 113 2HB SER 113 15.503 14.278 11.357 984 HG SER 113 HG SER 113 15.596 11.909 9.807 985 H LYS 114 H LYS 114 13.405 13.973 7.231 986 HA LYS 114 HA LYS 114 15.842 14.387 5.573 987 1HB LYS 114 1HB LYS 114 13.933 12.240 4.777 988 2HB LYS 114 2HB LYS 114 15.691 12.294 4.614 989 1HG LYS 114 1HG LYS 114 15.882 12.002 7.102 990 2HG LYS 114 2HG LYS 114 14.132 11.792 7.184 991 1HD LYS 114 1HD LYS 114 15.035 9.583 7.081 992 2HD LYS 114 2HD LYS 114 14.437 9.914 5.454 993 1HE LYS 114 1HE LYS 114 17.226 10.758 5.944 994 2HE LYS 114 2HE LYS 114 16.961 9.015 5.995 995 1HZ LYS 114 3HZ LYS 114 15.751 10.553 3.812 996 2HZ LYS 114 1HZ LYS 114 17.419 10.239 3.746 997 3HZ LYS 114 2HZ LYS 114 16.318 8.951 3.822 998 H MET 115 H MET 115 12.337 13.887 5.676 999 HA MET 115 HA MET 115 11.779 15.324 3.191 1000 1HB MET 115 1HB MET 115 10.050 14.766 5.622 1001 2HB MET 115 2HB MET 115 9.460 15.343 4.065 1002 1HG MET 115 1HG MET 115 11.061 13.041 3.550 1003 2HG MET 115 2HG MET 115 9.972 12.633 4.872 1004 1HE MET 115 1HE MET 115 10.160 14.808 1.870 1005 2HE MET 115 2HE MET 115 8.721 14.508 0.899 1006 3HE MET 115 3HE MET 115 8.610 15.470 2.378 1007 H ILE 116 H ILE 116 11.996 15.959 6.619 1008 HA ILE 116 HA ILE 116 10.851 18.520 6.599 1009 HB ILE 116 HB ILE 116 12.426 16.699 8.277 1010 1HG1 ILE 116 1HG1 ILE 116 10.581 16.741 9.659 1011 2HG1 ILE 116 2HG1 ILE 116 10.149 18.393 9.228 1012 1HG2 ILE 116 3HG2 ILE 116 12.447 19.638 8.538 1013 2HG2 ILE 116 1HG2 ILE 116 12.429 18.653 10.004 1014 3HG2 ILE 116 2HG2 ILE 116 13.714 18.450 8.813 1015 1HD1 ILE 116 1HD1 ILE 116 10.003 16.146 7.221 1016 2HD1 ILE 116 2HD1 ILE 116 8.660 16.490 8.309 1017 3HD1 ILE 116 3HD1 ILE 116 9.201 17.715 7.165 1018 H TYR 117 H TYR 117 14.078 17.311 7.009 1019 HA TYR 117 HA TYR 117 15.504 19.747 7.093 1020 1HB TYR 117 1HB TYR 117 16.097 16.893 6.537 1021 2HB TYR 117 2HB TYR 117 17.328 18.079 6.076 1022 HD1 TYR 117 HD1 TYR 117 15.432 19.409 8.752 1023 HD2 TYR 117 HD2 TYR 117 18.534 16.541 7.930 1024 HE1 TYR 117 HE1 TYR 117 16.180 19.539 11.101 1025 HE2 TYR 117 HE2 TYR 117 19.266 16.673 10.302 1026 HH TYR 117 HH TYR 117 18.636 19.030 12.270 1027 H ALA 118 H ALA 118 14.207 17.868 4.553 1028 HA ALA 118 HA ALA 118 15.479 18.731 2.244 1029 1HB ALA 118 1HB ALA 118 13.014 17.581 3.042 1030 2HB ALA 118 2HB ALA 118 12.624 18.907 1.940 1031 3HB ALA 118 3HB ALA 118 13.701 17.609 1.411 1032 H SER 119 H SER 119 12.919 20.355 4.126 1033 HA SER 119 HA SER 119 13.599 22.909 2.706 1034 1HB SER 119 1HB SER 119 11.207 21.914 2.597 1035 2HB SER 119 2HB SER 119 11.090 22.403 4.284 1036 HG SER 119 HG SER 119 11.314 23.957 1.963 1037 H SER 120 H SER 120 14.204 21.280 5.485 1038 HA SER 120 HA SER 120 13.773 23.453 7.415 1039 1HB SER 120 1HB SER 120 14.080 20.777 7.782 1040 2HB SER 120 2HB SER 120 15.732 21.322 8.076 1041 HG SER 120 HG SER 120 15.095 22.212 9.869 1042 H LYS 121 H LYS 121 16.267 22.317 5.312 1043 HA LYS 121 HA LYS 121 18.269 24.125 6.468 1044 1HB LYS 121 1HB LYS 121 18.300 21.893 4.638 1045 2HB LYS 121 2HB LYS 121 19.197 23.282 4.010 1046 1HG LYS 121 1HG LYS 121 20.659 23.339 5.820 1047 2HG LYS 121 2HG LYS 121 19.536 22.491 6.894 1048 1HD LYS 121 1HD LYS 121 21.220 20.884 6.301 1049 2HD LYS 121 2HD LYS 121 19.809 20.476 5.329 1050 1HE LYS 121 1HE LYS 121 20.990 22.252 3.668 1051 2HE LYS 121 2HE LYS 121 22.420 21.595 4.465 1052 1HZ LYS 121 3HZ LYS 121 20.907 19.397 3.943 1053 2HZ LYS 121 1HZ LYS 121 20.657 20.363 2.567 1054 3HZ LYS 121 2HZ LYS 121 22.233 19.922 3.026 1055 H ASP 122 H ASP 122 16.973 25.720 6.283 1056 HA ASP 122 HA ASP 122 17.309 27.659 4.261 1057 1HB ASP 122 1HB ASP 122 15.600 26.037 3.143 1058 2HB ASP 122 2HB ASP 122 14.484 26.589 4.401 1059 H ALA 123 H ALA 123 15.319 26.163 6.675 1060 HA ALA 123 HA ALA 123 14.446 28.660 7.902 1061 1HB ALA 123 2HB ALA 123 13.517 26.162 8.042 1062 2HB ALA 123 3HB ALA 123 14.661 26.068 9.386 1063 3HB ALA 123 1HB ALA 123 13.354 27.259 9.419 1064 H ILE 124 H ILE 124 16.754 26.063 8.668 1065 HA ILE 124 HA ILE 124 18.077 27.431 10.815 1066 HB ILE 124 HB ILE 124 18.124 25.032 10.541 1067 1HG1 ILE 124 1HG1 ILE 124 20.923 25.936 10.097 1068 2HG1 ILE 124 2HG1 ILE 124 20.035 26.579 11.477 1069 1HG2 ILE 124 3HG2 ILE 124 18.231 25.192 7.996 1070 2HG2 ILE 124 1HG2 ILE 124 19.962 25.485 8.199 1071 3HG2 ILE 124 2HG2 ILE 124 19.254 23.962 8.743 1072 1HD1 ILE 124 3HD1 ILE 124 19.814 23.665 11.066 1073 2HD1 ILE 124 1HD1 ILE 124 21.416 24.258 11.524 1074 3HD1 ILE 124 2HD1 ILE 124 20.032 24.590 12.581 1075 H LYS 125 H LYS 125 18.799 26.932 7.374 1076 HA LYS 125 HA LYS 125 21.337 28.207 7.409 1077 1HB LYS 125 1HB LYS 125 21.242 27.099 5.484 1078 2HB LYS 125 2HB LYS 125 19.493 26.965 5.620 1079 1HG LYS 125 1HG LYS 125 19.234 29.199 4.616 1080 2HG LYS 125 2HG LYS 125 20.996 29.316 4.448 1081 1HD LYS 125 1HD LYS 125 20.886 28.114 2.548 1082 2HD LYS 125 2HD LYS 125 20.234 26.773 3.502 1083 1HE LYS 125 1HE LYS 125 18.139 27.094 2.756 1084 2HE LYS 125 2HE LYS 125 18.247 28.847 2.919 1085 1HZ LYS 125 2HZ LYS 125 19.535 27.314 0.730 1086 2HZ LYS 125 3HZ LYS 125 17.999 28.026 0.597 1087 3HZ LYS 125 1HZ LYS 125 19.371 28.998 0.845 1088 H LYS 126 H LYS 126 18.072 29.459 6.939 1089 HA LYS 126 HA LYS 126 18.962 32.076 6.036 1090 1HB LYS 126 1HB LYS 126 16.361 30.910 6.911 1091 2HB LYS 126 2HB LYS 126 16.538 32.657 7.028 1092 1HG LYS 126 1HG LYS 126 17.445 31.335 4.505 1093 2HG LYS 126 2HG LYS 126 15.710 31.514 4.767 1094 1HD LYS 126 1HD LYS 126 17.663 33.810 5.060 1095 2HD LYS 126 2HD LYS 126 16.820 33.452 3.552 1096 1HE LYS 126 1HE LYS 126 14.649 33.590 4.817 1097 2HE LYS 126 2HE LYS 126 15.561 34.145 6.219 1098 1HZ LYS 126 2HZ LYS 126 16.161 35.561 3.781 1099 2HZ LYS 126 3HZ LYS 126 14.558 35.746 4.301 1100 3HZ LYS 126 1HZ LYS 126 15.839 36.161 5.337 1101 H LYS 127 H LYS 127 19.018 30.479 9.012 1102 HA LYS 127 HA LYS 127 19.221 33.040 10.520 1103 1HB LYS 127 1HB LYS 127 19.037 30.227 11.654 1104 2HB LYS 127 2HB LYS 127 18.938 31.734 12.557 1105 1HG LYS 127 1HG LYS 127 16.888 30.440 10.797 1106 2HG LYS 127 2HG LYS 127 16.690 31.161 12.384 1107 1HD LYS 127 1HD LYS 127 15.944 33.033 11.394 1108 2HD LYS 127 2HD LYS 127 17.519 33.254 10.648 1109 1HE LYS 127 1HE LYS 127 16.095 33.146 8.787 1110 2HE LYS 127 2HE LYS 127 16.674 31.485 8.920 1111 1HZ LYS 127 3HZ LYS 127 14.672 31.022 10.291 1112 2HZ LYS 127 1HZ LYS 127 14.093 32.570 9.896 1113 3HZ LYS 127 2HZ LYS 127 14.330 31.416 8.674 1114 H PHE 128 H PHE 128 20.857 30.342 9.197 1115 HA PHE 128 HA PHE 128 23.315 30.740 10.792 1116 1HB PHE 128 1HB PHE 128 22.527 28.882 8.573 1117 2HB PHE 128 2HB PHE 128 24.201 29.046 9.112 1118 HD1 PHE 128 HD2 PHE 128 22.117 29.937 11.758 1119 HD2 PHE 128 HD1 PHE 128 23.583 26.473 9.646 1120 HE1 PHE 128 HE2 PHE 128 21.683 28.560 13.734 1121 HE2 PHE 128 HE1 PHE 128 23.109 25.086 11.671 1122 HZ PHE 128 HZ PHE 128 22.155 26.124 13.702 1123 H GLN 129 H GLN 129 22.372 32.951 9.430 1124 HA GLN 129 HA GLN 129 23.061 33.923 7.068 1125 1HB GLN 129 1HB GLN 129 24.522 35.109 9.422 1126 2HB GLN 129 2HB GLN 129 23.831 35.951 8.036 1127 1HG GLN 129 1HG GLN 129 22.202 34.443 10.100 1128 2HG GLN 129 2HG GLN 129 22.470 36.184 10.129 1129 1HE2 GLN 129 2HE2 GLN 129 20.148 34.653 7.091 1130 2HE2 GLN 129 1HE2 GLN 129 21.334 33.666 7.799 1131 H GLY 130 H GLY 130 25.527 33.072 9.458 1132 1HA GLY 130 1HA GLY 130 27.484 32.687 7.231 1133 2HA GLY 130 2HA GLY 130 27.958 33.317 8.819 1134 H ILE 131 H ILE 131 26.305 30.451 7.386 1135 HA ILE 131 HA ILE 131 26.495 28.793 9.602 1136 HB ILE 131 HB ILE 131 25.910 28.507 6.837 1137 1HG1 ILE 131 1HG1 ILE 131 24.355 27.552 8.276 1138 2HG1 ILE 131 2HG1 ILE 131 25.220 26.157 7.649 1139 1HG2 ILE 131 2HG2 ILE 131 28.213 27.591 6.725 1140 2HG2 ILE 131 3HG2 ILE 131 27.691 26.361 7.886 1141 3HG2 ILE 131 1HG2 ILE 131 26.946 26.438 6.289 1142 1HD1 ILE 131 3HD1 ILE 131 26.847 26.521 9.612 1143 2HD1 ILE 131 1HD1 ILE 131 25.520 27.507 10.306 1144 3HD1 ILE 131 2HD1 ILE 131 25.257 25.789 9.949 1145 H LYS 132 H LYS 132 28.877 29.925 7.454 1146 HA LYS 132 HA LYS 132 31.234 29.873 7.699 1147 1HB LYS 132 1HB LYS 132 30.963 27.669 9.748 1148 2HB LYS 132 2HB LYS 132 32.284 28.819 9.534 1149 1HG LYS 132 1HG LYS 132 29.532 29.342 10.628 1150 2HG LYS 132 2HG LYS 132 31.077 29.587 11.434 1151 1HD LYS 132 1HD LYS 132 30.230 31.086 8.945 1152 2HD LYS 132 2HD LYS 132 30.039 31.717 10.580 1153 1HE LYS 132 1HE LYS 132 32.565 31.228 10.855 1154 2HE LYS 132 2HE LYS 132 32.595 31.110 9.096 1155 1HZ LYS 132 3HZ LYS 132 31.159 33.405 10.003 1156 2HZ LYS 132 1HZ LYS 132 32.763 33.405 10.565 1157 3HZ LYS 132 2HZ LYS 132 32.449 33.304 8.900 1158 H HIS 133 H HIS 133 29.416 26.830 8.066 1159 HA HIS 133 HA HIS 133 30.648 25.969 5.515 1160 1HB HIS 133 1HB HIS 133 31.557 24.997 8.129 1161 2HB HIS 133 2HB HIS 133 31.344 23.775 6.876 1162 HD1 HIS 133 HD1 HIS 133 32.137 25.539 4.431 1163 HD2 HIS 133 HD2 HIS 133 34.287 25.338 7.988 1164 HE1 HIS 133 HE1 HIS 133 34.492 26.289 3.875 1165 H GLU 134 H GLU 134 28.596 25.499 4.640 1166 HA GLU 134 HA GLU 134 26.759 23.758 6.064 1167 1HB GLU 134 1HB GLU 134 26.402 25.355 3.925 1168 2HB GLU 134 2HB GLU 134 26.618 23.785 3.155 1169 1HG GLU 134 1HG GLU 134 24.973 23.191 5.277 1170 2HG GLU 134 2HG GLU 134 24.372 24.768 4.750 1171 H CYS 135 H CYS 135 27.624 21.851 6.526 1172 HA CYS 135 HA CYS 135 28.938 20.258 4.350 1173 1HB CYS 135 1HB CYS 135 30.388 21.049 6.356 1174 2HB CYS 135 2HB CYS 135 29.490 19.855 7.287 1175 HG CYS 135 HG CYS 135 31.303 19.128 4.845 1176 H GLN 136 H GLN 136 27.250 18.838 3.742 1177 HA GLN 136 HA GLN 136 25.652 17.596 5.889 1178 1HB GLN 136 1HB GLN 136 24.498 18.182 3.777 1179 2HB GLN 136 2HB GLN 136 25.566 17.082 2.903 1180 1HG GLN 136 1HG GLN 136 24.626 15.189 3.847 1181 2HG GLN 136 2HG GLN 136 24.058 16.049 5.273 1182 1HE2 GLN 136 2HE2 GLN 136 20.885 16.645 3.892 1183 2HE2 GLN 136 1HE2 GLN 136 21.873 16.675 5.264 1184 H ALA 137 H ALA 137 25.538 15.275 6.126 1185 HA ALA 137 HA ALA 137 28.126 13.997 5.462 1186 1HB ALA 137 2HB ALA 137 26.265 13.501 7.767 1187 2HB ALA 137 3HB ALA 137 27.745 12.599 7.457 1188 3HB ALA 137 1HB ALA 137 27.819 14.318 7.839 1189 H ASN 138 H ASN 138 25.690 12.132 6.739 1190 HA ASN 138 HA ASN 138 23.969 10.798 5.642 1191 1HB ASN 138 1HB ASN 138 25.856 10.840 3.264 1192 2HB ASN 138 2HB ASN 138 24.345 9.944 3.374 1193 1HD2 ASN 138 2HD2 ASN 138 23.365 13.884 3.600 1194 2HD2 ASN 138 1HD2 ASN 138 24.216 13.135 4.849 1195 H GLY 139 H GLY 139 26.702 10.723 6.962 1196 1HA GLY 139 1HA GLY 139 26.830 8.052 7.740 1197 2HA GLY 139 2HA GLY 139 28.068 8.323 6.480 1198 HA PRO 140 HA PRO 140 28.930 10.727 10.485 1199 1HB PRO 140 1HB PRO 140 30.388 8.855 11.937 1200 2HB PRO 140 2HB PRO 140 28.658 9.165 12.175 1201 1HG PRO 140 1HG PRO 140 29.984 6.890 10.739 1202 2HG PRO 140 2HG PRO 140 28.461 6.906 11.646 1203 1HD PRO 140 1HD PRO 140 28.629 6.982 8.856 1204 2HD PRO 140 2HD PRO 140 27.227 7.553 9.784 1205 H GLU 141 H GLU 141 30.297 9.077 7.965 1206 HA GLU 141 HA GLU 141 33.105 9.820 8.467 1207 1HB GLU 141 1HB GLU 141 33.430 7.877 7.368 1208 2HB GLU 141 2HB GLU 141 31.696 7.756 7.017 1209 1HG GLU 141 1HG GLU 141 31.942 9.248 5.108 1210 2HG GLU 141 2HG GLU 141 33.652 9.469 5.469 1211 H ASP 142 H ASP 142 30.247 10.960 6.723 1212 HA ASP 142 HA ASP 142 31.857 12.292 4.681 1213 1HB ASP 142 1HB ASP 142 28.995 12.401 5.586 1214 2HB ASP 142 2HB ASP 142 29.626 13.673 4.532 1215 H LEU 143 H LEU 143 31.152 12.735 7.970 1216 HA LEU 143 HA LEU 143 31.645 15.617 8.066 1217 1HB LEU 143 1HB LEU 143 31.421 13.507 10.218 1218 2HB LEU 143 2HB LEU 143 31.546 15.241 10.516 1219 HG LEU 143 HG LEU 143 29.485 15.256 8.797 1220 1HD1 LEU 143 1HD1 LEU 143 29.509 12.546 10.136 1221 2HD1 LEU 143 2HD1 LEU 143 28.029 13.280 9.520 1222 3HD1 LEU 143 3HD1 LEU 143 29.356 12.911 8.418 1223 1HD2 LEU 143 1HD2 LEU 143 29.760 15.998 11.293 1224 2HD2 LEU 143 2HD2 LEU 143 28.139 15.693 10.672 1225 3HD2 LEU 143 3HD2 LEU 143 28.948 14.477 11.657 1226 H ASN 144 H ASN 144 33.400 12.840 7.683 1227 HA ASN 144 HA ASN 144 35.558 12.526 9.115 1228 1HB ASN 144 1HB ASN 144 35.238 11.516 6.914 1229 2HB ASN 144 2HB ASN 144 35.664 13.048 6.160 1230 1HD2 ASN 144 2HD2 ASN 144 38.630 11.363 8.372 1231 2HD2 ASN 144 1HD2 ASN 144 37.039 11.411 8.983 1232 H ARG 145 H ARG 145 37.468 13.480 9.471 1233 HA ARG 145 HA ARG 145 37.490 16.386 9.353 1234 1HB ARG 145 1HB ARG 145 39.992 15.874 10.167 1235 2HB ARG 145 2HB ARG 145 38.619 15.829 11.264 1236 1HG ARG 145 1HG ARG 145 38.784 13.585 11.565 1237 2HG ARG 145 2HG ARG 145 39.062 13.290 9.841 1238 1HD ARG 145 1HD ARG 145 41.202 12.842 10.412 1239 2HD ARG 145 2HD ARG 145 41.383 14.582 10.635 1240 HE ARG 145 HE ARG 145 40.389 13.053 12.964 1241 1HH1 ARG 145 1HH1 ARG 145 42.036 15.765 12.307 1242 2HH1 ARG 145 2HH1 ARG 145 43.449 15.416 13.247 1243 1HH2 ARG 145 1HH2 ARG 145 42.615 12.092 13.759 1244 2HH2 ARG 145 2HH2 ARG 145 43.777 13.338 14.066 1245 H ALA 146 H ALA 146 38.892 13.757 7.564 1246 HA ALA 146 HA ALA 146 40.851 15.288 6.089 1247 1HB ALA 146 1HB ALA 146 40.371 12.653 6.271 1248 2HB ALA 146 2HB ALA 146 39.380 12.995 4.844 1249 3HB ALA 146 3HB ALA 146 41.117 13.348 4.829 1250 H CYS 147 H CYS 147 37.501 14.465 5.840 1251 HA CYS 147 HA CYS 147 37.014 15.665 3.214 1252 1HB CYS 147 1HB CYS 147 35.755 13.825 4.528 1253 2HB CYS 147 2HB CYS 147 34.978 15.204 5.330 1254 HG CYS 147 HG CYS 147 34.823 15.544 2.326 1255 H ILE 148 H ILE 148 36.655 16.571 6.553 1256 HA ILE 148 HA ILE 148 35.338 19.040 6.001 1257 HB ILE 148 HB ILE 148 36.875 17.897 8.336 1258 1HG1 ILE 148 1HG1 ILE 148 34.963 16.858 8.848 1259 2HG1 ILE 148 2HG1 ILE 148 34.137 18.399 8.949 1260 1HG2 ILE 148 2HG2 ILE 148 35.459 20.488 7.915 1261 2HG2 ILE 148 3HG2 ILE 148 35.751 19.846 9.531 1262 3HG2 ILE 148 1HG2 ILE 148 37.106 20.203 8.462 1263 1HD1 ILE 148 2HD1 ILE 148 34.508 16.754 6.432 1264 2HD1 ILE 148 3HD1 ILE 148 33.029 16.817 7.391 1265 3HD1 ILE 148 1HD1 ILE 148 33.609 18.275 6.552 1266 H ALA 149 H ALA 149 38.367 17.576 5.956 1267 HA ALA 149 HA ALA 149 40.038 20.011 5.843 1268 1HB ALA 149 1HB ALA 149 40.522 17.043 5.646 1269 2HB ALA 149 2HB ALA 149 41.799 18.228 5.388 1270 3HB ALA 149 3HB ALA 149 41.004 18.109 6.958 1271 H GLU 150 H GLU 150 37.889 19.118 4.023 1272 HA GLU 150 HA GLU 150 39.245 19.399 1.419 1273 1HB GLU 150 1HB GLU 150 38.523 17.311 0.983 1274 2HB GLU 150 2HB GLU 150 37.541 17.261 2.450 1275 1HG GLU 150 1HG GLU 150 35.725 18.385 1.375 1276 2HG GLU 150 2HG GLU 150 36.709 18.777 -0.035 1277 H LYS 151 H LYS 151 36.491 19.797 3.528 1278 HA LYS 151 HA LYS 151 34.968 21.505 1.759 1279 1HB LYS 151 1HB LYS 151 33.471 20.696 3.270 1280 2HB LYS 151 2HB LYS 151 34.754 20.186 4.368 1281 1HG LYS 151 1HG LYS 151 34.821 22.267 5.438 1282 2HG LYS 151 2HG LYS 151 33.967 23.082 4.121 1283 1HD LYS 151 1HD LYS 151 32.771 20.930 5.905 1284 2HD LYS 151 2HD LYS 151 32.468 22.665 6.065 1285 1HE LYS 151 1HE LYS 151 31.695 20.853 3.772 1286 2HE LYS 151 2HE LYS 151 30.639 21.842 4.775 1287 1HZ LYS 151 1HZ LYS 151 32.122 23.752 3.847 1288 2HZ LYS 151 2HZ LYS 151 32.404 22.649 2.586 1289 3HZ LYS 151 3HZ LYS 151 30.821 23.150 2.943 1290 H LEU 152 H LEU 152 37.530 21.586 4.037 1291 HA LEU 152 HA LEU 152 37.797 24.552 3.786 1292 1HB LEU 152 1HB LEU 152 39.038 22.792 5.931 1293 2HB LEU 152 2HB LEU 152 39.042 24.550 5.868 1294 HG LEU 152 HG LEU 152 36.328 23.564 5.768 1295 1HD1 LEU 152 1HD1 LEU 152 38.124 22.018 7.369 1296 2HD1 LEU 152 2HD1 LEU 152 37.123 22.983 8.461 1297 3HD1 LEU 152 3HD1 LEU 152 36.367 21.904 7.290 1298 1HD2 LEU 152 2HD2 LEU 152 37.909 25.160 7.810 1299 2HD2 LEU 152 3HD2 LEU 152 37.026 25.834 6.442 1300 3HD2 LEU 152 1HD2 LEU 152 36.153 25.046 7.755 1301 H GLY 153 H GLY 153 39.314 21.350 3.893 1302 1HA GLY 153 1HA GLY 153 41.916 22.322 2.975 1303 2HA GLY 153 2HA GLY 153 41.464 20.682 3.332 1304 H GLY 154 H GLY 154 39.146 21.955 1.489 1305 1HA GLY 154 1HA GLY 154 40.307 20.721 -0.979 1306 2HA GLY 154 2HA GLY 154 38.580 20.960 -0.703 1307 H SER 155 H SER 155 40.752 23.462 0.250 1308 HA SER 155 HA SER 155 40.470 24.935 -2.268 1309 1HB SER 155 1HB SER 155 38.988 25.712 0.241 1310 2HB SER 155 2HB SER 155 39.353 26.868 -1.038 1311 HG SER 155 HG SER 155 38.386 25.007 -2.391 1312 H LEU 156 H LEU 156 40.956 26.009 1.156 1313 HA LEU 156 HA LEU 156 43.774 26.524 0.473 1314 1HB LEU 156 1HB LEU 156 42.616 28.961 1.502 1315 2HB LEU 156 2HB LEU 156 43.656 28.723 0.104 1316 HG LEU 156 HG LEU 156 40.779 27.901 -0.053 1317 1HD1 LEU 156 3HD1 LEU 156 41.870 30.682 0.046 1318 2HD1 LEU 156 1HD1 LEU 156 40.558 30.331 -1.080 1319 3HD1 LEU 156 2HD1 LEU 156 40.333 30.059 0.647 1320 1HD2 LEU 156 3HD2 LEU 156 43.032 28.139 -1.813 1321 2HD2 LEU 156 1HD2 LEU 156 41.419 27.519 -2.179 1322 3HD2 LEU 156 2HD2 LEU 156 41.767 29.242 -2.357 1323 H ILE 157 H ILE 157 43.467 24.870 2.580 1324 HA ILE 157 HA ILE 157 43.690 26.786 4.829 1325 HB ILE 157 HB ILE 157 43.176 24.890 6.342 1326 1HG1 ILE 157 1HG1 ILE 157 42.322 23.582 3.761 1327 2HG1 ILE 157 2HG1 ILE 157 43.702 23.058 4.755 1328 1HG2 ILE 157 1HG2 ILE 157 41.480 26.483 4.710 1329 2HG2 ILE 157 2HG2 ILE 157 40.738 24.888 4.852 1330 3HG2 ILE 157 3HG2 ILE 157 41.139 25.808 6.304 1331 1HD1 ILE 157 3HD1 ILE 157 41.770 23.335 6.615 1332 2HD1 ILE 157 1HD1 ILE 157 40.825 22.774 5.218 1333 3HD1 ILE 157 2HD1 ILE 157 42.167 21.803 5.820 1334 H VAL 158 H VAL 158 44.838 24.279 6.310 1335 HA VAL 158 HA VAL 158 47.414 23.929 5.023 1336 HB VAL 158 HB VAL 158 47.048 25.848 7.305 1337 1HG1 VAL 158 2HG1 VAL 158 49.483 24.169 6.665 1338 2HG1 VAL 158 3HG1 VAL 158 49.560 25.652 7.616 1339 3HG1 VAL 158 1HG1 VAL 158 48.624 24.275 8.201 1340 1HG2 VAL 158 3HG2 VAL 158 48.426 25.788 4.630 1341 2HG2 VAL 158 1HG2 VAL 158 47.302 26.984 5.265 1342 3HG2 VAL 158 2HG2 VAL 158 48.956 26.927 5.869 1343 H ALA 159 H ALA 159 45.294 23.528 7.736 1344 HA ALA 159 HA ALA 159 46.591 20.946 8.376 1345 1HB ALA 159 3HB ALA 159 45.590 23.043 10.310 1346 2HB ALA 159 1HB ALA 159 45.887 21.368 10.768 1347 3HB ALA 159 2HB ALA 159 47.217 22.376 10.204 1348 H PHE 160 H PHE 160 45.188 19.386 9.037 1349 HA PHE 160 HA PHE 160 43.050 18.335 9.312 1350 1HB PHE 160 1HB PHE 160 42.166 20.996 9.136 1351 2HB PHE 160 2HB PHE 160 41.476 20.212 7.712 1352 HD1 PHE 160 HD1 PHE 160 42.335 18.819 11.032 1353 HD2 PHE 160 HD2 PHE 160 39.233 19.814 8.264 1354 HE1 PHE 160 HE1 PHE 160 40.680 17.696 12.506 1355 HE2 PHE 160 HE2 PHE 160 37.562 18.702 9.733 1356 HZ PHE 160 HZ PHE 160 38.285 17.641 11.848 1357 H GLU 161 H GLU 161 43.888 20.366 6.655 1358 HA GLU 161 HA GLU 161 43.596 18.178 4.684 1359 1HB GLU 161 1HB GLU 161 42.664 20.613 4.383 1360 2HB GLU 161 2HB GLU 161 44.341 21.029 4.069 1361 1HG GLU 161 1HG GLU 161 43.858 18.682 2.582 1362 2HG GLU 161 2HG GLU 161 42.467 19.721 2.297 1363 H GLY 162 H GLY 162 45.794 20.123 6.576 1364 1HA GLY 162 1HA GLY 162 48.070 19.059 4.943 1365 2HA GLY 162 2HA GLY 162 48.105 20.620 5.739 1366 H CYS 163 H CYS 163 48.270 20.628 8.135 1367 HA CYS 163 HA CYS 163 50.226 18.937 9.115 1368 1HB CYS 163 1HB CYS 163 48.309 20.773 10.390 1369 2HB CYS 163 2HB CYS 163 49.116 19.613 11.447 1370 HG CYS 163 HG CYS 163 50.421 22.054 10.332 1371 HA PRO 164 HA PRO 164 47.413 15.969 11.455 1372 1HB PRO 164 1HB PRO 164 44.703 16.487 11.440 1373 2HB PRO 164 2HB PRO 164 45.816 17.012 12.718 1374 1HG PRO 164 1HG PRO 164 44.619 18.590 10.484 1375 2HG PRO 164 2HG PRO 164 45.070 19.124 12.109 1376 1HD PRO 164 1HD PRO 164 46.645 19.654 9.864 1377 2HD PRO 164 2HD PRO 164 47.263 19.547 11.517 1378 H VAL 165 H VAL 165 45.814 17.373 8.572 1379 HA VAL 165 HA VAL 165 46.047 14.706 7.314 1380 HB VAL 165 HB VAL 165 43.379 15.374 6.699 1381 1HG1 VAL 165 3HG1 VAL 165 44.903 13.174 7.445 1382 2HG1 VAL 165 1HG1 VAL 165 43.706 13.309 8.734 1383 3HG1 VAL 165 2HG1 VAL 165 43.183 13.159 7.055 1384 1HG2 VAL 165 3HG2 VAL 165 43.730 16.711 8.961 1385 2HG2 VAL 165 1HG2 VAL 165 42.261 15.775 8.702 1386 3HG2 VAL 165 2HG2 VAL 165 43.569 15.113 9.683 No H/Q in entry = 1386 Start of MODEL 13 1 1H THR -8 2H THR -8 -14.365 17.756 6.790 2 2H THR -8 3H THR -8 -15.804 17.079 6.193 3 3H THR -8 1H THR -8 -15.289 16.720 7.770 4 HA THR -8 HA THR -8 -14.048 15.035 7.083 5 HB THR -8 HB THR -8 -14.508 14.147 4.876 6 HG1 THR -8 HG1 THR -8 -14.945 16.838 4.350 7 1HG2 THR -8 3HG2 THR -8 -16.383 14.387 6.646 8 2HG2 THR -8 1HG2 THR -8 -17.009 15.663 5.603 9 3HG2 THR -8 2HG2 THR -8 -16.859 14.017 4.989 10 H MET -7 H MET -7 -11.861 15.132 7.072 11 HA MET -7 HA MET -7 -10.389 16.059 4.767 12 1HB MET -7 1HB MET -7 -11.146 18.181 6.156 13 2HB MET -7 2HB MET -7 -9.798 17.716 7.195 14 1HG MET -7 1HG MET -7 -8.945 17.522 4.466 15 2HG MET -7 2HG MET -7 -9.690 19.103 4.707 16 1HE MET -7 2HE MET -7 -8.840 20.912 5.643 17 2HE MET -7 3HE MET -7 -9.059 20.400 7.324 18 3HE MET -7 1HE MET -7 -7.528 21.100 6.802 19 H ILE -6 H ILE -6 -7.896 16.359 5.665 20 HA ILE -6 HA ILE -6 -7.373 13.781 7.009 21 HB ILE -6 HB ILE -6 -5.643 15.787 5.563 22 1HG1 ILE -6 1HG1 ILE -6 -5.408 12.986 4.847 23 2HG1 ILE -6 2HG1 ILE -6 -7.095 13.501 4.796 24 1HG2 ILE -6 1HG2 ILE -6 -4.792 13.365 7.175 25 2HG2 ILE -6 2HG2 ILE -6 -3.746 14.222 6.044 26 3HG2 ILE -6 3HG2 ILE -6 -4.347 15.045 7.484 27 1HD1 ILE -6 2HD1 ILE -6 -5.233 15.461 3.643 28 2HD1 ILE -6 3HD1 ILE -6 -5.259 13.922 2.783 29 3HD1 ILE -6 1HD1 ILE -6 -6.751 14.838 2.997 30 H THR -5 H THR -5 -5.780 13.687 8.768 31 HA THR -5 HA THR -5 -5.787 16.159 10.453 32 HB THR -5 HB THR -5 -5.853 14.670 12.433 33 HG1 THR -5 HG1 THR -5 -5.763 12.564 12.216 34 1HG2 THR -5 2HG2 THR -5 -7.969 15.090 10.544 35 2HG2 THR -5 3HG2 THR -5 -8.178 13.502 11.285 36 3HG2 THR -5 1HG2 THR -5 -8.079 14.941 12.298 37 HA PRO -4 HA PRO -4 -1.425 15.664 10.414 38 1HB PRO -4 1HB PRO -4 -0.853 17.192 12.629 39 2HB PRO -4 2HB PRO -4 -1.307 17.872 11.057 40 1HG PRO -4 1HG PRO -4 -2.932 17.664 13.548 41 2HG PRO -4 2HG PRO -4 -3.070 18.816 12.210 42 1HD PRO -4 1HD PRO -4 -4.727 16.555 12.637 43 2HD PRO -4 2HD PRO -4 -4.648 17.531 11.154 44 H SER -3 H SER -3 0.401 14.981 11.975 45 HA SER -3 HA SER -3 -0.469 13.502 14.363 46 1HB SER -3 1HB SER -3 -0.895 11.698 12.944 47 2HB SER -3 2HB SER -3 0.366 12.164 11.807 48 HG SER -3 HG SER -3 1.658 10.913 12.877 49 H SER -2 H SER -2 2.230 13.954 12.056 50 HA SER -2 HA SER -2 4.133 13.829 14.328 51 1HB SER -2 1HB SER -2 4.309 12.885 11.758 52 2HB SER -2 2HB SER -2 5.177 14.412 11.629 53 HG SER -2 HG SER -2 5.628 12.378 13.565 54 H GLY -1 H GLY -1 6.110 15.551 13.603 55 1HA GLY -1 1HA GLY -1 4.741 18.212 13.478 56 2HA GLY -1 2HA GLY -1 6.104 17.902 14.556 57 H ASN 0 H ASN 0 5.159 18.234 11.175 58 HA ASN 0 HA ASN 0 7.332 19.688 10.264 59 1HB ASN 0 1HB ASN 0 8.704 17.822 9.159 60 2HB ASN 0 2HB ASN 0 8.934 18.048 10.892 61 1HD2 ASN 0 2HD2 ASN 0 8.276 14.601 11.289 62 2HD2 ASN 0 1HD2 ASN 0 9.373 15.877 11.513 63 H SER 1 H SER 1 4.652 19.444 9.598 64 HA SER 1 HA SER 1 3.840 17.835 7.507 65 1HB SER 1 1HB SER 1 3.000 20.297 8.599 66 2HB SER 1 2HB SER 1 3.127 20.556 6.861 67 HG SER 1 HG SER 1 1.191 19.648 7.004 68 H ALA 2 H ALA 2 5.309 17.238 5.938 69 HA ALA 2 HA ALA 2 6.726 17.447 4.078 70 1HB ALA 2 3HB ALA 2 4.580 19.442 3.807 71 2HB ALA 2 1HB ALA 2 6.022 19.811 2.861 72 3HB ALA 2 2HB ALA 2 5.186 18.274 2.632 73 H SER 3 H SER 3 8.079 18.216 6.314 74 HA SER 3 HA SER 3 9.957 19.468 6.974 75 1HB SER 3 1HB SER 3 10.197 20.947 4.439 76 2HB SER 3 2HB SER 3 11.385 19.947 5.274 77 HG SER 3 HG SER 3 9.669 19.328 3.249 78 H GLY 4 H GLY 4 8.700 20.783 8.416 79 1HA GLY 4 1HA GLY 4 8.263 23.551 7.379 80 2HA GLY 4 2HA GLY 4 7.056 22.780 8.409 81 H VAL 5 H VAL 5 10.362 22.060 9.062 82 HA VAL 5 HA VAL 5 10.315 22.801 11.762 83 HB VAL 5 HB VAL 5 12.913 23.462 10.769 84 1HG1 VAL 5 1HG1 VAL 5 11.507 21.534 12.488 85 2HG1 VAL 5 2HG1 VAL 5 13.091 21.010 11.900 86 3HG1 VAL 5 3HG1 VAL 5 12.938 22.508 12.823 87 1HG2 VAL 5 2HG2 VAL 5 11.727 20.900 9.675 88 2HG2 VAL 5 3HG2 VAL 5 12.269 22.275 8.714 89 3HG2 VAL 5 1HG2 VAL 5 13.440 21.325 9.631 90 H GLN 6 H GLN 6 10.832 24.621 12.908 91 HA GLN 6 HA GLN 6 10.825 27.103 11.274 92 1HB GLN 6 1HB GLN 6 9.647 27.095 13.982 93 2HB GLN 6 2HB GLN 6 9.063 27.868 12.497 94 1HG GLN 6 1HG GLN 6 7.765 26.068 12.007 95 2HG GLN 6 2HG GLN 6 9.151 24.984 12.193 96 1HE2 GLN 6 2HE2 GLN 6 8.571 24.272 15.575 97 2HE2 GLN 6 1HE2 GLN 6 9.802 24.592 14.461 98 H VAL 7 H VAL 7 13.026 25.531 12.749 99 HA VAL 7 HA VAL 7 14.959 26.182 14.045 100 HB VAL 7 HB VAL 7 13.971 28.875 13.091 101 1HG1 VAL 7 3HG1 VAL 7 15.988 28.479 14.849 102 2HG1 VAL 7 1HG1 VAL 7 16.866 28.346 13.338 103 3HG1 VAL 7 2HG1 VAL 7 15.955 29.809 13.708 104 1HG2 VAL 7 2HG2 VAL 7 14.357 26.962 11.395 105 2HG2 VAL 7 3HG2 VAL 7 15.123 28.519 11.072 106 3HG2 VAL 7 1HG2 VAL 7 16.069 27.193 11.750 107 H ALA 8 H ALA 8 15.603 27.179 15.966 108 HA ALA 8 HA ALA 8 13.330 27.753 17.802 109 1HB ALA 8 2HB ALA 8 15.396 25.867 17.738 110 2HB ALA 8 3HB ALA 8 15.830 26.977 19.042 111 3HB ALA 8 1HB ALA 8 14.268 26.145 19.073 112 H ASP 9 H ASP 9 15.919 29.284 16.317 113 HA ASP 9 HA ASP 9 16.679 31.501 16.601 114 1HB ASP 9 1HB ASP 9 15.553 31.451 19.396 115 2HB ASP 9 2HB ASP 9 16.007 32.846 18.425 116 H GLU 10 H GLU 10 16.895 29.267 19.376 117 HA GLU 10 HA GLU 10 19.407 30.223 20.336 118 1HB GLU 10 1HB GLU 10 18.911 28.603 21.849 119 2HB GLU 10 2HB GLU 10 17.688 27.927 20.778 120 1HG GLU 10 1HG GLU 10 19.185 26.403 19.813 121 2HG GLU 10 2HG GLU 10 20.604 27.361 20.256 122 H VAL 11 H VAL 11 18.389 28.608 17.495 123 HA VAL 11 HA VAL 11 20.893 27.385 16.795 124 HB VAL 11 HB VAL 11 19.671 26.501 15.145 125 1HG1 VAL 11 2HG1 VAL 11 17.572 28.509 15.951 126 2HG1 VAL 11 3HG1 VAL 11 17.302 27.167 14.852 127 3HG1 VAL 11 1HG1 VAL 11 17.723 26.846 16.536 128 1HG2 VAL 11 2HG2 VAL 11 19.323 29.358 14.227 129 2HG2 VAL 11 3HG2 VAL 11 20.560 28.222 13.697 130 3HG2 VAL 11 1HG2 VAL 11 18.874 27.947 13.272 131 H CYS 12 H CYS 12 19.358 30.448 16.158 132 HA CYS 12 HA CYS 12 21.444 31.453 14.414 133 1HB CYS 12 1HB CYS 12 19.211 32.504 14.514 134 2HB CYS 12 2HB CYS 12 19.469 32.916 16.204 135 HG CYS 12 HG CYS 12 20.387 34.590 13.922 136 H ARG 13 H ARG 13 21.740 30.459 17.533 137 HA ARG 13 HA ARG 13 23.723 32.590 18.187 138 1HB ARG 13 1HB ARG 13 23.241 32.392 20.399 139 2HB ARG 13 2HB ARG 13 21.672 31.853 19.788 140 1HG ARG 13 1HG ARG 13 22.198 30.108 21.241 141 2HG ARG 13 2HG ARG 13 22.887 29.491 19.740 142 1HD ARG 13 1HD ARG 13 25.003 29.653 20.518 143 2HD ARG 13 2HD ARG 13 24.713 31.260 21.184 144 HE ARG 13 HE ARG 13 24.045 30.241 23.257 145 1HH1 ARG 13 1HH2 ARG 13 23.408 27.846 21.036 146 2HH1 ARG 13 2HH2 ARG 13 24.079 26.545 21.961 147 1HH2 ARG 13 1HH1 ARG 13 25.515 28.617 24.339 148 2HH2 ARG 13 2HH1 ARG 13 25.271 26.980 23.827 149 H ILE 14 H ILE 14 23.136 29.336 17.367 150 HA ILE 14 HA ILE 14 25.421 28.127 18.564 151 HB ILE 14 HB ILE 14 24.217 27.403 15.901 152 1HG1 ILE 14 1HG1 ILE 14 23.230 26.252 18.500 153 2HG1 ILE 14 2HG1 ILE 14 22.459 27.651 17.740 154 1HG2 ILE 14 2HG2 ILE 14 25.801 26.020 18.041 155 2HG2 ILE 14 3HG2 ILE 14 24.812 25.038 16.918 156 3HG2 ILE 14 1HG2 ILE 14 26.119 26.105 16.329 157 1HD1 ILE 14 1HD1 ILE 14 22.274 26.333 15.605 158 2HD1 ILE 14 2HD1 ILE 14 22.901 24.928 16.458 159 3HD1 ILE 14 3HD1 ILE 14 21.346 25.621 16.923 160 H PHE 15 H PHE 15 24.795 29.147 15.238 161 HA PHE 15 HA PHE 15 27.443 28.955 14.274 162 1HB PHE 15 1HB PHE 15 26.145 29.517 12.485 163 2HB PHE 15 2HB PHE 15 24.903 30.218 13.526 164 HD1 PHE 15 HD2 PHE 15 28.370 30.986 12.261 165 HD2 PHE 15 HD1 PHE 15 24.503 32.443 13.405 166 HE1 PHE 15 HE2 PHE 15 29.011 33.270 11.528 167 HE2 PHE 15 HE1 PHE 15 25.138 34.702 12.685 168 HZ PHE 15 HZ PHE 15 27.388 35.137 11.742 169 H TYR 16 H TYR 16 25.693 31.675 15.716 170 HA TYR 16 HA TYR 16 27.650 33.639 16.088 171 1HB TYR 16 1HB TYR 16 25.417 32.557 17.776 172 2HB TYR 16 2HB TYR 16 26.415 33.877 18.370 173 HD1 TYR 16 HD1 TYR 16 26.448 34.416 14.960 174 HD2 TYR 16 HD2 TYR 16 23.765 34.552 18.306 175 HE1 TYR 16 HE1 TYR 16 25.022 36.049 13.766 176 HE2 TYR 16 HE2 TYR 16 22.342 36.164 17.109 177 HH TYR 16 HH TYR 16 22.159 36.626 14.155 178 H ASP 17 H ASP 17 27.191 30.588 17.867 179 HA ASP 17 HA ASP 17 28.822 31.404 20.117 180 1HB ASP 17 1HB ASP 17 27.237 29.110 19.361 181 2HB ASP 17 2HB ASP 17 28.778 28.592 20.044 182 H MET 18 H MET 18 29.414 29.324 17.355 183 HA MET 18 HA MET 18 32.230 29.064 18.155 184 1HB MET 18 1HB MET 18 32.142 27.667 15.917 185 2HB MET 18 2HB MET 18 31.627 27.003 17.456 186 1HG MET 18 1HG MET 18 29.607 28.491 15.829 187 2HG MET 18 2HG MET 18 30.032 26.853 15.334 188 1HE MET 18 3HE MET 18 30.349 25.140 16.702 189 2HE MET 18 1HE MET 18 30.748 25.582 18.383 190 3HE MET 18 2HE MET 18 29.306 24.624 18.019 191 H LYS 19 H LYS 19 30.855 31.563 16.956 192 HA LYS 19 HA LYS 19 31.622 32.123 14.365 193 1HB LYS 19 1HB LYS 19 30.488 33.632 16.145 194 2HB LYS 19 2HB LYS 19 32.122 34.150 16.540 195 1HG LYS 19 1HG LYS 19 31.836 35.659 14.869 196 2HG LYS 19 2HG LYS 19 32.134 34.291 13.796 197 1HD LYS 19 1HD LYS 19 29.608 33.814 14.004 198 2HD LYS 19 2HD LYS 19 29.487 35.450 14.655 199 1HE LYS 19 1HE LYS 19 30.566 34.652 11.936 200 2HE LYS 19 2HE LYS 19 29.106 35.583 12.267 201 1HZ LYS 19 1HZ LYS 19 30.928 37.026 13.567 202 2HZ LYS 19 2HZ LYS 19 31.884 36.420 12.301 203 3HZ LYS 19 3HZ LYS 19 30.483 37.316 11.958 204 H VAL 20 H VAL 20 33.744 33.507 16.882 205 HA VAL 20 HA VAL 20 36.066 32.411 15.387 206 HB VAL 20 HB VAL 20 35.740 34.771 14.791 207 1HG1 VAL 20 3HG1 VAL 20 34.583 35.228 17.053 208 2HG1 VAL 20 1HG1 VAL 20 36.212 35.442 17.693 209 3HG1 VAL 20 2HG1 VAL 20 35.624 36.495 16.406 210 1HG2 VAL 20 2HG2 VAL 20 38.076 33.608 15.560 211 2HG2 VAL 20 3HG2 VAL 20 37.979 35.253 14.932 212 3HG2 VAL 20 1HG2 VAL 20 38.026 34.976 16.672 213 H ARG 21 H ARG 21 34.963 33.857 18.375 214 HA ARG 21 HA ARG 21 36.481 31.915 19.945 215 1HB ARG 21 1HB ARG 21 37.311 34.790 19.734 216 2HB ARG 21 2HB ARG 21 37.536 33.933 21.259 217 1HG ARG 21 1HG ARG 21 38.510 32.082 19.533 218 2HG ARG 21 2HG ARG 21 38.914 33.560 18.658 219 1HD ARG 21 1HD ARG 21 40.346 34.318 20.324 220 2HD ARG 21 2HD ARG 21 39.520 33.409 21.592 221 HE ARG 21 HE ARG 21 40.750 31.629 19.677 222 1HH1 ARG 21 1HH2 ARG 21 41.985 34.108 21.619 223 2HH1 ARG 21 2HH2 ARG 21 43.114 33.104 22.466 224 1HH2 ARG 21 1HH1 ARG 21 41.932 30.151 21.082 225 2HH2 ARG 21 2HH1 ARG 21 43.083 30.864 22.162 226 H LYS 22 H LYS 22 35.267 35.192 20.602 227 HA LYS 22 HA LYS 22 33.824 35.895 22.342 228 1HB LYS 22 1HB LYS 22 32.475 34.137 20.483 229 2HB LYS 22 2HB LYS 22 31.765 33.979 22.090 230 1HG LYS 22 1HG LYS 22 30.880 36.066 22.027 231 2HG LYS 22 2HG LYS 22 32.348 36.758 21.338 232 1HD LYS 22 1HD LYS 22 31.536 35.386 19.192 233 2HD LYS 22 2HD LYS 22 29.962 35.618 19.955 234 1HE LYS 22 1HE LYS 22 31.901 37.705 18.973 235 2HE LYS 22 2HE LYS 22 30.185 37.530 18.602 236 1HZ LYS 22 1HZ LYS 22 29.708 38.044 20.944 237 2HZ LYS 22 2HZ LYS 22 31.359 38.331 21.208 238 3HZ LYS 22 3HZ LYS 22 30.486 39.322 20.140 239 H CYS 23 H CYS 23 35.706 34.649 23.680 240 HA CYS 23 HA CYS 23 34.240 32.817 25.537 241 1HB CYS 23 1HB CYS 23 36.915 32.055 25.676 242 2HB CYS 23 2HB CYS 23 35.573 31.149 24.986 243 HG CYS 23 HG CYS 23 37.769 32.547 23.384 244 H SER 24 H SER 24 33.936 34.411 27.103 245 HA SER 24 HA SER 24 35.302 36.447 28.201 246 1HB SER 24 1HB SER 24 33.747 34.279 29.238 247 2HB SER 24 2HB SER 24 35.086 34.568 30.353 248 HG SER 24 HG SER 24 32.862 36.074 29.849 249 H THR 25 H THR 25 35.963 33.312 29.246 250 HA THR 25 HA THR 25 38.872 33.531 28.912 251 HB THR 25 HB THR 25 38.022 33.941 31.404 252 HG1 THR 25 HG1 THR 25 40.076 32.419 30.358 253 1HG2 THR 25 1HG2 THR 25 36.454 32.061 31.317 254 2HG2 THR 25 2HG2 THR 25 37.813 30.957 31.054 255 3HG2 THR 25 3HG2 THR 25 37.661 31.825 32.589 256 HA PRO 26 HA PRO 26 37.048 30.171 26.826 257 1HB PRO 26 1HB PRO 26 39.381 29.203 25.654 258 2HB PRO 26 2HB PRO 26 38.446 30.584 25.054 259 1HG PRO 26 1HG PRO 26 41.006 30.572 26.597 260 2HG PRO 26 2HG PRO 26 40.404 31.765 25.429 261 1HD PRO 26 1HD PRO 26 40.312 32.060 28.238 262 2HD PRO 26 2HD PRO 26 39.348 32.991 27.075 263 H GLU 27 H GLU 27 39.233 29.905 29.387 264 HA GLU 27 HA GLU 27 39.697 27.022 29.385 265 1HB GLU 27 1HB GLU 27 39.885 29.097 31.565 266 2HB GLU 27 2HB GLU 27 40.515 27.452 31.685 267 1HG GLU 27 1HG GLU 27 41.367 29.472 29.585 268 2HG GLU 27 2HG GLU 27 42.283 29.108 31.048 269 H GLU 28 H GLU 28 36.942 28.681 29.753 270 HA GLU 28 HA GLU 28 35.708 26.585 31.435 271 1HB GLU 28 1HB GLU 28 34.638 28.078 32.897 272 2HB GLU 28 2HB GLU 28 36.173 28.913 32.657 273 1HG GLU 28 1HG GLU 28 35.185 30.287 30.891 274 2HG GLU 28 2HG GLU 28 33.653 29.428 31.057 275 H ILE 29 H ILE 29 35.618 29.094 29.153 276 HA ILE 29 HA ILE 29 33.204 29.220 27.997 277 HB ILE 29 HB ILE 29 35.971 29.414 27.484 278 1HG1 ILE 29 1HG1 ILE 29 35.374 31.583 26.818 279 2HG1 ILE 29 2HG1 ILE 29 33.736 31.109 26.367 280 1HG2 ILE 29 2HG2 ILE 29 34.064 28.639 25.376 281 2HG2 ILE 29 3HG2 ILE 29 35.556 29.481 24.990 282 3HG2 ILE 29 1HG2 ILE 29 35.611 27.920 25.803 283 1HD1 ILE 29 1HD1 ILE 29 34.719 30.726 29.150 284 2HD1 ILE 29 2HD1 ILE 29 34.237 32.339 28.637 285 3HD1 ILE 29 3HD1 ILE 29 33.071 31.014 28.595 286 H LYS 30 H LYS 30 35.698 26.778 27.619 287 HA LYS 30 HA LYS 30 34.691 25.203 25.557 288 1HB LYS 30 1HB LYS 30 35.492 23.714 28.004 289 2HB LYS 30 2HB LYS 30 36.065 23.517 26.359 290 1HG LYS 30 1HG LYS 30 37.413 25.616 26.633 291 2HG LYS 30 2HG LYS 30 36.891 25.682 28.316 292 1HD LYS 30 1HD LYS 30 38.171 23.185 27.241 293 2HD LYS 30 2HD LYS 30 39.171 24.542 27.766 294 1HE LYS 30 1HE LYS 30 38.950 23.768 29.871 295 2HE LYS 30 2HE LYS 30 37.257 24.256 29.790 296 1HZ LYS 30 1HZ LYS 30 38.285 21.629 28.866 297 2HZ LYS 30 2HZ LYS 30 37.580 21.898 30.388 298 3HZ LYS 30 3HZ LYS 30 36.662 22.104 28.974 299 H LYS 31 H LYS 31 33.931 25.338 28.915 300 HA LYS 31 HA LYS 31 31.751 23.348 28.730 301 1HB LYS 31 1HB LYS 31 32.680 25.085 31.041 302 2HB LYS 31 2HB LYS 31 31.428 23.850 31.156 303 1HG LYS 31 1HG LYS 31 33.947 22.934 29.918 304 2HG LYS 31 2HG LYS 31 34.084 23.386 31.616 305 1HD LYS 31 1HD LYS 31 32.565 21.752 32.313 306 2HD LYS 31 2HD LYS 31 31.804 21.641 30.726 307 1HE LYS 31 1HE LYS 31 33.523 20.326 29.845 308 2HE LYS 31 2HE LYS 31 34.694 20.882 31.040 309 1HZ LYS 31 2HZ LYS 31 32.497 19.604 32.299 310 2HZ LYS 31 3HZ LYS 31 33.187 18.576 31.139 311 3HZ LYS 31 1HZ LYS 31 34.150 19.223 32.380 312 H ARG 32 H ARG 32 31.550 25.870 27.233 313 HA ARG 32 HA ARG 32 29.134 27.014 28.496 314 1HB ARG 32 1HB ARG 32 31.159 28.157 26.564 315 2HB ARG 32 2HB ARG 32 29.547 28.850 26.698 316 1HG ARG 32 1HG ARG 32 31.223 29.999 28.161 317 2HG ARG 32 2HG ARG 32 29.874 29.315 29.062 318 1HD ARG 32 1HD ARG 32 32.152 27.474 28.698 319 2HD ARG 32 2HD ARG 32 32.545 28.889 29.667 320 HE ARG 32 HE ARG 32 31.271 26.741 30.775 321 1HH1 ARG 32 1HH1 ARG 32 31.193 29.966 31.293 322 2HH1 ARG 32 2HH1 ARG 32 29.594 30.045 31.955 323 1HH2 ARG 32 1HH2 ARG 32 28.770 26.804 31.029 324 2HH2 ARG 32 2HH2 ARG 32 28.221 28.250 31.807 325 H LYS 33 H LYS 33 30.145 24.782 26.340 326 HA LYS 33 HA LYS 33 29.079 23.609 24.625 327 1HB LYS 33 1HB LYS 33 27.171 23.360 25.997 328 2HB LYS 33 2HB LYS 33 26.768 25.075 25.898 329 1HG LYS 33 1HG LYS 33 25.611 24.793 23.978 330 2HG LYS 33 2HG LYS 33 26.885 23.799 23.269 331 1HD LYS 33 1HD LYS 33 25.378 22.110 23.494 332 2HD LYS 33 2HD LYS 33 25.897 22.109 25.180 333 1HE LYS 33 1HE LYS 33 23.552 23.664 24.049 334 2HE LYS 33 2HE LYS 33 23.444 22.207 25.037 335 1HZ LYS 33 1HZ LYS 33 25.034 23.810 26.514 336 2HZ LYS 33 2HZ LYS 33 23.960 24.928 25.826 337 3HZ LYS 33 3HZ LYS 33 23.359 23.627 26.739 338 H LYS 34 H LYS 34 29.713 24.177 22.660 339 HA LYS 34 HA LYS 34 28.397 26.505 21.369 340 1HB LYS 34 1HB LYS 34 31.289 25.775 20.888 341 2HB LYS 34 2HB LYS 34 30.443 27.253 20.417 342 1HG LYS 34 1HG LYS 34 30.234 27.951 22.713 343 2HG LYS 34 2HG LYS 34 30.857 26.404 23.289 344 1HD LYS 34 1HD LYS 34 33.010 26.868 22.178 345 2HD LYS 34 2HD LYS 34 32.392 28.433 21.648 346 1HE LYS 34 1HE LYS 34 33.035 27.491 24.426 347 2HE LYS 34 2HE LYS 34 33.523 28.983 23.619 348 1HZ LYS 34 3HZ LYS 34 31.156 29.658 23.654 349 2HZ LYS 34 1HZ LYS 34 30.808 28.286 24.593 350 3HZ LYS 34 2HZ LYS 34 31.837 29.494 25.199 351 H ALA 35 H ALA 35 30.457 23.652 20.905 352 HA ALA 35 HA ALA 35 29.629 23.047 18.257 353 1HB ALA 35 3HB ALA 35 30.618 21.247 20.466 354 2HB ALA 35 1HB ALA 35 30.515 20.821 18.760 355 3HB ALA 35 2HB ALA 35 31.644 22.071 19.293 356 H VAL 36 H VAL 36 27.977 21.785 17.666 357 HA VAL 36 HA VAL 36 26.220 20.542 19.679 358 HB VAL 36 HB VAL 36 24.395 22.165 18.684 359 1HG1 VAL 36 3HG1 VAL 36 25.047 21.777 21.109 360 2HG1 VAL 36 1HG1 VAL 36 26.175 23.121 20.921 361 3HG1 VAL 36 2HG1 VAL 36 24.447 23.387 20.728 362 1HG2 VAL 36 1HG2 VAL 36 26.984 23.646 18.483 363 2HG2 VAL 36 2HG2 VAL 36 25.724 23.491 17.272 364 3HG2 VAL 36 3HG2 VAL 36 25.456 24.466 18.724 365 H ILE 37 H ILE 37 24.528 19.363 18.890 366 HA ILE 37 HA ILE 37 24.244 19.205 15.957 367 HB ILE 37 HB ILE 37 23.864 17.177 18.151 368 1HG1 ILE 37 1HG1 ILE 37 24.848 16.167 15.628 369 2HG1 ILE 37 2HG1 ILE 37 25.810 17.554 16.129 370 1HG2 ILE 37 3HG2 ILE 37 22.557 17.303 15.436 371 2HG2 ILE 37 1HG2 ILE 37 22.676 15.818 16.396 372 3HG2 ILE 37 2HG2 ILE 37 21.781 17.208 17.031 373 1HD1 ILE 37 3HD1 ILE 37 25.241 15.107 17.870 374 2HD1 ILE 37 1HD1 ILE 37 26.754 15.426 17.027 375 3HD1 ILE 37 2HD1 ILE 37 26.231 16.491 18.325 376 H PHE 38 H PHE 38 21.707 18.790 15.591 377 HA PHE 38 HA PHE 38 20.175 20.017 17.781 378 1HB PHE 38 1HB PHE 38 20.921 21.270 15.167 379 2HB PHE 38 2HB PHE 38 19.241 21.483 15.660 380 HD1 PHE 38 HD2 PHE 38 22.837 22.076 16.894 381 HD2 PHE 38 HD1 PHE 38 18.669 22.982 17.285 382 HE1 PHE 38 HE2 PHE 38 23.360 23.821 18.544 383 HE2 PHE 38 HE1 PHE 38 19.190 24.761 18.916 384 HZ PHE 38 HZ PHE 38 21.551 25.170 19.561 385 H CYS 39 H CYS 39 18.096 18.906 17.882 386 HA CYS 39 HA CYS 39 17.468 17.318 15.406 387 1HB CYS 39 1HB CYS 39 16.562 16.042 17.845 388 2HB CYS 39 2HB CYS 39 17.552 15.396 16.535 389 HG CYS 39 HG CYS 39 19.247 15.482 18.422 390 H LEU 40 H LEU 40 16.043 19.765 15.948 391 HA LEU 40 HA LEU 40 13.803 20.450 15.877 392 1HB LEU 40 1HB LEU 40 13.374 17.482 15.532 393 2HB LEU 40 2HB LEU 40 12.223 18.742 15.108 394 HG LEU 40 HG LEU 40 14.891 18.151 13.870 395 1HD1 LEU 40 1HD1 LEU 40 12.094 18.679 12.826 396 2HD1 LEU 40 2HD1 LEU 40 13.514 18.537 11.789 397 3HD1 LEU 40 3HD1 LEU 40 12.993 17.160 12.758 398 1HD2 LEU 40 1HD2 LEU 40 13.381 20.778 13.900 399 2HD2 LEU 40 2HD2 LEU 40 15.024 20.499 14.469 400 3HD2 LEU 40 3HD2 LEU 40 14.656 20.406 12.739 401 H SER 41 H SER 41 12.449 21.133 17.306 402 HA SER 41 HA SER 41 12.506 20.651 20.017 403 1HB SER 41 1HB SER 41 10.748 22.109 20.157 404 2HB SER 41 2HB SER 41 11.211 22.398 18.482 405 HG SER 41 HG SER 41 9.088 21.959 18.365 406 H ALA 42 H ALA 42 10.069 20.064 21.068 407 HA ALA 42 HA ALA 42 9.965 17.169 20.926 408 1HB ALA 42 2HB ALA 42 9.333 18.791 22.905 409 2HB ALA 42 3HB ALA 42 7.755 18.824 22.118 410 3HB ALA 42 1HB ALA 42 8.426 17.295 22.684 411 H ASP 43 H ASP 43 8.543 15.903 19.760 412 HA ASP 43 HA ASP 43 6.712 15.379 18.349 413 1HB ASP 43 1HB ASP 43 5.604 17.421 19.575 414 2HB ASP 43 2HB ASP 43 6.016 18.296 18.099 415 H LYS 44 H LYS 44 9.252 17.535 17.824 416 HA LYS 44 HA LYS 44 10.602 17.788 15.968 417 1HB LYS 44 1HB LYS 44 8.892 15.658 15.164 418 2HB LYS 44 2HB LYS 44 9.026 16.792 13.816 419 1HG LYS 44 1HG LYS 44 10.844 15.093 13.783 420 2HG LYS 44 2HG LYS 44 11.471 16.729 13.978 421 1HD LYS 44 1HD LYS 44 12.654 15.579 15.644 422 2HD LYS 44 2HD LYS 44 11.273 16.196 16.553 423 1HE LYS 44 1HE LYS 44 10.096 13.998 16.013 424 2HE LYS 44 2HE LYS 44 11.659 13.406 15.452 425 1HZ LYS 44 1HZ LYS 44 12.561 14.037 17.662 426 2HZ LYS 44 2HZ LYS 44 10.976 14.379 18.172 427 3HZ LYS 44 3HZ LYS 44 11.406 12.797 17.723 428 H LYS 45 H LYS 45 10.861 19.640 15.187 429 HA LYS 45 HA LYS 45 9.847 21.183 13.358 430 1HB LYS 45 1HB LYS 45 7.936 20.986 15.611 431 2HB LYS 45 2HB LYS 45 8.217 22.599 14.901 432 1HG LYS 45 1HG LYS 45 7.551 21.902 12.748 433 2HG LYS 45 2HG LYS 45 7.695 20.195 13.168 434 1HD LYS 45 1HD LYS 45 5.376 20.501 13.261 435 2HD LYS 45 2HD LYS 45 5.835 20.776 14.943 436 1HE LYS 45 1HE LYS 45 5.968 23.156 13.189 437 2HE LYS 45 2HE LYS 45 4.347 22.531 13.493 438 1HZ LYS 45 2HZ LYS 45 5.028 22.493 15.913 439 2HZ LYS 45 3HZ LYS 45 6.359 23.442 15.463 440 3HZ LYS 45 1HZ LYS 45 4.780 24.026 15.225 441 H CYS 46 H CYS 46 10.988 22.973 13.461 442 HA CYS 46 HA CYS 46 12.162 24.848 14.308 443 1HB CYS 46 1HB CYS 46 11.404 23.571 16.956 444 2HB CYS 46 2HB CYS 46 12.772 24.663 16.887 445 HG CYS 46 HG CYS 46 10.212 25.771 17.262 446 H ILE 47 H ILE 47 14.298 24.572 13.644 447 HA ILE 47 HA ILE 47 15.837 22.231 14.079 448 HB ILE 47 HB ILE 47 16.301 24.779 12.984 449 1HG1 ILE 47 1HG1 ILE 47 18.726 23.711 12.812 450 2HG1 ILE 47 2HG1 ILE 47 17.874 22.283 13.411 451 1HG2 ILE 47 1HG2 ILE 47 16.866 25.479 15.284 452 2HG2 ILE 47 2HG2 ILE 47 18.148 24.265 15.317 453 3HG2 ILE 47 3HG2 ILE 47 18.243 25.607 14.172 454 1HD1 ILE 47 2HD1 ILE 47 16.083 23.035 11.597 455 2HD1 ILE 47 3HD1 ILE 47 17.521 23.772 10.858 456 3HD1 ILE 47 1HD1 ILE 47 17.501 22.015 11.168 457 H ILE 48 H ILE 48 16.807 21.577 16.092 458 HA ILE 48 HA ILE 48 16.984 23.596 18.214 459 HB ILE 48 HB ILE 48 14.545 22.641 17.878 460 1HG1 ILE 48 1HG1 ILE 48 16.001 23.769 20.023 461 2HG1 ILE 48 2HG1 ILE 48 14.242 23.681 19.878 462 1HG2 ILE 48 2HG2 ILE 48 15.276 20.312 17.949 463 2HG2 ILE 48 3HG2 ILE 48 15.894 20.532 19.579 464 3HG2 ILE 48 1HG2 ILE 48 14.168 20.669 19.263 465 1HD1 ILE 48 2HD1 ILE 48 15.923 21.387 20.927 466 2HD1 ILE 48 3HD1 ILE 48 15.196 22.611 21.980 467 3HD1 ILE 48 1HD1 ILE 48 14.167 21.567 20.998 468 H VAL 49 H VAL 49 17.328 22.336 20.337 469 HA VAL 49 HA VAL 49 19.362 20.252 19.754 470 HB VAL 49 HB VAL 49 18.889 21.662 22.400 471 1HG1 VAL 49 3HG1 VAL 49 20.932 19.852 21.241 472 2HG1 VAL 49 1HG1 VAL 49 21.539 21.164 22.250 473 3HG1 VAL 49 2HG1 VAL 49 20.382 20.006 22.909 474 1HG2 VAL 49 1HG2 VAL 49 20.616 22.536 20.065 475 2HG2 VAL 49 2HG2 VAL 49 19.282 23.441 20.785 476 3HG2 VAL 49 3HG2 VAL 49 20.775 23.189 21.693 477 H GLU 50 H GLU 50 18.185 18.254 19.779 478 HA GLU 50 HA GLU 50 16.427 17.897 22.171 479 1HB GLU 50 1HB GLU 50 15.404 18.515 19.731 480 2HB GLU 50 2HB GLU 50 15.366 16.753 19.690 481 1HG GLU 50 1HG GLU 50 14.469 17.627 22.273 482 2HG GLU 50 2HG GLU 50 13.562 18.493 21.030 483 H GLU 51 H GLU 51 18.578 16.583 22.558 484 HA GLU 51 HA GLU 51 17.817 13.901 22.587 485 1HB GLU 51 1HB GLU 51 18.452 13.054 20.596 486 2HB GLU 51 2HB GLU 51 18.416 14.739 20.090 487 1HG GLU 51 1HG GLU 51 20.652 14.894 19.929 488 2HG GLU 51 2HG GLU 51 20.947 13.900 21.347 489 H GLY 52 H GLY 52 20.335 16.201 22.594 490 1HA GLY 52 1HA GLY 52 21.824 16.370 24.552 491 2HA GLY 52 2HA GLY 52 21.750 14.613 24.688 492 H LYS 53 H LYS 53 22.993 17.239 22.651 493 HA LYS 53 HA LYS 53 25.103 15.384 21.694 494 1HB LYS 53 1HB LYS 53 24.044 17.718 20.095 495 2HB LYS 53 2HB LYS 53 24.891 16.284 19.530 496 1HG LYS 53 1HG LYS 53 22.417 15.541 20.844 497 2HG LYS 53 2HG LYS 53 22.120 16.697 19.545 498 1HD LYS 53 1HD LYS 53 22.102 14.358 18.706 499 2HD LYS 53 2HD LYS 53 23.411 15.284 17.977 500 1HE LYS 53 1HE LYS 53 24.594 13.440 18.654 501 2HE LYS 53 2HE LYS 53 24.732 14.410 20.118 502 1HZ LYS 53 2HZ LYS 53 22.562 13.248 20.768 503 2HZ LYS 53 3HZ LYS 53 22.973 12.104 19.589 504 3HZ LYS 53 1HZ LYS 53 24.007 12.382 20.909 505 H GLU 54 H GLU 54 26.062 17.837 20.215 506 HA GLU 54 HA GLU 54 27.295 19.781 20.526 507 1HB GLU 54 1HB GLU 54 26.396 21.125 22.039 508 2HB GLU 54 2HB GLU 54 25.584 19.760 22.786 509 1HG GLU 54 1HG GLU 54 28.494 20.182 23.481 510 2HG GLU 54 2HG GLU 54 27.311 21.310 24.132 511 H ILE 55 H ILE 55 29.331 19.997 20.542 512 HA ILE 55 HA ILE 55 31.051 18.268 22.227 513 HB ILE 55 HB ILE 55 31.223 19.356 19.608 514 1HG1 ILE 55 1HG1 ILE 55 33.303 17.918 21.242 515 2HG1 ILE 55 2HG1 ILE 55 31.950 17.125 20.407 516 1HG2 ILE 55 2HG2 ILE 55 32.370 21.256 20.958 517 2HG2 ILE 55 3HG2 ILE 55 33.646 20.062 21.224 518 3HG2 ILE 55 1HG2 ILE 55 33.201 20.543 19.590 519 1HD1 ILE 55 2HD1 ILE 55 32.860 18.862 18.538 520 2HD1 ILE 55 3HD1 ILE 55 34.360 18.326 19.296 521 3HD1 ILE 55 1HD1 ILE 55 33.257 17.154 18.584 522 H LEU 56 H LEU 56 33.012 20.023 23.003 523 HA LEU 56 HA LEU 56 31.447 22.285 24.157 524 1HB LEU 56 1HB LEU 56 33.797 20.877 25.433 525 2HB LEU 56 2HB LEU 56 32.862 22.188 26.132 526 HG LEU 56 HG LEU 56 32.059 20.106 27.058 527 1HD1 LEU 56 2HD1 LEU 56 30.200 21.281 24.962 528 2HD1 LEU 56 3HD1 LEU 56 29.682 20.254 26.302 529 3HD1 LEU 56 1HD1 LEU 56 30.393 21.837 26.629 530 1HD2 LEU 56 3HD2 LEU 56 32.736 19.064 24.580 531 2HD2 LEU 56 1HD2 LEU 56 31.846 18.203 25.840 532 3HD2 LEU 56 2HD2 LEU 56 30.970 19.036 24.555 533 H VAL 57 H VAL 57 33.744 21.807 21.867 534 HA VAL 57 HA VAL 57 35.118 23.362 20.822 535 HB VAL 57 HB VAL 57 33.422 24.911 22.555 536 1HG1 VAL 57 1HG1 VAL 57 36.336 25.718 22.476 537 2HG1 VAL 57 2HG1 VAL 57 35.056 26.920 22.627 538 3HG1 VAL 57 3HG1 VAL 57 35.250 25.683 23.873 539 1HG2 VAL 57 2HG2 VAL 57 34.919 25.229 19.988 540 2HG2 VAL 57 3HG2 VAL 57 33.172 25.125 20.247 541 3HG2 VAL 57 1HG2 VAL 57 34.052 26.604 20.670 542 H GLY 58 H GLY 58 35.477 23.878 24.351 543 1HA GLY 58 1HA GLY 58 38.385 23.732 23.999 544 2HA GLY 58 2HA GLY 58 37.547 24.062 25.512 545 H ASP 59 H ASP 59 35.659 21.714 24.938 546 HA ASP 59 HA ASP 59 36.926 19.684 26.437 547 1HB ASP 59 1HB ASP 59 34.721 19.664 24.399 548 2HB ASP 59 2HB ASP 59 35.547 18.126 24.685 549 H VAL 60 H VAL 60 36.764 20.326 22.989 550 HA VAL 60 HA VAL 60 38.303 18.406 21.797 551 HB VAL 60 HB VAL 60 38.471 21.429 21.517 552 1HG1 VAL 60 1HG1 VAL 60 40.377 19.862 20.520 553 2HG1 VAL 60 2HG1 VAL 60 39.161 19.584 19.273 554 3HG1 VAL 60 3HG1 VAL 60 39.730 21.221 19.602 555 1HG2 VAL 60 1HG2 VAL 60 36.767 19.267 20.307 556 2HG2 VAL 60 2HG2 VAL 60 36.276 20.809 21.014 557 3HG2 VAL 60 3HG2 VAL 60 37.057 20.769 19.431 558 H GLY 61 H GLY 61 39.772 17.486 23.286 559 1HA GLY 61 1HA GLY 61 42.391 17.786 23.277 560 2HA GLY 61 2HA GLY 61 41.996 19.180 24.272 561 H VAL 62 H VAL 62 39.652 17.105 25.032 562 HA VAL 62 HA VAL 62 41.229 15.797 27.212 563 HB VAL 62 HB VAL 62 38.370 16.820 27.137 564 1HG1 VAL 62 1HG1 VAL 62 39.772 14.940 29.024 565 2HG1 VAL 62 2HG1 VAL 62 38.447 15.959 29.588 566 3HG1 VAL 62 3HG1 VAL 62 38.173 14.788 28.297 567 1HG2 VAL 62 2HG2 VAL 62 40.866 17.531 28.681 568 2HG2 VAL 62 3HG2 VAL 62 39.868 18.582 27.678 569 3HG2 VAL 62 1HG2 VAL 62 39.263 18.012 29.234 570 H THR 63 H THR 63 37.873 15.113 26.505 571 HA THR 63 HA THR 63 38.478 12.354 25.884 572 HB THR 63 HB THR 63 35.957 14.006 25.522 573 HG1 THR 63 HG1 THR 63 36.799 13.623 27.687 574 1HG2 THR 63 1HG2 THR 63 36.435 11.731 24.210 575 2HG2 THR 63 2HG2 THR 63 35.923 11.040 25.747 576 3HG2 THR 63 3HG2 THR 63 34.842 12.114 24.859 577 H ILE 64 H ILE 64 38.536 15.379 24.284 578 HA ILE 64 HA ILE 64 38.693 13.995 21.633 579 HB ILE 64 HB ILE 64 38.101 16.580 20.992 580 1HG1 ILE 64 1HG1 ILE 64 36.773 15.943 23.640 581 2HG1 ILE 64 2HG1 ILE 64 37.691 17.387 23.209 582 1HG2 ILE 64 1HG2 ILE 64 37.007 14.232 20.458 583 2HG2 ILE 64 2HG2 ILE 64 35.832 14.734 21.683 584 3HG2 ILE 64 3HG2 ILE 64 36.078 15.713 20.233 585 1HD1 ILE 64 3HD1 ILE 64 35.742 17.380 21.281 586 2HD1 ILE 64 1HD1 ILE 64 34.866 16.711 22.661 587 3HD1 ILE 64 2HD1 ILE 64 35.645 18.292 22.786 588 H THR 65 H THR 65 39.977 15.845 20.122 589 HA THR 65 HA THR 65 42.049 17.226 21.628 590 HB THR 65 HB THR 65 43.621 15.516 20.044 591 HG1 THR 65 HG1 THR 65 42.981 13.516 20.672 592 1HG2 THR 65 2HG2 THR 65 44.014 16.664 22.316 593 2HG2 THR 65 3HG2 THR 65 43.197 15.269 23.020 594 3HG2 THR 65 1HG2 THR 65 44.690 15.049 22.105 595 H ASP 66 H ASP 66 40.287 18.139 19.657 596 HA ASP 66 HA ASP 66 40.759 19.899 18.128 597 1HB ASP 66 1HB ASP 66 43.222 19.329 18.646 598 2HB ASP 66 2HB ASP 66 43.169 18.488 17.093 599 HA PRO 67 HA PRO 67 40.153 16.983 14.428 600 1HB PRO 67 1HB PRO 67 39.025 14.551 15.061 601 2HB PRO 67 2HB PRO 67 40.768 14.793 14.920 602 1HG PRO 67 1HG PRO 67 39.121 14.496 17.390 603 2HG PRO 67 2HG PRO 67 40.816 14.064 17.107 604 1HD PRO 67 1HD PRO 67 39.913 16.386 18.448 605 2HD PRO 67 2HD PRO 67 41.554 16.095 17.831 606 H PHE 68 H PHE 68 37.517 15.150 15.321 607 HA PHE 68 HA PHE 68 35.680 17.071 16.333 608 1HB PHE 68 1HB PHE 68 34.915 18.177 14.485 609 2HB PHE 68 2HB PHE 68 36.457 17.688 13.750 610 HD1 PHE 68 HD1 PHE 68 36.660 15.453 12.724 611 HD2 PHE 68 HD2 PHE 68 32.901 17.194 13.778 612 HE1 PHE 68 HE1 PHE 68 35.523 13.745 11.402 613 HE2 PHE 68 HE2 PHE 68 31.730 15.480 12.459 614 HZ PHE 68 HZ PHE 68 33.034 13.741 11.249 615 H LYS 69 H LYS 69 36.350 14.167 14.444 616 HA LYS 69 HA LYS 69 33.774 13.052 14.093 617 1HB LYS 69 1HB LYS 69 35.096 10.817 14.540 618 2HB LYS 69 2HB LYS 69 35.446 11.778 13.105 619 1HG LYS 69 1HG LYS 69 37.535 12.266 13.815 620 2HG LYS 69 2HG LYS 69 36.978 12.641 15.446 621 1HD LYS 69 1HD LYS 69 38.538 10.591 15.139 622 2HD LYS 69 2HD LYS 69 37.093 10.388 16.132 623 1HE LYS 69 1HE LYS 69 36.150 8.942 14.666 624 2HE LYS 69 2HE LYS 69 36.613 9.921 13.274 625 1HZ LYS 69 1HZ LYS 69 38.982 8.969 14.170 626 2HZ LYS 69 2HZ LYS 69 37.944 7.657 14.449 627 3HZ LYS 69 3HZ LYS 69 38.086 8.308 12.886 628 H HIS 70 H HIS 70 35.669 13.388 17.059 629 HA HIS 70 HA HIS 70 34.321 11.499 18.663 630 1HB HIS 70 1HB HIS 70 35.642 12.574 20.138 631 2HB HIS 70 2HB HIS 70 35.707 14.019 19.117 632 HD1 HIS 70 HD1 HIS 70 33.604 12.374 21.772 633 HD2 HIS 70 HD2 HIS 70 33.754 15.989 19.737 634 HE1 HIS 70 HE1 HIS 70 31.962 13.928 22.880 635 H PHE 71 H PHE 71 33.474 14.808 17.783 636 HA PHE 71 HA PHE 71 30.973 14.988 19.033 637 1HB PHE 71 1HB PHE 71 31.493 17.082 18.177 638 2HB PHE 71 2HB PHE 71 32.413 16.393 16.848 639 HD1 PHE 71 HD1 PHE 71 31.003 15.277 14.904 640 HD2 PHE 71 HD2 PHE 71 29.419 18.030 17.791 641 HE1 PHE 71 HE1 PHE 71 29.104 15.788 13.385 642 HE2 PHE 71 HE2 PHE 71 27.526 18.532 16.289 643 HZ PHE 71 HZ PHE 71 27.364 17.415 14.079 644 H VAL 72 H VAL 72 31.881 13.574 15.876 645 HA VAL 72 HA VAL 72 29.237 13.202 14.927 646 HB VAL 72 HB VAL 72 30.144 11.663 13.395 647 1HG1 VAL 72 1HG1 VAL 72 32.046 13.810 14.104 648 2HG1 VAL 72 2HG1 VAL 72 32.413 12.699 12.788 649 3HG1 VAL 72 3HG1 VAL 72 30.959 13.692 12.723 650 1HG2 VAL 72 2HG2 VAL 72 31.643 10.644 15.503 651 2HG2 VAL 72 3HG2 VAL 72 31.594 10.038 13.855 652 3HG2 VAL 72 1HG2 VAL 72 32.812 11.221 14.326 653 H GLY 73 H GLY 73 31.239 11.465 17.131 654 1HA GLY 73 1HA GLY 73 29.647 9.123 17.472 655 2HA GLY 73 2HA GLY 73 30.734 9.785 18.699 656 H MET 74 H MET 74 29.480 12.389 18.823 657 HA MET 74 HA MET 74 27.510 11.979 20.806 658 1HB MET 74 1HB MET 74 27.867 14.334 18.954 659 2HB MET 74 2HB MET 74 26.896 14.342 20.428 660 1HG MET 74 1HG MET 74 29.001 13.605 21.663 661 2HG MET 74 2HG MET 74 29.890 13.979 20.186 662 1HE MET 74 3HE MET 74 29.163 15.894 18.823 663 2HE MET 74 1HE MET 74 29.066 17.555 19.446 664 3HE MET 74 2HE MET 74 30.586 16.660 19.543 665 H LEU 75 H LEU 75 27.223 12.644 17.414 666 HA LEU 75 HA LEU 75 24.337 12.073 17.494 667 1HB LEU 75 1HB LEU 75 24.439 12.678 15.064 668 2HB LEU 75 2HB LEU 75 24.916 13.968 16.163 669 HG LEU 75 HG LEU 75 27.330 12.843 15.774 670 1HD1 LEU 75 2HD1 LEU 75 25.779 11.352 14.103 671 2HD1 LEU 75 3HD1 LEU 75 26.406 12.593 13.004 672 3HD1 LEU 75 1HD1 LEU 75 27.522 11.580 13.922 673 1HD2 LEU 75 1HD2 LEU 75 25.781 14.996 14.494 674 2HD2 LEU 75 2HD2 LEU 75 27.390 15.048 15.220 675 3HD2 LEU 75 3HD2 LEU 75 27.183 14.460 13.562 676 HA PRO 76 HA PRO 76 25.237 7.900 16.262 677 1HB PRO 76 1HB PRO 76 22.603 7.070 16.375 678 2HB PRO 76 2HB PRO 76 23.617 7.267 17.807 679 1HG PRO 76 1HG PRO 76 21.396 8.985 16.839 680 2HG PRO 76 2HG PRO 76 22.042 8.802 18.478 681 1HD PRO 76 1HD PRO 76 22.587 10.931 16.657 682 2HD PRO 76 2HD PRO 76 23.377 10.645 18.218 683 H GLU 77 H GLU 77 22.845 6.774 14.731 684 HA GLU 77 HA GLU 77 23.180 8.376 12.248 685 1HB GLU 77 1HB GLU 77 22.698 5.434 12.179 686 2HB GLU 77 2HB GLU 77 23.543 6.440 11.000 687 1HG GLU 77 1HG GLU 77 25.468 6.634 12.441 688 2HG GLU 77 2HG GLU 77 24.605 5.876 13.780 689 H LYS 78 H LYS 78 21.088 7.205 14.519 690 HA LYS 78 HA LYS 78 18.823 7.010 12.620 691 1HB LYS 78 1HB LYS 78 17.792 5.555 14.090 692 2HB LYS 78 2HB LYS 78 19.490 5.180 14.368 693 1HG LYS 78 1HG LYS 78 17.962 7.200 16.023 694 2HG LYS 78 2HG LYS 78 18.105 5.506 16.465 695 1HD LYS 78 1HD LYS 78 20.365 7.503 16.144 696 2HD LYS 78 2HD LYS 78 19.849 6.704 17.628 697 1HE LYS 78 1HE LYS 78 20.300 4.554 15.980 698 2HE LYS 78 2HE LYS 78 21.548 5.677 15.448 699 1HZ LYS 78 3HZ LYS 78 21.841 5.961 18.029 700 2HZ LYS 78 1HZ LYS 78 21.184 4.397 18.050 701 3HZ LYS 78 2HZ LYS 78 22.612 4.705 17.184 702 H ASP 79 H ASP 79 20.030 9.642 14.195 703 HA ASP 79 HA ASP 79 17.475 10.924 14.205 704 1HB ASP 79 1HB ASP 79 17.903 9.229 16.492 705 2HB ASP 79 2HB ASP 79 17.685 10.904 16.999 706 H CYS 80 H CYS 80 18.432 12.763 13.572 707 HA CYS 80 HA CYS 80 18.874 14.971 14.812 708 1HB CYS 80 1HB CYS 80 21.196 15.174 15.677 709 2HB CYS 80 2HB CYS 80 20.219 14.054 16.616 710 HG CYS 80 HG CYS 80 21.579 12.371 14.631 711 H ARG 81 H ARG 81 20.042 16.588 13.528 712 HA ARG 81 HA ARG 81 21.576 15.456 11.271 713 1HB ARG 81 1HB ARG 81 19.005 15.567 10.858 714 2HB ARG 81 2HB ARG 81 19.309 17.286 10.606 715 1HG ARG 81 1HG ARG 81 21.316 16.249 9.122 716 2HG ARG 81 2HG ARG 81 20.122 14.962 8.951 717 1HD ARG 81 1HD ARG 81 18.522 16.408 7.992 718 2HD ARG 81 2HD ARG 81 19.354 17.850 8.570 719 HE ARG 81 HE ARG 81 21.226 16.908 6.901 720 1HH1 ARG 81 1HH2 ARG 81 18.885 15.166 5.830 721 2HH1 ARG 81 2HH2 ARG 81 18.424 16.098 4.445 722 1HH2 ARG 81 1HH1 ARG 81 20.158 18.931 5.440 723 2HH2 ARG 81 2HH1 ARG 81 19.142 18.228 4.225 724 H TYR 82 H TYR 82 20.236 18.685 12.422 725 HA TYR 82 HA TYR 82 22.556 19.879 11.044 726 1HB TYR 82 1HB TYR 82 20.120 21.015 12.382 727 2HB TYR 82 2HB TYR 82 21.444 22.037 11.812 728 HD1 TYR 82 HD2 TYR 82 21.637 19.277 9.751 729 HD2 TYR 82 HD1 TYR 82 19.079 22.647 10.436 730 HE1 TYR 82 HE2 TYR 82 20.796 19.095 7.446 731 HE2 TYR 82 HE1 TYR 82 18.217 22.462 8.125 732 HH TYR 82 HH TYR 82 18.357 21.392 6.204 733 H ALA 83 H ALA 83 24.406 20.464 11.986 734 HA ALA 83 HA ALA 83 24.444 20.848 14.896 735 1HB ALA 83 3HB ALA 83 24.991 18.423 14.186 736 2HB ALA 83 1HB ALA 83 26.505 19.102 13.596 737 3HB ALA 83 2HB ALA 83 26.094 19.230 15.300 738 H LEU 84 H LEU 84 25.660 22.545 15.414 739 HA LEU 84 HA LEU 84 27.705 23.429 13.471 740 1HB LEU 84 1HB LEU 84 25.779 24.936 15.042 741 2HB LEU 84 2HB LEU 84 27.426 25.596 15.060 742 HG LEU 84 HG LEU 84 27.487 25.461 12.599 743 1HD1 LEU 84 1HD1 LEU 84 24.755 24.324 12.990 744 2HD1 LEU 84 2HD1 LEU 84 25.429 24.832 11.440 745 3HD1 LEU 84 3HD1 LEU 84 26.201 23.519 12.351 746 1HD2 LEU 84 2HD2 LEU 84 25.225 26.927 13.936 747 2HD2 LEU 84 3HD2 LEU 84 26.703 27.582 13.233 748 3HD2 LEU 84 1HD2 LEU 84 25.409 27.007 12.184 749 H TYR 85 H TYR 85 29.501 22.662 13.962 750 HA TYR 85 HA TYR 85 30.314 22.576 16.833 751 1HB TYR 85 1HB TYR 85 30.593 20.415 16.066 752 2HB TYR 85 2HB TYR 85 31.048 20.945 14.444 753 HD1 TYR 85 HD2 TYR 85 32.198 20.907 18.007 754 HD2 TYR 85 HD1 TYR 85 33.318 21.298 13.848 755 HE1 TYR 85 HE2 TYR 85 34.616 20.793 18.629 756 HE2 TYR 85 HE1 TYR 85 35.711 21.167 14.492 757 HH TYR 85 HH TYR 85 36.995 20.064 16.678 758 H ASP 86 H ASP 86 31.802 23.944 17.512 759 HA ASP 86 HA ASP 86 32.989 25.942 15.844 760 1HB ASP 86 1HB ASP 86 32.732 25.807 18.453 761 2HB ASP 86 2HB ASP 86 34.299 25.007 18.369 762 H ALA 87 H ALA 87 34.532 25.592 14.306 763 HA ALA 87 HA ALA 87 36.259 23.174 14.596 764 1HB ALA 87 3HB ALA 87 35.152 24.658 12.343 765 2HB ALA 87 1HB ALA 87 36.882 24.331 12.158 766 3HB ALA 87 2HB ALA 87 35.746 22.998 12.412 767 H SER 88 H SER 88 38.411 23.296 14.941 768 HA SER 88 HA SER 88 39.680 26.006 14.896 769 1HB SER 88 1HB SER 88 39.971 23.682 16.756 770 2HB SER 88 2HB SER 88 41.379 24.690 16.435 771 HG SER 88 HG SER 88 39.877 25.296 18.235 772 H PHE 89 H PHE 89 40.465 25.942 12.836 773 HA PHE 89 HA PHE 89 42.621 23.957 12.301 774 1HB PHE 89 1HB PHE 89 41.708 23.383 10.154 775 2HB PHE 89 2HB PHE 89 40.395 23.194 11.327 776 HD1 PHE 89 HD1 PHE 89 38.636 24.911 11.548 777 HD2 PHE 89 HD2 PHE 89 41.697 25.206 8.549 778 HE1 PHE 89 HE1 PHE 89 37.310 26.643 10.357 779 HE2 PHE 89 HE2 PHE 89 40.373 26.929 7.358 780 HZ PHE 89 HZ PHE 89 38.181 27.651 8.263 781 H GLU 90 H GLU 90 44.328 24.881 11.140 782 HA GLU 90 HA GLU 90 44.069 27.727 10.417 783 1HB GLU 90 1HB GLU 90 46.407 25.864 9.913 784 2HB GLU 90 2HB GLU 90 46.411 27.629 9.772 785 1HG GLU 90 1HG GLU 90 46.725 27.888 11.965 786 2HG GLU 90 2HG GLU 90 45.403 26.788 12.347 787 H THR 91 H THR 91 44.968 28.237 8.142 788 HA THR 91 HA THR 91 44.188 26.142 6.196 789 HB THR 91 HB THR 91 42.072 27.111 6.307 790 HG1 THR 91 HG1 THR 91 41.947 28.843 4.742 791 1HG2 THR 91 3HG2 THR 91 42.739 28.621 8.134 792 2HG2 THR 91 1HG2 THR 91 43.425 29.754 6.955 793 3HG2 THR 91 2HG2 THR 91 41.685 29.435 6.978 794 H LYS 92 H LYS 92 44.383 27.643 3.774 795 HA LYS 92 HA LYS 92 47.124 28.444 3.697 796 1HB LYS 92 1HB LYS 92 44.742 29.073 1.922 797 2HB LYS 92 2HB LYS 92 46.373 29.643 1.560 798 1HG LYS 92 1HG LYS 92 46.686 26.918 2.129 799 2HG LYS 92 2HG LYS 92 45.217 27.000 1.155 800 1HD LYS 92 1HD LYS 92 46.509 27.225 -0.677 801 2HD LYS 92 2HD LYS 92 47.057 28.780 -0.046 802 1HE LYS 92 1HE LYS 92 48.299 26.251 0.989 803 2HE LYS 92 2HE LYS 92 48.819 26.898 -0.567 804 1HZ LYS 92 2HZ LYS 92 48.773 29.081 1.041 805 2HZ LYS 92 3HZ LYS 92 49.343 27.866 2.083 806 3HZ LYS 92 1HZ LYS 92 50.157 28.193 0.628 807 H GLU 93 H GLU 93 44.203 29.805 4.899 808 HA GLU 93 HA GLU 93 45.087 32.539 4.937 809 1HB GLU 93 1HB GLU 93 42.750 32.241 4.703 810 2HB GLU 93 2HB GLU 93 42.701 31.030 5.981 811 1HG GLU 93 1HG GLU 93 41.897 32.869 7.096 812 2HG GLU 93 2HG GLU 93 43.612 32.992 7.458 813 H SER 94 H SER 94 45.080 29.736 7.013 814 HA SER 94 HA SER 94 46.880 29.524 8.695 815 1HB SER 94 1HB SER 94 45.949 32.304 9.357 816 2HB SER 94 2HB SER 94 47.129 31.380 10.283 817 HG SER 94 HG SER 94 47.687 32.951 8.332 818 H ARG 95 H ARG 95 46.450 29.961 11.250 819 HA ARG 95 HA ARG 95 44.311 28.383 12.104 820 1HB ARG 95 1HB ARG 95 46.307 29.540 13.445 821 2HB ARG 95 2HB ARG 95 45.060 30.744 13.757 822 1HG ARG 95 1HG ARG 95 44.672 29.318 15.535 823 2HG ARG 95 2HG ARG 95 43.606 28.603 14.326 824 1HD ARG 95 1HD ARG 95 44.778 26.685 14.370 825 2HD ARG 95 2HD ARG 95 46.263 27.556 13.991 826 HE ARG 95 HE ARG 95 45.361 26.785 16.689 827 1HH1 ARG 95 1HH2 ARG 95 46.447 29.697 16.300 828 2HH1 ARG 95 2HH2 ARG 95 48.091 29.464 16.794 829 1HH2 ARG 95 1HH1 ARG 95 47.930 26.006 16.641 830 2HH2 ARG 95 2HH1 ARG 95 48.928 27.379 16.987 831 H LYS 96 H LYS 96 42.305 28.783 11.561 832 HA LYS 96 HA LYS 96 41.272 31.564 11.820 833 1HB LYS 96 1HB LYS 96 41.105 29.735 9.444 834 2HB LYS 96 2HB LYS 96 40.002 31.088 9.654 835 1HG LYS 96 1HG LYS 96 42.986 31.471 9.860 836 2HG LYS 96 2HG LYS 96 42.183 31.495 8.294 837 1HD LYS 96 1HD LYS 96 41.772 33.358 10.636 838 2HD LYS 96 2HD LYS 96 42.266 33.765 8.993 839 1HE LYS 96 1HE LYS 96 39.960 32.717 8.316 840 2HE LYS 96 2HE LYS 96 39.540 32.986 10.008 841 1HZ LYS 96 3HZ LYS 96 40.146 35.318 9.739 842 2HZ LYS 96 1HZ LYS 96 40.496 35.051 8.099 843 3HZ LYS 96 2HZ LYS 96 38.907 34.873 8.667 844 H GLU 97 H GLU 97 40.880 29.060 13.396 845 HA GLU 97 HA GLU 97 38.968 27.490 13.662 846 1HB GLU 97 1HB GLU 97 39.776 29.136 15.524 847 2HB GLU 97 2HB GLU 97 38.228 29.927 15.202 848 1HG GLU 97 1HG GLU 97 37.051 27.813 15.510 849 2HG GLU 97 2HG GLU 97 38.594 27.009 15.794 850 H GLU 98 H GLU 98 37.370 27.142 12.262 851 HA GLU 98 HA GLU 98 35.227 29.178 12.149 852 1HB GLU 98 1HB GLU 98 35.842 29.776 10.094 853 2HB GLU 98 2HB GLU 98 36.977 28.440 9.955 854 1HG GLU 98 1HG GLU 98 35.360 26.997 9.058 855 2HG GLU 98 2HG GLU 98 34.021 27.948 9.695 856 H LEU 99 H LEU 99 33.788 28.026 13.231 857 HA LEU 99 HA LEU 99 33.204 25.286 13.312 858 1HB LEU 99 1HB LEU 99 30.869 25.898 13.732 859 2HB LEU 99 2HB LEU 99 31.946 27.000 14.575 860 HG LEU 99 HG LEU 99 31.709 28.223 12.141 861 1HD1 LEU 99 2HD1 LEU 99 29.370 26.492 12.609 862 2HD1 LEU 99 3HD1 LEU 99 28.977 28.164 12.208 863 3HD1 LEU 99 1HD1 LEU 99 29.963 27.196 11.098 864 1HD2 LEU 99 3HD2 LEU 99 31.251 28.851 14.745 865 2HD2 LEU 99 1HD2 LEU 99 30.882 29.937 13.414 866 3HD2 LEU 99 2HD2 LEU 99 29.605 28.943 14.119 867 H MET 100 H MET 100 31.213 24.283 12.296 868 HA MET 100 HA MET 100 30.809 25.094 9.492 869 1HB MET 100 1HB MET 100 31.823 22.402 10.299 870 2HB MET 100 2HB MET 100 31.548 22.991 8.650 871 1HG MET 100 1HG MET 100 33.187 24.838 9.108 872 2HG MET 100 2HG MET 100 33.560 24.065 10.644 873 1HE MET 100 2HE MET 100 32.932 21.213 9.799 874 2HE MET 100 3HE MET 100 32.443 21.623 8.148 875 3HE MET 100 1HE MET 100 33.792 20.524 8.421 876 H PHE 101 H PHE 101 28.873 24.700 8.832 877 HA PHE 101 HA PHE 101 26.799 23.779 10.465 878 1HB PHE 101 1HB PHE 101 26.739 25.103 8.233 879 2HB PHE 101 2HB PHE 101 26.765 23.525 7.490 880 HD1 PHE 101 HD1 PHE 101 25.249 23.242 10.620 881 HD2 PHE 101 HD2 PHE 101 24.492 24.573 6.620 882 HE1 PHE 101 HE1 PHE 101 22.807 22.923 10.974 883 HE2 PHE 101 HE2 PHE 101 22.048 24.281 6.976 884 HZ PHE 101 HZ PHE 101 21.215 23.443 9.143 885 H PHE 102 H PHE 102 25.981 21.611 10.823 886 HA PHE 102 HA PHE 102 27.254 19.558 9.055 887 1HB PHE 102 1HB PHE 102 26.978 19.674 11.987 888 2HB PHE 102 2HB PHE 102 26.574 18.120 11.261 889 HD1 PHE 102 HD2 PHE 102 28.242 17.375 9.318 890 HD2 PHE 102 HD1 PHE 102 29.201 20.071 12.526 891 HE1 PHE 102 HE2 PHE 102 30.662 16.936 8.980 892 HE2 PHE 102 HE1 PHE 102 31.615 19.626 12.192 893 HZ PHE 102 HZ PHE 102 32.350 18.055 10.416 894 H LEU 103 H LEU 103 25.675 18.917 7.666 895 HA LEU 103 HA LEU 103 22.856 18.857 8.489 896 1HB LEU 103 1HB LEU 103 24.134 17.930 5.925 897 2HB LEU 103 2HB LEU 103 22.429 18.260 6.168 898 HG LEU 103 HG LEU 103 22.942 20.302 5.323 899 1HD1 LEU 103 3HD1 LEU 103 22.736 20.526 7.932 900 2HD1 LEU 103 1HD1 LEU 103 24.457 20.900 7.856 901 3HD1 LEU 103 2HD1 LEU 103 23.295 21.909 6.998 902 1HD2 LEU 103 3HD2 LEU 103 25.236 19.408 4.733 903 2HD2 LEU 103 1HD2 LEU 103 25.163 21.143 5.023 904 3HD2 LEU 103 2HD2 LEU 103 25.804 20.070 6.264 905 H TRP 104 H TRP 104 24.579 17.246 9.930 906 HA TRP 104 HA TRP 104 25.272 14.763 9.486 907 1HB TRP 104 1HB TRP 104 25.152 15.659 11.743 908 2HB TRP 104 2HB TRP 104 23.384 15.567 11.720 909 HD1 TRP 104 HD1 TRP 104 23.278 13.776 13.650 910 HE1 TRP 104 HE1 TRP 104 23.750 11.222 13.653 911 HE3 TRP 104 HE3 TRP 104 25.911 13.381 9.315 912 HZ2 TRP 104 HZ2 TRP 104 25.215 9.305 11.980 913 HZ3 TRP 104 HZ3 TRP 104 26.794 11.285 8.540 914 HH2 TRP 104 HH2 TRP 104 26.459 9.209 9.855 915 H ALA 105 H ALA 105 24.105 14.036 7.559 916 HA ALA 105 HA ALA 105 21.372 12.970 8.079 917 1HB ALA 105 3HB ALA 105 22.913 13.648 5.574 918 2HB ALA 105 1HB ALA 105 21.578 12.498 5.504 919 3HB ALA 105 2HB ALA 105 21.290 14.154 6.037 920 HA PRO 106 HA PRO 106 23.911 9.298 8.587 921 1HB PRO 106 1HB PRO 106 21.942 7.819 9.771 922 2HB PRO 106 2HB PRO 106 22.994 8.956 10.622 923 1HG PRO 106 1HG PRO 106 20.125 9.255 9.895 924 2HG PRO 106 2HG PRO 106 21.034 10.044 11.186 925 1HD PRO 106 1HD PRO 106 20.325 11.213 8.700 926 2HD PRO 106 2HD PRO 106 21.482 11.870 9.878 927 H GLU 107 H GLU 107 21.801 9.863 6.289 928 HA GLU 107 HA GLU 107 20.948 8.653 4.459 929 1HB GLU 107 1HB GLU 107 23.473 7.405 5.300 930 2HB GLU 107 2HB GLU 107 22.433 6.367 4.323 931 1HG GLU 107 1HG GLU 107 22.428 9.012 3.201 932 2HG GLU 107 2HG GLU 107 24.097 8.487 3.423 933 H LEU 108 H LEU 108 20.436 7.655 7.526 934 HA LEU 108 HA LEU 108 18.666 5.431 6.705 935 1HB LEU 108 1HB LEU 108 19.754 3.902 7.953 936 2HB LEU 108 2HB LEU 108 21.113 5.026 7.891 937 HG LEU 108 HG LEU 108 19.954 6.164 9.923 938 1HD1 LEU 108 1HD1 LEU 108 18.110 4.188 9.305 939 2HD1 LEU 108 2HD1 LEU 108 18.935 3.555 10.739 940 3HD1 LEU 108 3HD1 LEU 108 18.151 5.139 10.793 941 1HD2 LEU 108 1HD2 LEU 108 21.354 3.485 9.985 942 2HD2 LEU 108 2HD2 LEU 108 22.065 5.087 10.188 943 3HD2 LEU 108 3HD2 LEU 108 21.023 4.418 11.445 944 H ALA 109 H ALA 109 19.350 8.142 8.757 945 HA ALA 109 HA ALA 109 17.757 7.950 10.956 946 1HB ALA 109 1HB ALA 109 18.611 10.139 9.244 947 2HB ALA 109 2HB ALA 109 17.010 10.453 9.927 948 3HB ALA 109 3HB ALA 109 18.381 10.116 10.993 949 HA PRO 110 HA PRO 110 13.590 7.484 9.901 950 1HB PRO 110 1HB PRO 110 12.368 9.392 11.493 951 2HB PRO 110 2HB PRO 110 12.991 7.844 12.089 952 1HG PRO 110 1HG PRO 110 14.169 10.572 12.369 953 2HG PRO 110 2HG PRO 110 14.334 9.169 13.430 954 1HD PRO 110 1HD PRO 110 16.280 10.044 11.609 955 2HD PRO 110 2HD PRO 110 16.216 8.424 12.332 956 H LEU 111 H LEU 111 12.583 8.063 8.068 957 HA LEU 111 HA LEU 111 13.169 10.015 6.290 958 1HB LEU 111 1HB LEU 111 10.388 9.043 6.994 959 2HB LEU 111 2HB LEU 111 10.780 9.943 5.528 960 HG LEU 111 HG LEU 111 12.700 7.906 5.637 961 1HD1 LEU 111 1HD1 LEU 111 11.299 6.808 7.376 962 2HD1 LEU 111 2HD1 LEU 111 9.939 6.809 6.253 963 3HD1 LEU 111 3HD1 LEU 111 11.379 5.857 5.894 964 1HD2 LEU 111 1HD2 LEU 111 10.081 8.070 4.108 965 2HD2 LEU 111 2HD2 LEU 111 11.616 8.781 3.612 966 3HD2 LEU 111 3HD2 LEU 111 11.437 7.028 3.681 967 H LYS 112 H LYS 112 11.412 10.653 9.283 968 HA LYS 112 HA LYS 112 10.281 13.147 8.577 969 1HB LYS 112 1HB LYS 112 10.708 13.700 11.081 970 2HB LYS 112 2HB LYS 112 9.657 12.338 10.695 971 1HG LYS 112 1HG LYS 112 11.026 10.944 11.803 972 2HG LYS 112 2HG LYS 112 12.368 11.407 10.756 973 1HD LYS 112 1HD LYS 112 11.671 13.436 12.775 974 2HD LYS 112 2HD LYS 112 12.250 11.916 13.457 975 1HE LYS 112 1HE LYS 112 14.106 12.154 11.579 976 2HE LYS 112 2HE LYS 112 13.673 13.859 11.673 977 1HZ LYS 112 1HZ LYS 112 13.864 13.245 14.258 978 2HZ LYS 112 2HZ LYS 112 15.026 12.184 13.617 979 3HZ LYS 112 3HZ LYS 112 15.155 13.856 13.343 980 H SER 113 H SER 113 13.574 12.564 9.926 981 HA SER 113 HA SER 113 14.249 15.390 9.589 982 1HB SER 113 1HB SER 113 15.565 14.677 11.302 983 2HB SER 113 2HB SER 113 15.514 12.996 10.767 984 HG SER 113 HG SER 113 17.564 13.635 10.382 985 H LYS 114 H LYS 114 14.109 12.727 7.553 986 HA LYS 114 HA LYS 114 16.365 13.553 5.837 987 1HB LYS 114 1HB LYS 114 14.270 11.503 5.130 988 2HB LYS 114 2HB LYS 114 15.969 11.557 4.651 989 1HG LYS 114 1HG LYS 114 15.058 11.176 7.525 990 2HG LYS 114 2HG LYS 114 15.459 9.840 6.437 991 1HD LYS 114 1HD LYS 114 17.483 11.972 6.486 992 2HD LYS 114 2HD LYS 114 17.268 11.161 8.038 993 1HE LYS 114 1HE LYS 114 18.133 9.201 7.276 994 2HE LYS 114 2HE LYS 114 17.333 9.350 5.711 995 1HZ LYS 114 3HZ LYS 114 19.020 11.221 5.319 996 2HZ LYS 114 1HZ LYS 114 19.890 10.518 6.599 997 3HZ LYS 114 2HZ LYS 114 19.556 9.614 5.205 998 H MET 115 H MET 115 12.967 13.947 6.154 999 HA MET 115 HA MET 115 12.685 15.170 3.443 1000 1HB MET 115 1HB MET 115 10.566 14.770 5.558 1001 2HB MET 115 2HB MET 115 10.328 15.039 3.826 1002 1HG MET 115 1HG MET 115 11.969 12.758 3.978 1003 2HG MET 115 2HG MET 115 10.749 12.533 5.230 1004 1HE MET 115 3HE MET 115 8.584 14.232 4.371 1005 2HE MET 115 1HE MET 115 7.516 13.433 3.209 1006 3HE MET 115 2HE MET 115 8.004 12.598 4.679 1007 H ILE 116 H ILE 116 12.796 15.837 6.845 1008 HA ILE 116 HA ILE 116 11.472 18.327 6.730 1009 HB ILE 116 HB ILE 116 13.056 16.657 8.598 1010 1HG1 ILE 116 1HG1 ILE 116 11.052 16.313 9.630 1011 2HG1 ILE 116 2HG1 ILE 116 10.509 17.968 9.382 1012 1HG2 ILE 116 3HG2 ILE 116 12.594 19.566 8.734 1013 2HG2 ILE 116 1HG2 ILE 116 12.523 18.631 10.229 1014 3HG2 ILE 116 2HG2 ILE 116 13.972 18.590 9.230 1015 1HD1 ILE 116 1HD1 ILE 116 10.622 15.839 7.220 1016 2HD1 ILE 116 2HD1 ILE 116 9.164 16.303 8.091 1017 3HD1 ILE 116 3HD1 ILE 116 9.965 17.467 7.044 1018 H TYR 117 H TYR 117 14.742 17.362 7.536 1019 HA TYR 117 HA TYR 117 15.870 19.949 7.677 1020 1HB TYR 117 1HB TYR 117 16.959 17.209 7.191 1021 2HB TYR 117 2HB TYR 117 18.028 18.633 7.174 1022 HD1 TYR 117 HD1 TYR 117 17.147 20.358 9.240 1023 HD2 TYR 117 HD2 TYR 117 17.069 16.074 9.189 1024 HE1 TYR 117 HE1 TYR 117 17.113 20.327 11.720 1025 HE2 TYR 117 HE2 TYR 117 17.042 16.037 11.673 1026 HH TYR 117 HH TYR 117 17.851 17.731 13.541 1027 H ALA 118 H ALA 118 15.137 17.832 5.098 1028 HA ALA 118 HA ALA 118 16.619 18.745 2.933 1029 1HB ALA 118 1HB ALA 118 14.123 17.431 3.472 1030 2HB ALA 118 2HB ALA 118 13.892 18.585 2.154 1031 3HB ALA 118 3HB ALA 118 15.120 17.322 2.010 1032 H SER 119 H SER 119 13.685 20.118 4.406 1033 HA SER 119 HA SER 119 14.068 22.615 2.820 1034 1HB SER 119 1HB SER 119 11.721 21.973 4.595 1035 2HB SER 119 2HB SER 119 11.790 23.096 3.240 1036 HG SER 119 HG SER 119 11.915 20.258 3.167 1037 H SER 120 H SER 120 14.772 21.320 5.852 1038 HA SER 120 HA SER 120 14.288 23.722 7.443 1039 1HB SER 120 1HB SER 120 14.712 21.224 8.254 1040 2HB SER 120 2HB SER 120 16.397 21.751 8.241 1041 HG SER 120 HG SER 120 15.045 23.691 9.343 1042 H LYS 121 H LYS 121 16.737 22.554 5.355 1043 HA LYS 121 HA LYS 121 18.720 24.525 6.219 1044 1HB LYS 121 1HB LYS 121 18.652 22.221 4.463 1045 2HB LYS 121 2HB LYS 121 19.506 23.606 3.764 1046 1HG LYS 121 1HG LYS 121 20.986 23.775 5.571 1047 2HG LYS 121 2HG LYS 121 19.963 22.803 6.635 1048 1HD LYS 121 1HD LYS 121 21.660 21.298 5.995 1049 2HD LYS 121 2HD LYS 121 20.363 20.909 4.864 1050 1HE LYS 121 1HE LYS 121 21.862 23.073 3.765 1051 2HE LYS 121 2HE LYS 121 23.003 21.817 4.250 1052 1HZ LYS 121 3HZ LYS 121 21.194 20.299 3.120 1053 2HZ LYS 121 1HZ LYS 121 20.865 21.724 2.255 1054 3HZ LYS 121 2HZ LYS 121 22.420 21.040 2.210 1055 H ASP 122 H ASP 122 17.323 26.077 6.049 1056 HA ASP 122 HA ASP 122 17.435 27.912 3.911 1057 1HB ASP 122 1HB ASP 122 15.432 25.879 3.566 1058 2HB ASP 122 2HB ASP 122 14.603 27.369 4.017 1059 H ALA 123 H ALA 123 15.623 26.426 6.475 1060 HA ALA 123 HA ALA 123 14.703 28.942 7.690 1061 1HB ALA 123 2HB ALA 123 13.765 26.444 7.829 1062 2HB ALA 123 3HB ALA 123 14.907 26.347 9.176 1063 3HB ALA 123 1HB ALA 123 13.606 27.543 9.204 1064 H ILE 124 H ILE 124 16.886 26.306 8.641 1065 HA ILE 124 HA ILE 124 18.291 27.592 10.711 1066 HB ILE 124 HB ILE 124 18.459 25.197 10.183 1067 1HG1 ILE 124 1HG1 ILE 124 21.216 26.180 9.741 1068 2HG1 ILE 124 2HG1 ILE 124 20.367 26.819 11.148 1069 1HG2 ILE 124 3HG2 ILE 124 18.498 25.767 7.657 1070 2HG2 ILE 124 1HG2 ILE 124 20.238 25.953 7.896 1071 3HG2 ILE 124 2HG2 ILE 124 19.467 24.402 8.225 1072 1HD1 ILE 124 3HD1 ILE 124 20.271 23.893 10.597 1073 2HD1 ILE 124 1HD1 ILE 124 21.724 24.568 11.338 1074 3HD1 ILE 124 2HD1 ILE 124 20.154 24.740 12.152 1075 H LYS 125 H LYS 125 18.607 27.533 7.228 1076 HA LYS 125 HA LYS 125 21.070 28.896 6.875 1077 1HB LYS 125 1HB LYS 125 18.625 28.367 5.306 1078 2HB LYS 125 2HB LYS 125 19.514 29.803 4.808 1079 1HG LYS 125 1HG LYS 125 20.226 27.727 3.610 1080 2HG LYS 125 2HG LYS 125 21.537 28.504 4.497 1081 1HD LYS 125 1HD LYS 125 20.188 26.699 6.254 1082 2HD LYS 125 2HD LYS 125 20.592 25.838 4.768 1083 1HE LYS 125 1HE LYS 125 22.653 27.629 5.980 1084 2HE LYS 125 2HE LYS 125 22.364 26.062 6.725 1085 1HZ LYS 125 2HZ LYS 125 22.716 25.021 4.558 1086 2HZ LYS 125 3HZ LYS 125 23.037 26.543 3.874 1087 3HZ LYS 125 1HZ LYS 125 24.081 25.900 5.049 1088 H LYS 126 H LYS 126 17.762 30.097 7.319 1089 HA LYS 126 HA LYS 126 18.406 32.882 6.950 1090 1HB LYS 126 1HB LYS 126 16.081 31.325 7.962 1091 2HB LYS 126 2HB LYS 126 16.175 33.017 8.451 1092 1HG LYS 126 1HG LYS 126 16.726 33.362 5.869 1093 2HG LYS 126 2HG LYS 126 15.833 31.848 5.721 1094 1HD LYS 126 1HD LYS 126 14.432 33.575 7.534 1095 2HD LYS 126 2HD LYS 126 14.772 34.464 6.049 1096 1HE LYS 126 1HE LYS 126 13.080 33.366 5.051 1097 2HE LYS 126 2HE LYS 126 13.975 31.861 5.261 1098 1HZ LYS 126 2HZ LYS 126 13.034 31.996 7.653 1099 2HZ LYS 126 3HZ LYS 126 11.877 33.030 6.960 1100 3HZ LYS 126 1HZ LYS 126 12.041 31.435 6.397 1101 H LYS 127 H LYS 127 19.277 30.814 9.365 1102 HA LYS 127 HA LYS 127 19.590 33.017 11.345 1103 1HB LYS 127 1HB LYS 127 19.674 30.093 12.029 1104 2HB LYS 127 2HB LYS 127 19.324 31.458 13.079 1105 1HG LYS 127 1HG LYS 127 17.534 30.682 10.770 1106 2HG LYS 127 2HG LYS 127 17.301 30.055 12.403 1107 1HD LYS 127 1HD LYS 127 16.558 32.063 13.214 1108 2HD LYS 127 2HD LYS 127 17.636 32.996 12.175 1109 1HE LYS 127 1HE LYS 127 16.000 33.298 10.655 1110 2HE LYS 127 2HE LYS 127 15.700 31.562 10.572 1111 1HZ LYS 127 3HZ LYS 127 14.745 32.695 13.010 1112 2HZ LYS 127 1HZ LYS 127 14.039 33.443 11.659 1113 3HZ LYS 127 2HZ LYS 127 13.920 31.759 11.856 1114 H PHE 128 H PHE 128 21.040 30.600 9.382 1115 HA PHE 128 HA PHE 128 23.638 30.748 10.794 1116 1HB PHE 128 1HB PHE 128 22.538 29.063 8.559 1117 2HB PHE 128 2HB PHE 128 24.279 29.184 8.852 1118 HD1 PHE 128 HD2 PHE 128 22.532 29.879 11.824 1119 HD2 PHE 128 HD1 PHE 128 23.806 26.579 9.359 1120 HE1 PHE 128 HE2 PHE 128 22.385 28.378 13.746 1121 HE2 PHE 128 HE1 PHE 128 23.620 25.080 11.326 1122 HZ PHE 128 HZ PHE 128 22.916 25.973 13.519 1123 H GLN 129 H GLN 129 22.708 33.074 9.875 1124 HA GLN 129 HA GLN 129 23.139 34.284 7.530 1125 1HB GLN 129 1HB GLN 129 24.853 35.190 9.844 1126 2HB GLN 129 2HB GLN 129 24.085 36.189 8.612 1127 1HG GLN 129 1HG GLN 129 22.566 34.529 10.642 1128 2HG GLN 129 2HG GLN 129 22.921 36.241 10.834 1129 1HE2 GLN 129 2HE2 GLN 129 19.730 35.209 8.668 1130 2HE2 GLN 129 1HE2 GLN 129 20.551 34.140 9.700 1131 H GLY 130 H GLY 130 25.761 32.951 9.482 1132 1HA GLY 130 1HA GLY 130 27.439 32.710 7.030 1133 2HA GLY 130 2HA GLY 130 28.140 33.371 8.516 1134 H ILE 131 H ILE 131 26.619 30.447 7.148 1135 HA ILE 131 HA ILE 131 26.882 28.810 9.407 1136 HB ILE 131 HB ILE 131 26.210 28.490 6.648 1137 1HG1 ILE 131 1HG1 ILE 131 24.658 27.676 8.182 1138 2HG1 ILE 131 2HG1 ILE 131 25.430 26.220 7.559 1139 1HG2 ILE 131 2HG2 ILE 131 28.468 27.489 6.521 1140 2HG2 ILE 131 3HG2 ILE 131 27.963 26.349 7.782 1141 3HG2 ILE 131 1HG2 ILE 131 27.164 26.338 6.210 1142 1HD1 ILE 131 3HD1 ILE 131 27.159 26.625 9.459 1143 2HD1 ILE 131 1HD1 ILE 131 25.836 27.583 10.189 1144 3HD1 ILE 131 2HD1 ILE 131 25.598 25.858 9.840 1145 H LYS 132 H LYS 132 29.147 29.904 7.111 1146 HA LYS 132 HA LYS 132 31.506 29.815 7.223 1147 1HB LYS 132 1HB LYS 132 31.429 27.690 9.340 1148 2HB LYS 132 2HB LYS 132 32.635 28.939 9.058 1149 1HG LYS 132 1HG LYS 132 29.921 29.242 10.321 1150 2HG LYS 132 2HG LYS 132 31.488 29.626 11.011 1151 1HD LYS 132 1HD LYS 132 30.356 31.030 8.589 1152 2HD LYS 132 2HD LYS 132 30.198 31.641 10.236 1153 1HE LYS 132 1HE LYS 132 32.539 31.920 10.477 1154 2HE LYS 132 2HE LYS 132 32.884 30.921 9.066 1155 1HZ LYS 132 2HZ LYS 132 31.201 33.037 8.309 1156 2HZ LYS 132 3HZ LYS 132 32.524 33.678 9.163 1157 3HZ LYS 132 1HZ LYS 132 32.784 32.707 7.794 1158 H HIS 133 H HIS 133 29.733 26.766 7.838 1159 HA HIS 133 HA HIS 133 30.950 25.762 5.308 1160 1HB HIS 133 1HB HIS 133 31.796 24.893 7.981 1161 2HB HIS 133 2HB HIS 133 31.511 23.605 6.818 1162 HD1 HIS 133 HD1 HIS 133 32.443 25.078 4.250 1163 HD2 HIS 133 HD2 HIS 133 34.528 25.077 7.849 1164 HE1 HIS 133 HE1 HIS 133 34.853 25.607 3.672 1165 H GLU 134 H GLU 134 28.910 25.293 4.415 1166 HA GLU 134 HA GLU 134 27.005 23.686 5.911 1167 1HB GLU 134 1HB GLU 134 26.108 25.086 4.204 1168 2HB GLU 134 2HB GLU 134 27.203 24.416 3.006 1169 1HG GLU 134 1HG GLU 134 26.077 22.145 3.691 1170 2HG GLU 134 2HG GLU 134 24.774 23.194 4.240 1171 H CYS 135 H CYS 135 27.817 21.783 6.408 1172 HA CYS 135 HA CYS 135 29.214 20.159 4.313 1173 1HB CYS 135 1HB CYS 135 30.656 20.798 6.236 1174 2HB CYS 135 2HB CYS 135 29.527 20.000 7.326 1175 HG CYS 135 HG CYS 135 31.447 18.563 5.366 1176 H GLN 136 H GLN 136 27.642 18.733 3.535 1177 HA GLN 136 HA GLN 136 25.725 17.600 5.446 1178 1HB GLN 136 1HB GLN 136 25.606 18.085 2.688 1179 2HB GLN 136 2HB GLN 136 25.656 16.326 2.844 1180 1HG GLN 136 1HG GLN 136 23.907 16.713 4.749 1181 2HG GLN 136 2HG GLN 136 23.639 18.259 3.951 1182 1HE2 GLN 136 2HE2 GLN 136 21.189 16.142 2.365 1183 2HE2 GLN 136 1HE2 GLN 136 21.418 17.108 3.741 1184 H ALA 137 H ALA 137 25.840 15.650 6.338 1185 HA ALA 137 HA ALA 137 28.088 13.883 5.480 1186 1HB ALA 137 2HB ALA 137 27.428 14.938 8.063 1187 2HB ALA 137 3HB ALA 137 27.263 13.182 8.079 1188 3HB ALA 137 1HB ALA 137 28.784 13.913 7.589 1189 H ASN 138 H ASN 138 27.155 12.380 4.259 1190 HA ASN 138 HA ASN 138 24.644 11.122 5.225 1191 1HB ASN 138 1HB ASN 138 25.945 10.563 2.589 1192 2HB ASN 138 2HB ASN 138 24.255 10.327 3.068 1193 1HD2 ASN 138 2HD2 ASN 138 24.220 14.211 3.303 1194 2HD2 ASN 138 1HD2 ASN 138 24.391 13.050 4.532 1195 H GLY 139 H GLY 139 26.729 10.802 6.677 1196 1HA GLY 139 1HA GLY 139 27.115 8.169 7.297 1197 2HA GLY 139 2HA GLY 139 28.442 8.561 6.162 1198 HA PRO 140 HA PRO 140 28.856 10.815 10.327 1199 1HB PRO 140 1HB PRO 140 30.264 8.940 11.818 1200 2HB PRO 140 2HB PRO 140 28.512 9.191 11.931 1201 1HG PRO 140 1HG PRO 140 30.019 7.019 10.524 1202 2HG PRO 140 2HG PRO 140 28.432 6.954 11.310 1203 1HD PRO 140 1HD PRO 140 28.797 7.135 8.544 1204 2HD PRO 140 2HD PRO 140 27.318 7.645 9.385 1205 H GLU 141 H GLU 141 30.477 9.263 7.895 1206 HA GLU 141 HA GLU 141 33.248 10.005 8.582 1207 1HB GLU 141 1HB GLU 141 32.258 8.707 6.058 1208 2HB GLU 141 2HB GLU 141 33.795 8.443 6.921 1209 1HG GLU 141 1HG GLU 141 32.047 7.835 8.860 1210 2HG GLU 141 2HG GLU 141 31.090 7.375 7.457 1211 H ASP 142 H ASP 142 30.539 10.998 6.550 1212 HA ASP 142 HA ASP 142 32.175 12.600 4.771 1213 1HB ASP 142 1HB ASP 142 29.284 12.277 5.327 1214 2HB ASP 142 2HB ASP 142 29.764 13.910 4.866 1215 H LEU 143 H LEU 143 31.333 12.634 8.043 1216 HA LEU 143 HA LEU 143 31.645 15.548 8.393 1217 1HB LEU 143 1HB LEU 143 31.353 13.272 10.356 1218 2HB LEU 143 2HB LEU 143 31.457 14.968 10.792 1219 HG LEU 143 HG LEU 143 29.465 14.941 8.886 1220 1HD1 LEU 143 3HD1 LEU 143 29.312 12.523 10.699 1221 2HD1 LEU 143 1HD1 LEU 143 27.938 13.165 9.806 1222 3HD1 LEU 143 2HD1 LEU 143 29.327 12.524 8.934 1223 1HD2 LEU 143 1HD2 LEU 143 29.781 15.998 11.281 1224 2HD2 LEU 143 2HD2 LEU 143 28.159 15.750 10.636 1225 3HD2 LEU 143 3HD2 LEU 143 28.832 14.606 11.797 1226 H ASN 144 H ASN 144 33.380 12.643 8.402 1227 HA ASN 144 HA ASN 144 35.447 12.531 9.957 1228 1HB ASN 144 1HB ASN 144 35.239 11.200 7.899 1229 2HB ASN 144 2HB ASN 144 35.742 12.600 6.953 1230 1HD2 ASN 144 2HD2 ASN 144 38.568 11.338 9.573 1231 2HD2 ASN 144 1HD2 ASN 144 36.956 11.528 10.084 1232 H ARG 145 H ARG 145 37.167 13.655 10.550 1233 HA ARG 145 HA ARG 145 37.332 16.470 10.021 1234 1HB ARG 145 1HB ARG 145 39.736 16.080 11.036 1235 2HB ARG 145 2HB ARG 145 38.313 15.910 12.059 1236 1HG ARG 145 1HG ARG 145 38.515 13.630 12.202 1237 2HG ARG 145 2HG ARG 145 39.144 13.480 10.561 1238 1HD ARG 145 1HD ARG 145 41.331 13.906 11.219 1239 2HD ARG 145 2HD ARG 145 40.838 14.834 12.633 1240 HE ARG 145 HE ARG 145 40.223 12.644 13.697 1241 1HH1 ARG 145 1HH1 ARG 145 42.987 13.059 11.855 1242 2HH1 ARG 145 2HH1 ARG 145 43.388 11.377 11.742 1243 1HH2 ARG 145 1HH2 ARG 145 40.407 10.295 13.137 1244 2HH2 ARG 145 2HH2 ARG 145 41.932 9.818 12.468 1245 H ALA 146 H ALA 146 38.920 13.684 8.609 1246 HA ALA 146 HA ALA 146 40.916 15.104 7.097 1247 1HB ALA 146 1HB ALA 146 40.563 12.522 7.561 1248 2HB ALA 146 2HB ALA 146 39.556 12.615 6.105 1249 3HB ALA 146 3HB ALA 146 41.275 13.046 6.032 1250 H CYS 147 H CYS 147 37.585 14.228 6.717 1251 HA CYS 147 HA CYS 147 37.333 15.079 3.917 1252 1HB CYS 147 1HB CYS 147 35.976 13.388 5.323 1253 2HB CYS 147 2HB CYS 147 35.111 14.835 5.866 1254 HG CYS 147 HG CYS 147 34.062 13.710 3.594 1255 H ILE 148 H ILE 148 36.796 16.388 7.073 1256 HA ILE 148 HA ILE 148 35.439 18.750 6.218 1257 HB ILE 148 HB ILE 148 36.951 17.928 8.701 1258 1HG1 ILE 148 1HG1 ILE 148 35.134 16.708 9.124 1259 2HG1 ILE 148 2HG1 ILE 148 34.230 18.206 9.290 1260 1HG2 ILE 148 2HG2 ILE 148 35.543 20.379 7.865 1261 2HG2 ILE 148 3HG2 ILE 148 35.419 19.893 9.558 1262 3HG2 ILE 148 1HG2 ILE 148 37.001 20.180 8.830 1263 1HD1 ILE 148 1HD1 ILE 148 33.731 18.133 6.850 1264 2HD1 ILE 148 2HD1 ILE 148 34.593 16.585 6.751 1265 3HD1 ILE 148 3HD1 ILE 148 33.114 16.703 7.703 1266 H ALA 149 H ALA 149 38.481 17.366 6.538 1267 HA ALA 149 HA ALA 149 40.159 19.776 6.295 1268 1HB ALA 149 1HB ALA 149 40.555 16.788 6.378 1269 2HB ALA 149 2HB ALA 149 41.880 17.869 5.970 1270 3HB ALA 149 3HB ALA 149 41.100 17.981 7.548 1271 H GLU 150 H GLU 150 38.082 18.461 4.413 1272 HA GLU 150 HA GLU 150 39.550 18.728 1.869 1273 1HB GLU 150 1HB GLU 150 38.975 16.569 1.580 1274 2HB GLU 150 2HB GLU 150 37.858 16.590 2.951 1275 1HG GLU 150 1HG GLU 150 36.101 17.474 1.635 1276 2HG GLU 150 2HG GLU 150 37.194 17.921 0.323 1277 H LYS 151 H LYS 151 36.846 19.402 3.912 1278 HA LYS 151 HA LYS 151 35.257 20.769 1.883 1279 1HB LYS 151 1HB LYS 151 33.724 20.151 3.453 1280 2HB LYS 151 2HB LYS 151 34.989 19.796 4.632 1281 1HG LYS 151 1HG LYS 151 35.019 21.982 5.441 1282 2HG LYS 151 2HG LYS 151 34.230 22.634 4.001 1283 1HD LYS 151 1HD LYS 151 32.943 20.784 6.043 1284 2HD LYS 151 2HD LYS 151 32.619 22.519 5.867 1285 1HE LYS 151 1HE LYS 151 31.878 20.265 4.025 1286 2HE LYS 151 2HE LYS 151 30.878 21.592 4.613 1287 1HZ LYS 151 1HZ LYS 151 32.388 23.090 3.303 1288 2HZ LYS 151 2HZ LYS 151 33.012 21.691 2.568 1289 3HZ LYS 151 3HZ LYS 151 31.370 22.088 2.389 1290 H LEU 152 H LEU 152 37.666 21.240 4.311 1291 HA LEU 152 HA LEU 152 37.833 24.167 3.761 1292 1HB LEU 152 1HB LEU 152 39.315 22.598 5.900 1293 2HB LEU 152 2HB LEU 152 39.203 24.345 5.748 1294 HG LEU 152 HG LEU 152 36.557 23.232 5.874 1295 1HD1 LEU 152 3HD1 LEU 152 38.443 21.719 7.299 1296 2HD1 LEU 152 1HD1 LEU 152 37.706 22.780 8.504 1297 3HD1 LEU 152 2HD1 LEU 152 36.697 21.717 7.531 1298 1HD2 LEU 152 3HD2 LEU 152 37.327 25.554 6.431 1299 2HD2 LEU 152 1HD2 LEU 152 36.391 24.811 7.730 1300 3HD2 LEU 152 2HD2 LEU 152 38.147 24.894 7.846 1301 H GLY 153 H GLY 153 39.372 21.002 3.704 1302 1HA GLY 153 1HA GLY 153 41.999 21.780 2.802 1303 2HA GLY 153 2HA GLY 153 41.247 20.211 2.605 1304 H GLY 154 H GLY 154 38.950 21.281 1.434 1305 1HA GLY 154 1HA GLY 154 39.897 21.499 -1.376 1306 2HA GLY 154 2HA GLY 154 38.233 21.179 -0.880 1307 H SER 155 H SER 155 39.580 23.617 0.959 1308 HA SER 155 HA SER 155 38.502 25.771 -0.797 1309 1HB SER 155 1HB SER 155 37.609 24.948 1.820 1310 2HB SER 155 2HB SER 155 38.268 26.578 1.911 1311 HG SER 155 HG SER 155 36.927 26.816 -0.151 1312 H LEU 156 H LEU 156 41.222 24.595 -0.019 1313 HA LEU 156 HA LEU 156 43.385 25.444 0.132 1314 1HB LEU 156 1HB LEU 156 41.902 28.052 0.083 1315 2HB LEU 156 2HB LEU 156 43.653 27.917 0.066 1316 HG LEU 156 HG LEU 156 42.806 26.165 -1.937 1317 1HD1 LEU 156 3HD1 LEU 156 41.182 28.726 -1.965 1318 2HD1 LEU 156 1HD1 LEU 156 41.356 27.646 -3.348 1319 3HD1 LEU 156 2HD1 LEU 156 40.553 27.080 -1.883 1320 1HD2 LEU 156 3HD2 LEU 156 44.323 28.611 -1.640 1321 2HD2 LEU 156 1HD2 LEU 156 44.530 27.318 -2.823 1322 3HD2 LEU 156 2HD2 LEU 156 43.416 28.644 -3.152 1323 H ILE 157 H ILE 157 43.299 24.394 2.336 1324 HA ILE 157 HA ILE 157 43.366 26.547 4.366 1325 HB ILE 157 HB ILE 157 43.042 24.666 6.021 1326 1HG1 ILE 157 1HG1 ILE 157 42.055 23.258 3.530 1327 2HG1 ILE 157 2HG1 ILE 157 43.575 22.845 4.357 1328 1HG2 ILE 157 1HG2 ILE 157 41.263 26.187 4.417 1329 2HG2 ILE 157 2HG2 ILE 157 40.562 24.591 4.645 1330 3HG2 ILE 157 3HG2 ILE 157 41.004 25.557 6.043 1331 1HD1 ILE 157 3HD1 ILE 157 41.663 23.069 6.351 1332 2HD1 ILE 157 1HD1 ILE 157 40.881 22.156 5.044 1333 3HD1 ILE 157 2HD1 ILE 157 42.399 21.584 5.739 1334 H VAL 158 H VAL 158 44.680 24.184 5.996 1335 HA VAL 158 HA VAL 158 47.295 23.878 4.865 1336 HB VAL 158 HB VAL 158 46.763 26.102 6.813 1337 1HG1 VAL 158 1HG1 VAL 158 48.366 24.484 7.905 1338 2HG1 VAL 158 2HG1 VAL 158 49.444 24.720 6.531 1339 3HG1 VAL 158 3HG1 VAL 158 49.052 26.074 7.589 1340 1HG2 VAL 158 3HG2 VAL 158 48.309 25.668 4.275 1341 2HG2 VAL 158 1HG2 VAL 158 47.150 26.935 4.670 1342 3HG2 VAL 158 2HG2 VAL 158 48.769 26.981 5.361 1343 H ALA 159 H ALA 159 45.073 23.753 7.507 1344 HA ALA 159 HA ALA 159 46.426 21.367 8.633 1345 1HB ALA 159 3HB ALA 159 45.104 23.667 10.077 1346 2HB ALA 159 1HB ALA 159 45.518 22.134 10.843 1347 3HB ALA 159 2HB ALA 159 46.792 23.174 10.204 1348 H PHE 160 H PHE 160 45.033 19.863 9.432 1349 HA PHE 160 HA PHE 160 42.957 18.746 9.730 1350 1HB PHE 160 1HB PHE 160 41.960 21.326 9.177 1351 2HB PHE 160 2HB PHE 160 41.327 20.308 7.876 1352 HD1 PHE 160 HD1 PHE 160 42.205 19.477 11.389 1353 HD2 PHE 160 HD2 PHE 160 39.094 19.841 8.467 1354 HE1 PHE 160 HE1 PHE 160 40.591 18.494 13.000 1355 HE2 PHE 160 HE2 PHE 160 37.469 18.858 10.083 1356 HZ PHE 160 HZ PHE 160 38.215 18.190 12.338 1357 H GLU 161 H GLU 161 43.568 20.483 6.746 1358 HA GLU 161 HA GLU 161 43.538 17.968 5.198 1359 1HB GLU 161 1HB GLU 161 42.433 20.188 4.380 1360 2HB GLU 161 2HB GLU 161 44.079 20.759 4.150 1361 1HG GLU 161 1HG GLU 161 42.519 19.068 2.418 1362 2HG GLU 161 2HG GLU 161 44.108 19.760 2.139 1363 H GLY 162 H GLY 162 45.573 20.265 6.843 1364 1HA GLY 162 1HA GLY 162 47.938 19.084 5.427 1365 2HA GLY 162 2HA GLY 162 47.902 20.730 6.025 1366 H CYS 163 H CYS 163 48.099 21.050 8.388 1367 HA CYS 163 HA CYS 163 50.065 19.510 9.562 1368 1HB CYS 163 1HB CYS 163 49.830 21.608 10.485 1369 2HB CYS 163 2HB CYS 163 48.109 21.411 10.769 1370 HG CYS 163 HG CYS 163 49.060 20.938 13.084 1371 HA PRO 164 HA PRO 164 47.314 16.928 12.380 1372 1HB PRO 164 1HB PRO 164 44.591 17.351 12.246 1373 2HB PRO 164 2HB PRO 164 45.662 18.114 13.436 1374 1HG PRO 164 1HG PRO 164 44.462 19.261 10.953 1375 2HG PRO 164 2HG PRO 164 44.865 20.071 12.473 1376 1HD PRO 164 1HD PRO 164 46.468 20.277 10.196 1377 2HD PRO 164 2HD PRO 164 47.057 20.456 11.851 1378 H VAL 165 H VAL 165 45.756 17.797 9.286 1379 HA VAL 165 HA VAL 165 46.060 14.970 8.466 1380 HB VAL 165 HB VAL 165 43.388 15.455 7.714 1381 1HG1 VAL 165 3HG1 VAL 165 44.542 13.300 8.324 1382 2HG1 VAL 165 1HG1 VAL 165 44.377 13.760 10.018 1383 3HG1 VAL 165 2HG1 VAL 165 42.938 13.490 9.033 1384 1HG2 VAL 165 3HG2 VAL 165 43.723 17.126 9.811 1385 2HG2 VAL 165 1HG2 VAL 165 42.222 16.246 9.537 1386 3HG2 VAL 165 2HG2 VAL 165 43.405 15.634 10.689 No H/Q in entry = 1386 Start of MODEL 14 1 1H THR -8 3H THR -8 16.009 17.425 -7.392 2 2H THR -8 1H THR -8 15.412 17.257 -8.974 3 3H THR -8 2H THR -8 15.846 18.790 -8.391 4 HA THR -8 HA THR -8 13.981 19.031 -7.135 5 HB THR -8 HB THR -8 12.931 17.028 -9.141 6 HG1 THR -8 HG1 THR -8 14.425 19.198 -9.583 7 1HG2 THR -8 2HG2 THR -8 11.569 18.417 -7.314 8 2HG2 THR -8 3HG2 THR -8 11.702 19.683 -8.534 9 3HG2 THR -8 1HG2 THR -8 10.925 18.149 -8.933 10 H MET -7 H MET -7 14.017 18.152 -5.091 11 HA MET -7 HA MET -7 13.931 15.300 -4.583 12 1HB MET -7 1HB MET -7 13.424 17.691 -2.790 13 2HB MET -7 2HB MET -7 13.528 16.027 -2.216 14 1HG MET -7 1HG MET -7 15.808 16.286 -3.762 15 2HG MET -7 2HG MET -7 15.671 17.870 -2.997 16 1HE MET -7 2HE MET -7 15.980 14.110 -2.663 17 2HE MET -7 3HE MET -7 15.932 13.778 -0.926 18 3HE MET -7 1HE MET -7 14.478 14.315 -1.766 19 H ILE -6 H ILE -6 12.120 14.171 -3.552 20 HA ILE -6 HA ILE -6 9.509 15.147 -4.570 21 HB ILE -6 HB ILE -6 10.264 12.483 -3.321 22 1HG1 ILE -6 1HG1 ILE -6 9.529 12.657 -6.180 23 2HG1 ILE -6 2HG1 ILE -6 11.062 13.426 -5.765 24 1HG2 ILE -6 3HG2 ILE -6 7.872 13.049 -3.088 25 2HG2 ILE -6 1HG2 ILE -6 7.779 13.368 -4.821 26 3HG2 ILE -6 2HG2 ILE -6 8.100 11.733 -4.242 27 1HD1 ILE -6 1HD1 ILE -6 11.745 11.326 -4.592 28 2HD1 ILE -6 2HD1 ILE -6 10.257 10.567 -5.159 29 3HD1 ILE -6 3HD1 ILE -6 11.478 11.091 -6.319 30 H THR -5 H THR -5 7.613 15.019 -3.051 31 HA THR -5 HA THR -5 8.161 14.906 -0.193 32 HB THR -5 HB THR -5 7.176 17.573 -1.136 33 HG1 THR -5 HG1 THR -5 9.103 18.166 -1.736 34 1HG2 THR -5 1HG2 THR -5 8.000 16.283 1.320 35 2HG2 THR -5 2HG2 THR -5 8.937 17.749 1.038 36 3HG2 THR -5 3HG2 THR -5 7.176 17.824 1.098 37 HA PRO -4 HA PRO -4 3.834 13.920 -1.011 38 1HB PRO -4 1HB PRO -4 3.622 12.238 1.160 39 2HB PRO -4 2HB PRO -4 4.267 11.733 -0.410 40 1HG PRO -4 1HG PRO -4 5.724 12.280 2.129 41 2HG PRO -4 2HG PRO -4 6.182 11.239 0.771 42 1HD PRO -4 1HD PRO -4 7.194 13.836 1.296 43 2HD PRO -4 2HD PRO -4 7.412 12.906 -0.201 44 H SER -3 H SER -3 2.264 13.444 1.379 45 HA SER -3 HA SER -3 2.576 16.030 2.836 46 1HB SER -3 1HB SER -3 -0.057 15.938 2.834 47 2HB SER -3 2HB SER -3 0.796 16.590 1.440 48 HG SER -3 HG SER -3 -0.210 15.089 0.376 49 H SER -2 H SER -2 3.306 15.087 4.752 50 HA SER -2 HA SER -2 1.266 13.562 6.258 51 1HB SER -2 1HB SER -2 3.483 12.270 5.066 52 2HB SER -2 2HB SER -2 3.847 12.383 6.785 53 HG SER -2 HG SER -2 1.866 10.976 5.452 54 H GLY -1 H GLY -1 2.809 16.241 6.233 55 1HA GLY -1 1HA GLY -1 2.880 17.533 8.359 56 2HA GLY -1 2HA GLY -1 3.625 16.120 9.111 57 H ASN 0 H ASN 0 4.623 18.965 8.720 58 HA ASN 0 HA ASN 0 6.589 20.050 8.007 59 1HB ASN 0 1HB ASN 0 8.055 17.467 8.289 60 2HB ASN 0 2HB ASN 0 8.457 19.066 8.924 61 1HD2 ASN 0 2HD2 ASN 0 7.048 16.697 11.609 62 2HD2 ASN 0 1HD2 ASN 0 8.176 16.397 10.379 63 H SER 1 H SER 1 5.011 18.907 5.852 64 HA SER 1 HA SER 1 6.517 17.396 3.983 65 1HB SER 1 1HB SER 1 5.025 19.119 2.410 66 2HB SER 1 2HB SER 1 4.462 17.581 3.058 67 HG SER 1 HG SER 1 3.295 19.714 3.529 68 H ALA 2 H ALA 2 5.955 20.929 3.717 69 HA ALA 2 HA ALA 2 8.445 21.177 2.155 70 1HB ALA 2 3HB ALA 2 6.005 22.624 2.319 71 2HB ALA 2 1HB ALA 2 7.276 23.717 2.865 72 3HB ALA 2 2HB ALA 2 7.383 22.965 1.274 73 H SER 3 H SER 3 9.034 20.270 4.659 74 HA SER 3 HA SER 3 10.394 20.726 6.501 75 1HB SER 3 1HB SER 3 12.070 21.817 5.367 76 2HB SER 3 2HB SER 3 10.959 22.972 4.631 77 HG SER 3 HG SER 3 12.412 23.168 6.905 78 H GLY 4 H GLY 4 8.113 20.824 7.455 79 1HA GLY 4 1HA GLY 4 6.744 23.208 8.027 80 2HA GLY 4 2HA GLY 4 6.810 21.835 9.145 81 H VAL 5 H VAL 5 9.795 21.988 9.120 82 HA VAL 5 HA VAL 5 10.454 23.075 11.464 83 HB VAL 5 HB VAL 5 12.242 24.030 9.328 84 1HG1 VAL 5 3HG1 VAL 5 12.367 23.676 12.007 85 2HG1 VAL 5 1HG1 VAL 5 13.250 22.275 11.404 86 3HG1 VAL 5 2HG1 VAL 5 13.754 23.905 10.947 87 1HG2 VAL 5 2HG2 VAL 5 11.429 21.168 9.743 88 2HG2 VAL 5 3HG2 VAL 5 11.777 22.005 8.230 89 3HG2 VAL 5 1HG2 VAL 5 13.099 21.532 9.298 90 H GLN 6 H GLN 6 10.948 24.811 12.357 91 HA GLN 6 HA GLN 6 10.406 27.437 11.180 92 1HB GLN 6 1HB GLN 6 9.771 26.966 14.038 93 2HB GLN 6 2HB GLN 6 8.897 27.949 12.850 94 1HG GLN 6 1HG GLN 6 7.513 26.216 12.361 95 2HG GLN 6 2HG GLN 6 8.891 25.130 12.150 96 1HE2 GLN 6 2HE2 GLN 6 9.009 24.067 15.498 97 2HE2 GLN 6 1HE2 GLN 6 9.991 24.558 14.214 98 H VAL 7 H VAL 7 12.664 25.481 12.393 99 HA VAL 7 HA VAL 7 14.642 25.714 13.646 100 HB VAL 7 HB VAL 7 15.729 26.841 12.050 101 1HG1 VAL 7 1HG1 VAL 7 13.480 27.551 11.095 102 2HG1 VAL 7 2HG1 VAL 7 13.660 29.039 12.025 103 3HG1 VAL 7 3HG1 VAL 7 14.827 28.641 10.764 104 1HG2 VAL 7 1HG2 VAL 7 16.179 27.996 14.334 105 2HG2 VAL 7 2HG2 VAL 7 16.666 28.869 12.876 106 3HG2 VAL 7 3HG2 VAL 7 15.177 29.310 13.709 107 H ALA 8 H ALA 8 15.067 25.896 15.536 108 HA ALA 8 HA ALA 8 13.619 27.398 17.484 109 1HB ALA 8 2HB ALA 8 15.565 25.361 17.306 110 2HB ALA 8 3HB ALA 8 16.330 26.656 18.241 111 3HB ALA 8 1HB ALA 8 14.806 25.949 18.793 112 H ASP 9 H ASP 9 14.174 29.518 18.301 113 HA ASP 9 HA ASP 9 15.879 31.124 16.598 114 1HB ASP 9 1HB ASP 9 14.890 31.716 19.389 115 2HB ASP 9 2HB ASP 9 15.607 32.878 18.275 116 H GLU 10 H GLU 10 16.372 29.111 19.339 117 HA GLU 10 HA GLU 10 18.799 30.292 20.317 118 1HB GLU 10 1HB GLU 10 18.146 28.748 21.870 119 2HB GLU 10 2HB GLU 10 17.307 27.764 20.675 120 1HG GLU 10 1HG GLU 10 19.181 26.496 20.196 121 2HG GLU 10 2HG GLU 10 20.297 27.809 20.588 122 H VAL 11 H VAL 11 17.981 28.679 17.419 123 HA VAL 11 HA VAL 11 20.613 27.530 16.971 124 HB VAL 11 HB VAL 11 18.182 27.119 15.791 125 1HG1 VAL 11 1HG1 VAL 11 18.453 29.296 14.579 126 2HG1 VAL 11 2HG1 VAL 11 19.886 28.627 13.800 127 3HG1 VAL 11 3HG1 VAL 11 18.303 27.905 13.505 128 1HG2 VAL 11 3HG2 VAL 11 20.167 25.619 15.854 129 2HG2 VAL 11 1HG2 VAL 11 19.417 25.674 14.258 130 3HG2 VAL 11 2HG2 VAL 11 20.892 26.582 14.561 131 H CYS 12 H CYS 12 19.090 30.590 16.557 132 HA CYS 12 HA CYS 12 20.982 31.599 14.590 133 1HB CYS 12 1HB CYS 12 18.681 32.548 15.001 134 2HB CYS 12 2HB CYS 12 19.272 33.160 16.546 135 HG CYS 12 HG CYS 12 20.371 34.116 13.774 136 H ARG 13 H ARG 13 21.776 30.507 17.514 137 HA ARG 13 HA ARG 13 23.793 32.707 17.778 138 1HB ARG 13 1HB ARG 13 22.519 31.210 20.090 139 2HB ARG 13 2HB ARG 13 24.018 32.157 20.221 140 1HG ARG 13 1HG ARG 13 21.763 33.576 18.916 141 2HG ARG 13 2HG ARG 13 21.479 33.174 20.610 142 1HD ARG 13 1HD ARG 13 22.837 34.848 21.251 143 2HD ARG 13 2HD ARG 13 24.167 34.132 20.342 144 HE ARG 13 HE ARG 13 22.674 35.408 18.399 145 1HH1 ARG 13 1HH1 ARG 13 24.383 36.193 21.281 146 2HH1 ARG 13 2HH1 ARG 13 24.501 37.882 20.911 147 1HH2 ARG 13 1HH2 ARG 13 22.674 37.635 17.972 148 2HH2 ARG 13 2HH2 ARG 13 23.532 38.699 19.037 149 H ILE 14 H ILE 14 23.172 29.521 17.114 150 HA ILE 14 HA ILE 14 25.453 28.372 18.434 151 HB ILE 14 HB ILE 14 24.107 27.364 15.938 152 1HG1 ILE 14 1HG1 ILE 14 23.163 26.671 18.712 153 2HG1 ILE 14 2HG1 ILE 14 22.417 27.952 17.743 154 1HG2 ILE 14 2HG2 ILE 14 26.213 26.346 17.000 155 2HG2 ILE 14 3HG2 ILE 14 25.143 25.774 18.283 156 3HG2 ILE 14 1HG2 ILE 14 24.886 25.226 16.623 157 1HD1 ILE 14 1HD1 ILE 14 22.067 26.365 15.902 158 2HD1 ILE 14 2HD1 ILE 14 22.790 25.080 16.853 159 3HD1 ILE 14 3HD1 ILE 14 21.261 25.800 17.363 160 H PHE 15 H PHE 15 24.608 29.364 15.213 161 HA PHE 15 HA PHE 15 27.107 29.076 13.916 162 1HB PHE 15 1HB PHE 15 25.642 29.806 12.313 163 2HB PHE 15 2HB PHE 15 24.586 30.573 13.519 164 HD1 PHE 15 HD2 PHE 15 27.743 31.005 11.583 165 HD2 PHE 15 HD1 PHE 15 24.687 32.840 13.928 166 HE1 PHE 15 HE2 PHE 15 28.658 33.239 11.011 167 HE2 PHE 15 HE1 PHE 15 25.595 35.070 13.397 168 HZ PHE 15 HZ PHE 15 27.583 35.286 11.919 169 H TYR 16 H TYR 16 25.732 31.610 15.936 170 HA TYR 16 HA TYR 16 28.016 33.422 16.017 171 1HB TYR 16 1HB TYR 16 25.600 32.910 17.751 172 2HB TYR 16 2HB TYR 16 26.791 34.151 18.150 173 HD1 TYR 16 HD2 TYR 16 24.191 33.117 15.840 174 HD2 TYR 16 HD1 TYR 16 26.952 36.228 16.829 175 HE1 TYR 16 HE2 TYR 16 22.939 34.667 14.392 176 HE2 TYR 16 HE1 TYR 16 25.705 37.803 15.365 177 HH TYR 16 HH TYR 16 23.181 37.907 14.523 178 H ASP 17 H ASP 17 27.106 30.530 17.651 179 HA ASP 17 HA ASP 17 28.319 31.076 20.171 180 1HB ASP 17 1HB ASP 17 27.166 28.706 18.811 181 2HB ASP 17 2HB ASP 17 28.279 28.380 20.136 182 H MET 18 H MET 18 29.309 29.495 17.235 183 HA MET 18 HA MET 18 32.073 29.102 18.249 184 1HB MET 18 1HB MET 18 31.935 27.517 16.084 185 2HB MET 18 2HB MET 18 31.511 26.981 17.699 186 1HG MET 18 1HG MET 18 29.409 28.287 15.965 187 2HG MET 18 2HG MET 18 29.758 26.577 15.804 188 1HE MET 18 3HE MET 18 30.366 25.356 17.391 189 2HE MET 18 1HE MET 18 30.376 25.716 19.126 190 3HE MET 18 2HE MET 18 29.065 24.771 18.417 191 H LYS 19 H LYS 19 30.520 31.361 16.618 192 HA LYS 19 HA LYS 19 31.220 31.837 14.085 193 1HB LYS 19 1HB LYS 19 30.356 33.551 15.701 194 2HB LYS 19 2HB LYS 19 32.011 33.791 16.258 195 1HG LYS 19 1HG LYS 19 31.714 35.465 14.614 196 2HG LYS 19 2HG LYS 19 32.586 34.184 13.769 197 1HD LYS 19 1HD LYS 19 29.972 33.410 13.432 198 2HD LYS 19 2HD LYS 19 29.849 35.169 13.354 199 1HE LYS 19 1HE LYS 19 31.972 33.689 11.805 200 2HE LYS 19 2HE LYS 19 30.352 33.909 11.147 201 1HZ LYS 19 3HZ LYS 19 31.153 36.363 12.160 202 2HZ LYS 19 1HZ LYS 19 32.470 35.761 11.271 203 3HZ LYS 19 2HZ LYS 19 30.950 35.932 10.533 204 H VAL 20 H VAL 20 33.660 33.000 16.399 205 HA VAL 20 HA VAL 20 35.743 31.779 14.664 206 HB VAL 20 HB VAL 20 35.544 34.185 14.218 207 1HG1 VAL 20 1HG1 VAL 20 35.466 34.287 17.162 208 2HG1 VAL 20 2HG1 VAL 20 36.449 35.538 16.400 209 3HG1 VAL 20 3HG1 VAL 20 34.746 35.371 15.973 210 1HG2 VAL 20 2HG2 VAL 20 37.895 32.818 15.015 211 2HG2 VAL 20 3HG2 VAL 20 37.776 34.217 13.949 212 3HG2 VAL 20 1HG2 VAL 20 38.012 34.447 15.681 213 H ARG 21 H ARG 21 37.172 33.514 17.124 214 HA ARG 21 HA ARG 21 37.521 31.056 18.714 215 1HB ARG 21 1HB ARG 21 38.956 33.691 18.503 216 2HB ARG 21 2HB ARG 21 39.134 32.735 19.975 217 1HG ARG 21 1HG ARG 21 40.742 31.588 18.876 218 2HG ARG 21 2HG ARG 21 39.433 30.857 17.948 219 1HD ARG 21 1HD ARG 21 39.964 32.022 16.080 220 2HD ARG 21 2HD ARG 21 40.171 33.526 16.979 221 HE ARG 21 HE ARG 21 42.293 31.586 16.343 222 1HH1 ARG 21 1HH1 ARG 21 43.595 31.774 18.580 223 2HH1 ARG 21 2HH1 ARG 21 44.135 33.401 18.832 224 1HH2 ARG 21 1HH2 ARG 21 41.945 34.771 16.518 225 2HH2 ARG 21 2HH2 ARG 21 43.202 35.096 17.666 226 H LYS 22 H LYS 22 34.958 32.110 18.830 227 HA LYS 22 HA LYS 22 34.590 33.946 21.022 228 1HB LYS 22 1HB LYS 22 32.708 32.000 19.663 229 2HB LYS 22 2HB LYS 22 32.198 33.160 20.891 230 1HG LYS 22 1HG LYS 22 33.344 34.936 19.391 231 2HG LYS 22 2HG LYS 22 33.287 33.702 18.132 232 1HD LYS 22 1HD LYS 22 30.978 33.739 18.003 233 2HD LYS 22 2HD LYS 22 30.788 34.253 19.680 234 1HE LYS 22 1HE LYS 22 31.937 36.454 18.891 235 2HE LYS 22 2HE LYS 22 31.499 35.913 17.270 236 1HZ LYS 22 1HZ LYS 22 29.305 35.593 19.012 237 2HZ LYS 22 2HZ LYS 22 29.878 37.183 19.128 238 3HZ LYS 22 3HZ LYS 22 29.425 36.555 17.616 239 H CYS 23 H CYS 23 35.824 33.052 22.755 240 HA CYS 23 HA CYS 23 34.334 31.094 24.365 241 1HB CYS 23 1HB CYS 23 37.058 30.260 24.504 242 2HB CYS 23 2HB CYS 23 35.627 29.311 24.097 243 HG CYS 23 HG CYS 23 35.943 30.139 21.567 244 H SER 24 H SER 24 34.763 33.857 24.766 245 HA SER 24 HA SER 24 35.985 35.393 26.207 246 1HB SER 24 1HB SER 24 34.546 33.213 27.606 247 2HB SER 24 2HB SER 24 35.671 34.134 28.613 248 HG SER 24 HG SER 24 34.481 35.905 28.345 249 H THR 25 H THR 25 36.556 32.677 28.112 250 HA THR 25 HA THR 25 39.429 32.567 27.464 251 HB THR 25 HB THR 25 38.720 33.547 29.831 252 HG1 THR 25 HG1 THR 25 40.710 33.033 30.182 253 1HG2 THR 25 1HG2 THR 25 37.028 31.789 30.145 254 2HG2 THR 25 2HG2 THR 25 38.329 30.582 30.160 255 3HG2 THR 25 3HG2 THR 25 38.230 31.793 31.448 256 HA PRO 26 HA PRO 26 37.301 28.941 26.215 257 1HB PRO 26 1HB PRO 26 39.514 27.630 25.156 258 2HB PRO 26 2HB PRO 26 38.612 28.911 24.327 259 1HG PRO 26 1HG PRO 26 41.256 29.068 25.718 260 2HG PRO 26 2HG PRO 26 40.646 30.020 24.351 261 1HD PRO 26 1HD PRO 26 40.732 30.911 27.029 262 2HD PRO 26 2HD PRO 26 39.740 31.625 25.741 263 H GLU 27 H GLU 27 39.666 29.153 28.616 264 HA GLU 27 HA GLU 27 40.102 26.359 29.280 265 1HB GLU 27 1HB GLU 27 40.398 28.940 30.814 266 2HB GLU 27 2HB GLU 27 40.907 27.372 31.445 267 1HG GLU 27 1HG GLU 27 41.910 27.804 28.747 268 2HG GLU 27 2HG GLU 27 42.433 29.088 29.837 269 H GLU 28 H GLU 28 37.372 28.182 29.422 270 HA GLU 28 HA GLU 28 36.239 26.507 31.593 271 1HB GLU 28 1HB GLU 28 35.052 28.348 32.575 272 2HB GLU 28 2HB GLU 28 36.706 28.922 32.375 273 1HG GLU 28 1HG GLU 28 36.053 29.992 30.228 274 2HG GLU 28 2HG GLU 28 34.392 29.465 30.494 275 H ILE 29 H ILE 29 35.962 28.382 28.771 276 HA ILE 29 HA ILE 29 33.522 28.275 27.706 277 HB ILE 29 HB ILE 29 36.276 28.124 27.085 278 1HG1 ILE 29 1HG1 ILE 29 35.773 30.017 25.845 279 2HG1 ILE 29 2HG1 ILE 29 34.107 29.550 25.557 280 1HG2 ILE 29 2HG2 ILE 29 34.283 26.802 25.362 281 2HG2 ILE 29 3HG2 ILE 29 35.713 27.567 24.665 282 3HG2 ILE 29 1HG2 ILE 29 35.893 26.292 25.873 283 1HD1 ILE 29 1HD1 ILE 29 35.137 30.003 28.329 284 2HD1 ILE 29 2HD1 ILE 29 34.674 31.376 27.328 285 3HD1 ILE 29 3HD1 ILE 29 33.482 30.139 27.732 286 H LYS 30 H LYS 30 35.871 25.704 27.894 287 HA LYS 30 HA LYS 30 34.793 23.590 26.477 288 1HB LYS 30 1HB LYS 30 35.614 22.603 29.069 289 2HB LYS 30 2HB LYS 30 36.402 22.381 27.513 290 1HG LYS 30 1HG LYS 30 37.542 24.543 27.766 291 2HG LYS 30 2HG LYS 30 36.688 24.826 29.282 292 1HD LYS 30 1HD LYS 30 38.294 22.313 28.965 293 2HD LYS 30 2HD LYS 30 39.129 23.827 29.315 294 1HE LYS 30 1HE LYS 30 37.145 24.003 31.131 295 2HE LYS 30 2HE LYS 30 37.274 22.247 31.025 296 1HZ LYS 30 1HZ LYS 30 39.856 23.050 31.125 297 2HZ LYS 30 2HZ LYS 30 39.098 24.154 32.165 298 3HZ LYS 30 3HZ LYS 30 38.953 22.485 32.450 299 H LYS 31 H LYS 31 33.494 25.053 29.248 300 HA LYS 31 HA LYS 31 31.375 22.956 29.392 301 1HB LYS 31 1HB LYS 31 33.093 23.959 31.502 302 2HB LYS 31 2HB LYS 31 31.409 24.344 31.861 303 1HG LYS 31 1HG LYS 31 31.756 21.636 30.797 304 2HG LYS 31 2HG LYS 31 32.621 21.892 32.313 305 1HD LYS 31 1HD LYS 31 30.428 21.171 32.928 306 2HD LYS 31 2HD LYS 31 30.461 22.911 33.214 307 1HE LYS 31 1HE LYS 31 29.557 23.109 30.789 308 2HE LYS 31 2HE LYS 31 29.143 21.403 30.964 309 1HZ LYS 31 1HZ LYS 31 28.262 22.486 33.276 310 2HZ LYS 31 2HZ LYS 31 27.926 23.718 32.156 311 3HZ LYS 31 3HZ LYS 31 27.295 22.158 31.922 312 H ARG 32 H ARG 32 31.397 25.122 27.695 313 HA ARG 32 HA ARG 32 29.303 26.903 28.823 314 1HB ARG 32 1HB ARG 32 31.623 27.431 26.979 315 2HB ARG 32 2HB ARG 32 30.164 28.420 26.840 316 1HG ARG 32 1HG ARG 32 31.587 29.577 28.380 317 2HG ARG 32 2HG ARG 32 30.336 28.809 29.354 318 1HD ARG 32 1HD ARG 32 32.465 26.928 29.018 319 2HD ARG 32 2HD ARG 32 33.185 28.456 29.527 320 HE ARG 32 HE ARG 32 32.046 26.793 31.356 321 1HH1 ARG 32 1HH2 ARG 32 32.098 30.084 30.825 322 2HH1 ARG 32 2HH2 ARG 32 30.769 30.462 31.869 323 1HH2 ARG 32 1HH1 ARG 32 29.872 27.148 32.363 324 2HH2 ARG 32 2HH1 ARG 32 29.508 28.799 32.741 325 H LYS 33 H LYS 33 29.887 24.380 26.863 326 HA LYS 33 HA LYS 33 28.811 23.371 25.044 327 1HB LYS 33 1HB LYS 33 27.001 23.186 26.603 328 2HB LYS 33 2HB LYS 33 26.581 24.889 26.422 329 1HG LYS 33 1HG LYS 33 26.571 23.579 23.841 330 2HG LYS 33 2HG LYS 33 25.526 22.718 24.971 331 1HD LYS 33 1HD LYS 33 24.234 24.665 25.424 332 2HD LYS 33 2HD LYS 33 25.412 25.719 24.639 333 1HE LYS 33 1HE LYS 33 24.888 24.823 22.472 334 2HE LYS 33 2HE LYS 33 23.908 23.537 23.176 335 1HZ LYS 33 1HZ LYS 33 22.957 25.981 24.134 336 2HZ LYS 33 2HZ LYS 33 23.119 26.126 22.449 337 3HZ LYS 33 3HZ LYS 33 22.172 24.881 23.105 338 H LYS 34 H LYS 34 29.650 24.189 23.197 339 HA LYS 34 HA LYS 34 28.104 26.386 21.941 340 1HB LYS 34 1HB LYS 34 30.974 26.119 21.221 341 2HB LYS 34 2HB LYS 34 29.979 27.568 21.345 342 1HG LYS 34 1HG LYS 34 30.003 27.339 23.826 343 2HG LYS 34 2HG LYS 34 31.095 25.965 23.666 344 1HD LYS 34 1HD LYS 34 32.704 27.443 22.454 345 2HD LYS 34 2HD LYS 34 31.631 28.806 22.759 346 1HE LYS 34 1HE LYS 34 32.471 27.132 25.104 347 2HE LYS 34 2HE LYS 34 33.638 28.252 24.410 348 1HZ LYS 34 1HZ LYS 34 30.881 29.070 25.116 349 2HZ LYS 34 2HZ LYS 34 32.171 29.171 26.213 350 3HZ LYS 34 3HZ LYS 34 32.212 30.070 24.772 351 H ALA 35 H ALA 35 30.464 23.710 21.356 352 HA ALA 35 HA ALA 35 29.713 23.262 18.646 353 1HB ALA 35 2HB ALA 35 31.731 22.210 19.727 354 2HB ALA 35 3HB ALA 35 30.628 21.220 20.674 355 3HB ALA 35 1HB ALA 35 30.664 21.051 18.926 356 H VAL 36 H VAL 36 28.115 21.932 17.974 357 HA VAL 36 HA VAL 36 26.339 20.638 19.908 358 HB VAL 36 HB VAL 36 24.489 22.188 19.084 359 1HG1 VAL 36 3HG1 VAL 36 25.650 22.212 21.405 360 2HG1 VAL 36 1HG1 VAL 36 26.469 23.645 20.793 361 3HG1 VAL 36 2HG1 VAL 36 24.712 23.620 20.926 362 1HG2 VAL 36 2HG2 VAL 36 26.601 23.180 17.586 363 2HG2 VAL 36 3HG2 VAL 36 24.988 23.861 17.744 364 3HG2 VAL 36 1HG2 VAL 36 26.279 24.413 18.809 365 H ILE 37 H ILE 37 24.539 19.633 18.993 366 HA ILE 37 HA ILE 37 24.482 19.430 16.038 367 HB ILE 37 HB ILE 37 24.054 17.414 18.227 368 1HG1 ILE 37 1HG1 ILE 37 24.830 16.195 15.822 369 2HG1 ILE 37 2HG1 ILE 37 25.731 17.698 15.876 370 1HG2 ILE 37 3HG2 ILE 37 22.666 17.575 15.546 371 2HG2 ILE 37 1HG2 ILE 37 22.719 16.106 16.533 372 3HG2 ILE 37 2HG2 ILE 37 21.910 17.554 17.150 373 1HD1 ILE 37 2HD1 ILE 37 25.777 16.509 18.487 374 2HD1 ILE 37 3HD1 ILE 37 26.283 15.307 17.297 375 3HD1 ILE 37 1HD1 ILE 37 27.134 16.851 17.413 376 H PHE 38 H PHE 38 21.909 19.135 15.494 377 HA PHE 38 HA PHE 38 20.359 20.306 17.684 378 1HB PHE 38 1HB PHE 38 21.269 21.760 15.278 379 2HB PHE 38 2HB PHE 38 19.563 21.976 15.660 380 HD1 PHE 38 HD2 PHE 38 23.041 22.298 17.119 381 HD2 PHE 38 HD1 PHE 38 18.882 23.287 17.469 382 HE1 PHE 38 HE2 PHE 38 23.561 23.860 18.960 383 HE2 PHE 38 HE1 PHE 38 19.409 24.877 19.278 384 HZ PHE 38 HZ PHE 38 21.748 25.154 20.043 385 H CYS 39 H CYS 39 18.313 19.234 17.737 386 HA CYS 39 HA CYS 39 17.395 18.143 15.093 387 1HB CYS 39 1HB CYS 39 16.388 16.467 17.102 388 2HB CYS 39 2HB CYS 39 17.693 16.114 15.966 389 HG CYS 39 HG CYS 39 18.054 16.934 18.919 390 H LEU 40 H LEU 40 15.930 19.905 14.851 391 HA LEU 40 HA LEU 40 13.875 20.872 14.832 392 1HB LEU 40 1HB LEU 40 13.522 17.997 15.097 393 2HB LEU 40 2HB LEU 40 12.072 18.996 15.200 394 HG LEU 40 HG LEU 40 12.549 20.064 13.136 395 1HD1 LEU 40 1HD1 LEU 40 15.208 18.657 13.264 396 2HD1 LEU 40 2HD1 LEU 40 14.648 19.629 11.901 397 3HD1 LEU 40 3HD1 LEU 40 14.923 20.387 13.474 398 1HD2 LEU 40 1HD2 LEU 40 11.973 17.407 13.247 399 2HD2 LEU 40 2HD2 LEU 40 12.019 18.343 11.749 400 3HD2 LEU 40 3HD2 LEU 40 13.428 17.386 12.239 401 H SER 41 H SER 41 12.454 18.809 17.250 402 HA SER 41 HA SER 41 12.486 20.487 19.486 403 1HB SER 41 1HB SER 41 11.114 21.723 17.264 404 2HB SER 41 2HB SER 41 10.009 21.467 18.613 405 HG SER 41 HG SER 41 11.887 22.370 19.888 406 H ALA 42 H ALA 42 9.857 20.526 20.369 407 HA ALA 42 HA ALA 42 9.259 17.727 20.785 408 1HB ALA 42 2HB ALA 42 8.638 19.598 22.371 409 2HB ALA 42 3HB ALA 42 7.400 20.089 21.216 410 3HB ALA 42 1HB ALA 42 7.305 18.508 21.992 411 H ASP 43 H ASP 43 8.158 16.402 19.420 412 HA ASP 43 HA ASP 43 6.483 15.754 17.847 413 1HB ASP 43 1HB ASP 43 5.304 17.984 18.501 414 2HB ASP 43 2HB ASP 43 6.097 18.645 17.071 415 H LYS 44 H LYS 44 9.078 17.953 17.393 416 HA LYS 44 HA LYS 44 10.762 17.961 15.826 417 1HB LYS 44 1HB LYS 44 9.434 15.462 15.308 418 2HB LYS 44 2HB LYS 44 9.914 16.205 13.782 419 1HG LYS 44 1HG LYS 44 11.825 14.981 14.427 420 2HG LYS 44 2HG LYS 44 12.191 16.629 14.940 421 1HD LYS 44 1HD LYS 44 12.745 15.310 16.826 422 2HD LYS 44 2HD LYS 44 11.144 15.950 17.207 423 1HE LYS 44 1HE LYS 44 10.661 13.758 17.625 424 2HE LYS 44 2HE LYS 44 10.451 13.689 15.875 425 1HZ LYS 44 2HZ LYS 44 13.059 13.211 17.192 426 2HZ LYS 44 3HZ LYS 44 11.957 11.963 16.878 427 3HZ LYS 44 1HZ LYS 44 12.615 12.856 15.592 428 H LYS 45 H LYS 45 10.586 19.893 15.063 429 HA LYS 45 HA LYS 45 9.270 20.341 12.480 430 1HB LYS 45 1HB LYS 45 8.487 21.419 15.129 431 2HB LYS 45 2HB LYS 45 8.450 22.557 13.764 432 1HG LYS 45 1HG LYS 45 6.718 21.447 12.738 433 2HG LYS 45 2HG LYS 45 7.286 19.874 13.298 434 1HD LYS 45 1HD LYS 45 5.277 20.242 14.507 435 2HD LYS 45 2HD LYS 45 6.568 20.631 15.646 436 1HE LYS 45 1HE LYS 45 5.591 22.641 15.917 437 2HE LYS 45 2HE LYS 45 6.100 23.024 14.272 438 1HZ LYS 45 2HZ LYS 45 3.765 21.387 14.315 439 2HZ LYS 45 3HZ LYS 45 3.525 22.832 15.173 440 3HZ LYS 45 1HZ LYS 45 4.018 22.884 13.551 441 H CYS 46 H CYS 46 10.249 22.647 14.901 442 HA CYS 46 HA CYS 46 11.868 24.415 13.510 443 1HB CYS 46 1HB CYS 46 11.378 23.608 16.289 444 2HB CYS 46 2HB CYS 46 13.044 24.136 16.062 445 HG CYS 46 HG CYS 46 11.355 26.181 14.726 446 H ILE 47 H ILE 47 14.162 24.512 14.838 447 HA ILE 47 HA ILE 47 15.785 22.201 13.943 448 HB ILE 47 HB ILE 47 16.126 24.897 13.304 449 1HG1 ILE 47 1HG1 ILE 47 18.560 24.134 12.895 450 2HG1 ILE 47 2HG1 ILE 47 17.982 22.559 13.453 451 1HG2 ILE 47 1HG2 ILE 47 16.661 25.090 15.838 452 2HG2 ILE 47 2HG2 ILE 47 18.204 24.355 15.380 453 3HG2 ILE 47 3HG2 ILE 47 17.695 25.873 14.647 454 1HD1 ILE 47 2HD1 ILE 47 15.948 23.353 11.795 455 2HD1 ILE 47 3HD1 ILE 47 17.377 24.013 10.970 456 3HD1 ILE 47 1HD1 ILE 47 17.290 22.268 11.328 457 H ILE 48 H ILE 48 17.671 22.204 16.041 458 HA ILE 48 HA ILE 48 16.683 23.332 18.474 459 HB ILE 48 HB ILE 48 15.063 21.372 17.366 460 1HG1 ILE 48 1HG1 ILE 48 15.083 23.221 19.480 461 2HG1 ILE 48 2HG1 ILE 48 13.684 22.329 18.894 462 1HG2 ILE 48 2HG2 ILE 48 16.698 19.700 18.194 463 2HG2 ILE 48 3HG2 ILE 48 16.376 20.236 19.830 464 3HG2 ILE 48 1HG2 ILE 48 15.092 19.512 18.873 465 1HD1 ILE 48 3HD1 ILE 48 15.658 21.191 20.873 466 2HD1 ILE 48 1HD1 ILE 48 14.168 22.009 21.357 467 3HD1 ILE 48 2HD1 ILE 48 14.093 20.518 20.411 468 H VAL 49 H VAL 49 17.283 21.948 20.367 469 HA VAL 49 HA VAL 49 19.616 20.229 19.709 470 HB VAL 49 HB VAL 49 20.769 22.017 20.603 471 1HG1 VAL 49 3HG1 VAL 49 18.223 22.583 22.104 472 2HG1 VAL 49 1HG1 VAL 49 19.731 23.392 22.534 473 3HG1 VAL 49 2HG1 VAL 49 19.051 23.594 20.915 474 1HG2 VAL 49 3HG2 VAL 49 20.906 19.942 22.111 475 2HG2 VAL 49 1HG2 VAL 49 21.419 21.469 22.832 476 3HG2 VAL 49 2HG2 VAL 49 19.828 20.809 23.211 477 H GLU 50 H GLU 50 18.637 18.172 20.236 478 HA GLU 50 HA GLU 50 17.251 18.123 22.898 479 1HB GLU 50 1HB GLU 50 15.691 18.272 20.902 480 2HB GLU 50 2HB GLU 50 16.213 16.638 20.493 481 1HG GLU 50 1HG GLU 50 14.877 15.742 22.071 482 2HG GLU 50 2HG GLU 50 15.525 16.822 23.305 483 H GLU 51 H GLU 51 19.940 16.865 21.922 484 HA GLU 51 HA GLU 51 19.224 14.176 23.006 485 1HB GLU 51 1HB GLU 51 21.547 14.471 21.188 486 2HB GLU 51 2HB GLU 51 20.540 13.059 21.468 487 1HG GLU 51 1HG GLU 51 18.817 15.015 20.434 488 2HG GLU 51 2HG GLU 51 20.278 15.096 19.448 489 H GLY 52 H GLY 52 20.883 16.929 23.478 490 1HA GLY 52 1HA GLY 52 22.500 17.525 25.077 491 2HA GLY 52 2HA GLY 52 22.361 15.883 25.718 492 H LYS 53 H LYS 53 23.012 16.031 22.326 493 HA LYS 53 HA LYS 53 25.602 14.777 22.715 494 1HB LYS 53 1HB LYS 53 24.000 15.781 20.365 495 2HB LYS 53 2HB LYS 53 25.682 15.338 20.128 496 1HG LYS 53 1HG LYS 53 25.306 13.077 20.697 497 2HG LYS 53 2HG LYS 53 23.788 13.440 21.510 498 1HD LYS 53 1HD LYS 53 24.104 12.552 18.830 499 2HD LYS 53 2HD LYS 53 22.619 13.114 19.591 500 1HE LYS 53 1HE LYS 53 24.576 15.106 18.543 501 2HE LYS 53 2HE LYS 53 23.521 14.266 17.417 502 1HZ LYS 53 1HZ LYS 53 22.063 15.135 19.667 503 2HZ LYS 53 2HZ LYS 53 22.867 16.447 18.982 504 3HZ LYS 53 3HZ LYS 53 21.812 15.512 18.040 505 H GLU 54 H GLU 54 26.242 16.987 20.315 506 HA GLU 54 HA GLU 54 27.261 19.117 20.269 507 1HB GLU 54 1HB GLU 54 26.333 20.589 21.688 508 2HB GLU 54 2HB GLU 54 25.486 19.237 22.433 509 1HG GLU 54 1HG GLU 54 27.480 18.870 23.909 510 2HG GLU 54 2HG GLU 54 28.227 20.311 23.224 511 H ILE 55 H ILE 55 29.310 19.902 20.663 512 HA ILE 55 HA ILE 55 31.022 18.363 22.549 513 HB ILE 55 HB ILE 55 31.324 19.311 19.868 514 1HG1 ILE 55 1HG1 ILE 55 33.225 17.893 21.731 515 2HG1 ILE 55 2HG1 ILE 55 32.014 17.105 20.692 516 1HG2 ILE 55 2HG2 ILE 55 32.410 21.262 21.234 517 2HG2 ILE 55 3HG2 ILE 55 33.652 20.055 21.588 518 3HG2 ILE 55 1HG2 ILE 55 33.298 20.496 19.929 519 1HD1 ILE 55 2HD1 ILE 55 33.213 18.963 19.066 520 2HD1 ILE 55 3HD1 ILE 55 34.563 18.291 19.983 521 3HD1 ILE 55 1HD1 ILE 55 33.526 17.239 19.033 522 H LEU 56 H LEU 56 32.844 20.247 23.256 523 HA LEU 56 HA LEU 56 31.161 22.543 24.152 524 1HB LEU 56 1HB LEU 56 33.553 21.389 25.586 525 2HB LEU 56 2HB LEU 56 32.497 22.679 26.145 526 HG LEU 56 HG LEU 56 31.924 20.575 27.251 527 1HD1 LEU 56 2HD1 LEU 56 29.961 21.690 25.258 528 2HD1 LEU 56 3HD1 LEU 56 29.500 20.410 26.378 529 3HD1 LEU 56 1HD1 LEU 56 30.047 21.969 26.999 530 1HD2 LEU 56 3HD2 LEU 56 32.630 19.381 24.899 531 2HD2 LEU 56 1HD2 LEU 56 31.701 18.582 26.173 532 3HD2 LEU 56 2HD2 LEU 56 30.871 19.309 24.797 533 H VAL 57 H VAL 57 33.889 21.806 22.227 534 HA VAL 57 HA VAL 57 35.330 23.263 21.129 535 HB VAL 57 HB VAL 57 34.934 25.430 21.076 536 1HG1 VAL 57 2HG1 VAL 57 32.615 24.039 21.542 537 2HG1 VAL 57 3HG1 VAL 57 32.486 25.432 22.614 538 3HG1 VAL 57 1HG1 VAL 57 32.719 25.674 20.882 539 1HG2 VAL 57 1HG2 VAL 57 34.913 25.305 24.057 540 2HG2 VAL 57 2HG2 VAL 57 35.825 26.357 22.978 541 3HG2 VAL 57 3HG2 VAL 57 34.127 26.677 23.290 542 H GLY 58 H GLY 58 35.079 23.466 24.628 543 1HA GLY 58 1HA GLY 58 37.946 24.073 24.864 544 2HA GLY 58 2HA GLY 58 36.799 23.951 26.203 545 H ASP 59 H ASP 59 35.597 21.481 25.282 546 HA ASP 59 HA ASP 59 37.271 19.562 26.554 547 1HB ASP 59 1HB ASP 59 34.962 19.308 24.611 548 2HB ASP 59 2HB ASP 59 35.857 17.884 25.154 549 H VAL 60 H VAL 60 36.634 20.193 23.101 550 HA VAL 60 HA VAL 60 38.344 18.420 21.864 551 HB VAL 60 HB VAL 60 36.960 20.130 20.701 552 1HG1 VAL 60 1HG1 VAL 60 38.406 21.903 22.321 553 2HG1 VAL 60 2HG1 VAL 60 38.976 22.206 20.679 554 3HG1 VAL 60 3HG1 VAL 60 37.254 22.323 21.052 555 1HG2 VAL 60 1HG2 VAL 60 38.821 18.898 19.573 556 2HG2 VAL 60 2HG2 VAL 60 38.495 20.481 18.866 557 3HG2 VAL 60 3HG2 VAL 60 39.881 20.261 19.935 558 H GLY 61 H GLY 61 40.116 17.880 22.991 559 1HA GLY 61 1HA GLY 61 42.587 18.384 22.945 560 2HA GLY 61 2HA GLY 61 42.160 19.991 23.545 561 H VAL 62 H VAL 62 40.258 17.413 24.676 562 HA VAL 62 HA VAL 62 41.763 17.094 27.211 563 HB VAL 62 HB VAL 62 38.807 17.724 26.837 564 1HG1 VAL 62 1HG1 VAL 62 40.363 16.602 29.130 565 2HG1 VAL 62 2HG1 VAL 62 39.051 17.731 29.474 566 3HG1 VAL 62 3HG1 VAL 62 38.722 16.235 28.599 567 1HG2 VAL 62 2HG2 VAL 62 40.549 19.584 26.782 568 2HG2 VAL 62 3HG2 VAL 62 39.260 19.756 27.974 569 3HG2 VAL 62 1HG2 VAL 62 40.859 19.206 28.479 570 H THR 63 H THR 63 38.510 15.945 26.569 571 HA THR 63 HA THR 63 39.423 13.166 26.529 572 HB THR 63 HB THR 63 36.745 14.524 26.134 573 HG1 THR 63 HG1 THR 63 37.168 14.332 28.246 574 1HG2 THR 63 2HG2 THR 63 37.606 11.728 25.556 575 2HG2 THR 63 3HG2 THR 63 36.019 11.976 26.284 576 3HG2 THR 63 1HG2 THR 63 36.407 12.728 24.736 577 H ILE 64 H ILE 64 39.229 15.805 24.450 578 HA ILE 64 HA ILE 64 39.330 14.057 22.021 579 HB ILE 64 HB ILE 64 38.478 16.536 21.134 580 1HG1 ILE 64 1HG1 ILE 64 37.254 15.975 23.852 581 2HG1 ILE 64 2HG1 ILE 64 38.168 17.406 23.380 582 1HG2 ILE 64 1HG2 ILE 64 37.543 14.121 20.766 583 2HG2 ILE 64 2HG2 ILE 64 36.474 14.506 22.123 584 3HG2 ILE 64 3HG2 ILE 64 36.422 15.483 20.652 585 1HD1 ILE 64 3HD1 ILE 64 36.324 17.603 21.505 586 2HD1 ILE 64 1HD1 ILE 64 35.384 16.587 22.599 587 3HD1 ILE 64 2HD1 ILE 64 35.967 18.161 23.139 588 H THR 65 H THR 65 40.450 15.661 20.186 589 HA THR 65 HA THR 65 42.556 17.342 21.435 590 HB THR 65 HB THR 65 44.271 16.052 19.967 591 HG1 THR 65 HG1 THR 65 43.704 14.056 19.388 592 1HG2 THR 65 3HG2 THR 65 43.053 14.958 22.512 593 2HG2 THR 65 1HG2 THR 65 44.559 14.351 21.825 594 3HG2 THR 65 2HG2 THR 65 44.447 16.026 22.361 595 H ASP 66 H ASP 66 40.782 18.620 20.058 596 HA ASP 66 HA ASP 66 40.529 20.065 18.213 597 1HB ASP 66 1HB ASP 66 43.171 19.889 18.730 598 2HB ASP 66 2HB ASP 66 43.138 19.276 17.073 599 HA PRO 67 HA PRO 67 40.294 16.604 15.049 600 1HB PRO 67 1HB PRO 67 38.918 14.489 16.112 601 2HB PRO 67 2HB PRO 67 40.662 14.667 16.340 602 1HG PRO 67 1HG PRO 67 38.532 14.899 18.335 603 2HG PRO 67 2HG PRO 67 40.285 14.836 18.583 604 1HD PRO 67 1HD PRO 67 38.501 17.188 18.440 605 2HD PRO 67 2HD PRO 67 40.123 17.066 19.107 606 H PHE 68 H PHE 68 37.968 15.045 14.831 607 HA PHE 68 HA PHE 68 35.634 16.801 15.317 608 1HB PHE 68 1HB PHE 68 34.992 16.931 13.083 609 2HB PHE 68 2HB PHE 68 36.751 16.957 12.886 610 HD1 PHE 68 HD1 PHE 68 37.989 14.848 12.439 611 HD2 PHE 68 HD2 PHE 68 33.704 15.002 12.421 612 HE1 PHE 68 HE1 PHE 68 37.910 12.640 11.336 613 HE2 PHE 68 HE2 PHE 68 33.647 12.776 11.335 614 HZ PHE 68 HZ PHE 68 35.740 11.603 10.778 615 H LYS 69 H LYS 69 36.982 13.676 14.333 616 HA LYS 69 HA LYS 69 34.646 12.115 14.202 617 1HB LYS 69 1HB LYS 69 36.100 10.197 14.518 618 2HB LYS 69 2HB LYS 69 36.906 11.376 13.483 619 1HG LYS 69 1HG LYS 69 37.396 11.729 16.376 620 2HG LYS 69 2HG LYS 69 38.055 10.246 15.686 621 1HD LYS 69 1HD LYS 69 38.963 11.771 13.802 622 2HD LYS 69 2HD LYS 69 38.651 13.094 14.925 623 1HE LYS 69 1HE LYS 69 40.754 12.618 15.672 624 2HE LYS 69 2HE LYS 69 39.923 11.348 16.571 625 1HZ LYS 69 3HZ LYS 69 40.792 10.837 13.810 626 2HZ LYS 69 1HZ LYS 69 41.931 10.759 15.069 627 3HZ LYS 69 2HZ LYS 69 40.573 9.743 15.090 628 H HIS 70 H HIS 70 35.862 13.664 17.000 629 HA HIS 70 HA HIS 70 34.855 11.574 18.809 630 1HB HIS 70 1HB HIS 70 36.240 12.743 20.162 631 2HB HIS 70 2HB HIS 70 36.195 14.168 19.109 632 HD1 HIS 70 HD1 HIS 70 34.141 12.427 21.772 633 HD2 HIS 70 HD2 HIS 70 34.283 16.074 19.814 634 HE1 HIS 70 HE1 HIS 70 32.427 13.921 22.861 635 H PHE 71 H PHE 71 33.955 14.774 17.631 636 HA PHE 71 HA PHE 71 31.471 14.930 18.999 637 1HB PHE 71 1HB PHE 71 32.071 17.047 18.254 638 2HB PHE 71 2HB PHE 71 32.944 16.396 16.874 639 HD1 PHE 71 HD1 PHE 71 31.590 15.615 14.853 640 HD2 PHE 71 HD2 PHE 71 29.930 17.980 18.031 641 HE1 PHE 71 HE1 PHE 71 29.732 16.320 13.372 642 HE2 PHE 71 HE2 PHE 71 28.076 18.671 16.559 643 HZ PHE 71 HZ PHE 71 27.974 17.843 14.223 644 H VAL 72 H VAL 72 32.531 13.206 16.178 645 HA VAL 72 HA VAL 72 29.961 12.890 14.894 646 HB VAL 72 HB VAL 72 31.018 11.236 13.608 647 1HG1 VAL 72 1HG1 VAL 72 33.011 13.313 14.421 648 2HG1 VAL 72 2HG1 VAL 72 33.239 12.222 13.058 649 3HG1 VAL 72 3HG1 VAL 72 31.904 13.368 13.051 650 1HG2 VAL 72 2HG2 VAL 72 32.416 10.672 16.054 651 2HG2 VAL 72 3HG2 VAL 72 32.144 9.627 14.663 652 3HG2 VAL 72 1HG2 VAL 72 33.521 10.728 14.683 653 H GLY 73 H GLY 73 31.578 11.553 17.561 654 1HA GLY 73 1HA GLY 73 30.082 9.112 17.895 655 2HA GLY 73 2HA GLY 73 30.951 9.957 19.190 656 H MET 74 H MET 74 29.659 12.496 18.590 657 HA MET 74 HA MET 74 27.102 12.155 20.036 658 1HB MET 74 1HB MET 74 28.076 14.756 18.927 659 2HB MET 74 2HB MET 74 27.221 14.436 20.434 660 1HG MET 74 1HG MET 74 29.277 13.274 21.293 661 2HG MET 74 2HG MET 74 30.128 13.805 19.841 662 1HE MET 74 3HE MET 74 29.423 16.010 18.933 663 2HE MET 74 1HE MET 74 29.609 17.523 19.820 664 3HE MET 74 2HE MET 74 31.021 16.484 19.527 665 H LEU 75 H LEU 75 27.924 11.441 17.136 666 HA LEU 75 HA LEU 75 25.463 12.460 15.860 667 1HB LEU 75 1HB LEU 75 28.078 11.796 14.457 668 2HB LEU 75 2HB LEU 75 26.625 12.443 13.715 669 HG LEU 75 HG LEU 75 28.304 13.868 15.779 670 1HD1 LEU 75 1HD1 LEU 75 28.476 13.588 12.898 671 2HD1 LEU 75 2HD1 LEU 75 28.187 15.269 13.346 672 3HD1 LEU 75 3HD1 LEU 75 29.580 14.411 13.998 673 1HD2 LEU 75 1HD2 LEU 75 25.827 14.386 15.761 674 2HD2 LEU 75 2HD2 LEU 75 26.859 15.759 15.360 675 3HD2 LEU 75 3HD2 LEU 75 26.012 14.891 14.082 676 HA PRO 76 HA PRO 76 25.740 7.824 16.181 677 1HB PRO 76 1HB PRO 76 23.140 7.516 17.040 678 2HB PRO 76 2HB PRO 76 24.520 7.741 18.128 679 1HG PRO 76 1HG PRO 76 22.428 9.720 17.305 680 2HG PRO 76 2HG PRO 76 23.330 9.606 18.828 681 1HD PRO 76 1HD PRO 76 23.884 11.422 16.782 682 2HD PRO 76 2HD PRO 76 25.035 10.940 18.044 683 H GLU 77 H GLU 77 23.241 6.541 15.465 684 HA GLU 77 HA GLU 77 23.025 7.536 12.668 685 1HB GLU 77 1HB GLU 77 22.213 4.775 13.584 686 2HB GLU 77 2HB GLU 77 22.678 5.306 11.968 687 1HG GLU 77 1HG GLU 77 24.935 5.217 12.433 688 2HG GLU 77 2HG GLU 77 24.707 5.589 14.141 689 H LYS 78 H LYS 78 21.377 6.830 15.602 690 HA LYS 78 HA LYS 78 18.689 6.879 14.443 691 1HB LYS 78 1HB LYS 78 17.921 6.387 16.595 692 2HB LYS 78 2HB LYS 78 19.510 5.626 16.577 693 1HG LYS 78 1HG LYS 78 19.016 8.428 17.606 694 2HG LYS 78 2HG LYS 78 19.042 7.006 18.637 695 1HD LYS 78 1HD LYS 78 21.361 6.575 17.445 696 2HD LYS 78 2HD LYS 78 21.291 8.312 17.154 697 1HE LYS 78 1HE LYS 78 21.120 6.929 19.846 698 2HE LYS 78 2HE LYS 78 22.459 7.910 19.250 699 1HZ LYS 78 1HZ LYS 78 19.693 8.921 19.604 700 2HZ LYS 78 2HZ LYS 78 20.922 9.103 20.758 701 3HZ LYS 78 3HZ LYS 78 21.078 9.831 19.229 702 H ASP 79 H ASP 79 20.688 9.332 14.422 703 HA ASP 79 HA ASP 79 18.566 11.211 15.224 704 1HB ASP 79 1HB ASP 79 19.901 12.455 16.672 705 2HB ASP 79 2HB ASP 79 20.425 10.810 17.037 706 H CYS 80 H CYS 80 18.200 12.503 13.626 707 HA CYS 80 HA CYS 80 20.342 13.223 11.696 708 1HB CYS 80 1HB CYS 80 18.384 13.867 10.229 709 2HB CYS 80 2HB CYS 80 18.431 12.145 10.615 710 HG CYS 80 HG CYS 80 16.593 12.567 12.449 711 H ARG 81 H ARG 81 21.187 15.179 12.601 712 HA ARG 81 HA ARG 81 19.220 17.363 12.968 713 1HB ARG 81 1HB ARG 81 20.873 17.669 15.201 714 2HB ARG 81 2HB ARG 81 19.191 17.168 15.206 715 1HG ARG 81 1HG ARG 81 21.355 15.136 14.733 716 2HG ARG 81 2HG ARG 81 20.972 15.656 16.373 717 1HD ARG 81 1HD ARG 81 18.584 15.050 14.812 718 2HD ARG 81 2HD ARG 81 19.659 13.683 14.970 719 HE ARG 81 HE ARG 81 19.512 14.568 17.542 720 1HH1 ARG 81 1HH2 ARG 81 17.479 13.174 15.190 721 2HH1 ARG 81 2HH2 ARG 81 16.102 13.048 16.230 722 1HH2 ARG 81 1HH1 ARG 81 17.597 14.702 18.874 723 2HH2 ARG 81 2HH1 ARG 81 16.165 13.919 18.301 724 H TYR 82 H TYR 82 20.208 19.530 13.060 725 HA TYR 82 HA TYR 82 22.621 19.708 11.417 726 1HB TYR 82 1HB TYR 82 20.757 21.772 12.587 727 2HB TYR 82 2HB TYR 82 22.184 22.185 11.643 728 HD1 TYR 82 HD2 TYR 82 21.985 19.661 9.851 729 HD2 TYR 82 HD1 TYR 82 19.167 22.689 10.943 730 HE1 TYR 82 HE2 TYR 82 20.766 19.252 7.746 731 HE2 TYR 82 HE1 TYR 82 17.927 22.286 8.826 732 HH TYR 82 HH TYR 82 18.138 21.344 6.738 733 H ALA 83 H ALA 83 24.722 20.365 12.161 734 HA ALA 83 HA ALA 83 24.831 20.992 15.050 735 1HB ALA 83 3HB ALA 83 25.441 18.569 14.203 736 2HB ALA 83 1HB ALA 83 26.982 19.345 13.849 737 3HB ALA 83 2HB ALA 83 26.362 19.348 15.490 738 H LEU 84 H LEU 84 26.084 22.574 15.602 739 HA LEU 84 HA LEU 84 28.169 23.646 13.757 740 1HB LEU 84 1HB LEU 84 26.562 25.004 15.881 741 2HB LEU 84 2HB LEU 84 27.918 25.759 15.061 742 HG LEU 84 HG LEU 84 25.200 25.086 14.010 743 1HD1 LEU 84 2HD1 LEU 84 27.187 27.323 13.951 744 2HD1 LEU 84 3HD1 LEU 84 25.957 27.237 12.692 745 3HD1 LEU 84 1HD1 LEU 84 25.478 27.371 14.384 746 1HD2 LEU 84 1HD2 LEU 84 26.768 23.765 12.605 747 2HD2 LEU 84 2HD2 LEU 84 26.069 25.108 11.718 748 3HD2 LEU 84 3HD2 LEU 84 27.718 25.223 12.324 749 H TYR 85 H TYR 85 29.964 22.732 14.345 750 HA TYR 85 HA TYR 85 30.532 22.491 17.272 751 1HB TYR 85 1HB TYR 85 30.804 20.362 16.426 752 2HB TYR 85 2HB TYR 85 31.289 20.943 14.830 753 HD1 TYR 85 HD2 TYR 85 32.404 21.050 18.396 754 HD2 TYR 85 HD1 TYR 85 33.546 20.868 14.236 755 HE1 TYR 85 HE2 TYR 85 34.807 20.763 19.051 756 HE2 TYR 85 HE1 TYR 85 35.927 20.553 14.897 757 HH TYR 85 HH TYR 85 36.875 19.783 18.049 758 H ASP 86 H ASP 86 31.708 24.237 17.935 759 HA ASP 86 HA ASP 86 33.207 26.009 16.355 760 1HB ASP 86 1HB ASP 86 32.703 25.852 19.006 761 2HB ASP 86 2HB ASP 86 34.379 25.306 19.000 762 H ALA 87 H ALA 87 34.291 24.795 14.743 763 HA ALA 87 HA ALA 87 36.018 22.612 15.233 764 1HB ALA 87 3HB ALA 87 35.215 24.069 12.989 765 2HB ALA 87 1HB ALA 87 36.973 24.245 13.034 766 3HB ALA 87 2HB ALA 87 36.240 22.638 12.995 767 H SER 88 H SER 88 38.377 23.409 13.975 768 HA SER 88 HA SER 88 39.743 25.574 15.146 769 1HB SER 88 1HB SER 88 41.082 24.245 16.855 770 2HB SER 88 2HB SER 88 39.425 24.658 17.306 771 HG SER 88 HG SER 88 39.787 22.481 17.726 772 H PHE 89 H PHE 89 40.616 25.573 13.151 773 HA PHE 89 HA PHE 89 42.721 23.549 12.597 774 1HB PHE 89 1HB PHE 89 41.814 23.169 10.366 775 2HB PHE 89 2HB PHE 89 40.557 22.818 11.561 776 HD1 PHE 89 HD1 PHE 89 38.712 24.434 11.985 777 HD2 PHE 89 HD2 PHE 89 41.692 25.154 8.971 778 HE1 PHE 89 HE1 PHE 89 37.282 26.192 10.976 779 HE2 PHE 89 HE2 PHE 89 40.256 26.901 7.961 780 HZ PHE 89 HZ PHE 89 38.052 27.424 8.968 781 H GLU 90 H GLU 90 44.460 24.488 11.428 782 HA GLU 90 HA GLU 90 44.283 27.380 10.978 783 1HB GLU 90 1HB GLU 90 46.505 25.538 10.075 784 2HB GLU 90 2HB GLU 90 46.570 27.303 10.250 785 1HG GLU 90 1HG GLU 90 46.587 27.220 12.544 786 2HG GLU 90 2HG GLU 90 45.783 25.653 12.610 787 H THR 91 H THR 91 45.039 28.151 8.779 788 HA THR 91 HA THR 91 44.092 26.379 6.601 789 HB THR 91 HB THR 91 42.008 27.348 6.992 790 HG1 THR 91 HG1 THR 91 41.706 28.713 5.397 791 1HG2 THR 91 3HG2 THR 91 42.811 28.574 8.952 792 2HG2 THR 91 1HG2 THR 91 43.460 29.855 7.905 793 3HG2 THR 91 2HG2 THR 91 41.718 29.561 7.988 794 H LYS 92 H LYS 92 44.138 28.226 4.440 795 HA LYS 92 HA LYS 92 46.907 28.963 4.273 796 1HB LYS 92 1HB LYS 92 44.497 30.074 2.777 797 2HB LYS 92 2HB LYS 92 46.183 30.311 2.311 798 1HG LYS 92 1HG LYS 92 46.472 27.924 1.949 799 2HG LYS 92 2HG LYS 92 44.850 27.602 2.562 800 1HD LYS 92 1HD LYS 92 45.107 27.665 0.011 801 2HD LYS 92 2HD LYS 92 43.823 28.655 0.696 802 1HE LYS 92 1HE LYS 92 45.319 30.628 0.631 803 2HE LYS 92 2HE LYS 92 46.575 29.633 -0.105 804 1HZ LYS 92 3HZ LYS 92 44.935 29.125 -1.896 805 2HZ LYS 92 1HZ LYS 92 43.918 30.311 -1.235 806 3HZ LYS 92 2HZ LYS 92 45.443 30.745 -1.843 807 H GLU 93 H GLU 93 44.113 30.183 5.839 808 HA GLU 93 HA GLU 93 45.014 32.897 6.153 809 1HB GLU 93 1HB GLU 93 42.682 32.696 6.047 810 2HB GLU 93 2HB GLU 93 42.681 31.244 7.045 811 1HG GLU 93 1HG GLU 93 41.866 32.974 8.426 812 2HG GLU 93 2HG GLU 93 43.527 32.703 8.933 813 H SER 94 H SER 94 45.119 29.865 7.817 814 HA SER 94 HA SER 94 46.973 29.413 9.352 815 1HB SER 94 1HB SER 94 46.151 32.077 10.461 816 2HB SER 94 2HB SER 94 47.371 31.011 11.151 817 HG SER 94 HG SER 94 48.731 31.807 9.770 818 H ARG 95 H ARG 95 46.670 29.571 11.985 819 HA ARG 95 HA ARG 95 44.654 27.793 12.696 820 1HB ARG 95 1HB ARG 95 46.636 28.689 14.093 821 2HB ARG 95 2HB ARG 95 45.506 29.948 14.580 822 1HG ARG 95 1HG ARG 95 45.111 28.364 16.233 823 2HG ARG 95 2HG ARG 95 43.899 27.912 15.036 824 1HD ARG 95 1HD ARG 95 44.889 25.922 14.650 825 2HD ARG 95 2HD ARG 95 46.482 26.664 14.501 826 HE ARG 95 HE ARG 95 46.569 26.611 17.029 827 1HH1 ARG 95 1HH1 ARG 95 43.836 25.853 17.731 828 2HH1 ARG 95 2HH1 ARG 95 43.924 24.131 17.901 829 1HH2 ARG 95 1HH2 ARG 95 46.911 23.841 16.175 830 2HH2 ARG 95 2HH2 ARG 95 45.659 22.996 17.023 831 H LYS 96 H LYS 96 42.741 28.251 11.917 832 HA LYS 96 HA LYS 96 41.261 30.563 13.056 833 1HB LYS 96 1HB LYS 96 41.002 29.527 10.210 834 2HB LYS 96 2HB LYS 96 40.073 30.848 10.922 835 1HG LYS 96 1HG LYS 96 43.058 30.992 11.020 836 2HG LYS 96 2HG LYS 96 42.248 31.330 9.493 837 1HD LYS 96 1HD LYS 96 41.584 32.674 12.125 838 2HD LYS 96 2HD LYS 96 42.608 33.379 10.873 839 1HE LYS 96 1HE LYS 96 40.821 33.988 9.631 840 2HE LYS 96 2HE LYS 96 40.071 32.402 9.802 841 1HZ LYS 96 3HZ LYS 96 40.076 33.984 12.213 842 2HZ LYS 96 1HZ LYS 96 39.162 34.656 10.948 843 3HZ LYS 96 2HZ LYS 96 38.818 33.090 11.502 844 H GLU 97 H GLU 97 39.807 29.592 14.396 845 HA GLU 97 HA GLU 97 38.823 26.925 13.795 846 1HB GLU 97 1HB GLU 97 39.210 27.022 16.066 847 2HB GLU 97 2HB GLU 97 38.859 28.749 16.157 848 1HG GLU 97 1HG GLU 97 36.501 28.320 15.847 849 2HG GLU 97 2HG GLU 97 36.819 26.596 15.644 850 H GLU 98 H GLU 98 36.998 26.684 12.755 851 HA GLU 98 HA GLU 98 34.879 28.757 12.918 852 1HB GLU 98 1HB GLU 98 35.084 29.331 10.750 853 2HB GLU 98 2HB GLU 98 36.553 28.359 10.682 854 1HG GLU 98 1HG GLU 98 35.287 26.393 10.035 855 2HG GLU 98 2HG GLU 98 33.763 27.263 10.230 856 H LEU 99 H LEU 99 33.082 27.702 13.643 857 HA LEU 99 HA LEU 99 32.849 24.873 13.693 858 1HB LEU 99 1HB LEU 99 30.448 25.136 14.118 859 2HB LEU 99 2HB LEU 99 31.400 26.191 15.128 860 HG LEU 99 HG LEU 99 29.245 27.143 14.094 861 1HD1 LEU 99 3HD1 LEU 99 31.705 28.358 14.685 862 2HD1 LEU 99 1HD1 LEU 99 31.145 29.112 13.201 863 3HD1 LEU 99 2HD1 LEU 99 30.116 29.133 14.641 864 1HD2 LEU 99 2HD2 LEU 99 29.755 26.212 11.794 865 2HD2 LEU 99 3HD2 LEU 99 29.267 27.906 11.835 866 3HD2 LEU 99 1HD2 LEU 99 30.969 27.483 11.635 867 H MET 100 H MET 100 30.946 23.736 12.584 868 HA MET 100 HA MET 100 30.673 24.651 9.798 869 1HB MET 100 1HB MET 100 31.770 21.978 10.547 870 2HB MET 100 2HB MET 100 31.583 22.639 8.913 871 1HG MET 100 1HG MET 100 33.065 24.542 9.570 872 2HG MET 100 2HG MET 100 33.349 23.745 11.111 873 1HE MET 100 2HE MET 100 33.024 20.874 10.174 874 2HE MET 100 3HE MET 100 32.618 21.300 8.509 875 3HE MET 100 1HE MET 100 34.024 20.291 8.834 876 H PHE 101 H PHE 101 28.638 24.584 9.427 877 HA PHE 101 HA PHE 101 26.560 23.420 10.746 878 1HB PHE 101 1HB PHE 101 26.770 24.755 8.404 879 2HB PHE 101 2HB PHE 101 26.458 23.137 7.805 880 HD1 PHE 101 HD1 PHE 101 24.961 23.557 11.021 881 HD2 PHE 101 HD2 PHE 101 24.446 24.445 6.853 882 HE1 PHE 101 HE1 PHE 101 22.555 23.863 11.388 883 HE2 PHE 101 HE2 PHE 101 22.020 24.768 7.231 884 HZ PHE 101 HZ PHE 101 21.065 24.467 9.498 885 H PHE 102 H PHE 102 25.715 21.314 10.926 886 HA PHE 102 HA PHE 102 27.042 19.293 9.179 887 1HB PHE 102 1HB PHE 102 27.007 19.426 12.121 888 2HB PHE 102 2HB PHE 102 26.654 17.842 11.433 889 HD1 PHE 102 HD2 PHE 102 28.238 16.909 9.646 890 HD2 PHE 102 HD1 PHE 102 29.194 20.261 12.180 891 HE1 PHE 102 HE2 PHE 102 30.675 16.657 9.107 892 HE2 PHE 102 HE1 PHE 102 31.594 20.009 11.656 893 HZ PHE 102 HZ PHE 102 32.345 18.199 10.104 894 H LEU 103 H LEU 103 25.410 18.514 7.957 895 HA LEU 103 HA LEU 103 22.693 18.396 9.033 896 1HB LEU 103 1HB LEU 103 23.785 17.501 6.353 897 2HB LEU 103 2HB LEU 103 22.090 17.531 6.809 898 HG LEU 103 HG LEU 103 21.910 19.743 6.390 899 1HD1 LEU 103 1HD1 LEU 103 23.210 20.128 8.576 900 2HD1 LEU 103 2HD1 LEU 103 24.637 20.321 7.561 901 3HD1 LEU 103 3HD1 LEU 103 23.285 21.433 7.391 902 1HD2 LEU 103 2HD2 LEU 103 24.695 19.292 5.301 903 2HD2 LEU 103 3HD2 LEU 103 23.172 19.199 4.415 904 3HD2 LEU 103 1HD2 LEU 103 23.757 20.755 5.000 905 H TRP 104 H TRP 104 24.360 16.939 10.530 906 HA TRP 104 HA TRP 104 25.003 14.362 9.982 907 1HB TRP 104 1HB TRP 104 25.280 15.396 12.249 908 2HB TRP 104 2HB TRP 104 23.543 15.221 12.523 909 HD1 TRP 104 HD1 TRP 104 23.598 13.311 14.381 910 HE1 TRP 104 HE1 TRP 104 24.312 10.846 14.279 911 HE3 TRP 104 HE3 TRP 104 26.115 13.238 9.912 912 HZ2 TRP 104 HZ2 TRP 104 25.838 9.078 12.511 913 HZ3 TRP 104 HZ3 TRP 104 27.090 11.235 9.060 914 HH2 TRP 104 HH2 TRP 104 26.983 9.125 10.349 915 H ALA 105 H ALA 105 23.612 13.356 8.488 916 HA ALA 105 HA ALA 105 20.822 12.814 9.444 917 1HB ALA 105 2HB ALA 105 21.106 14.473 7.463 918 2HB ALA 105 3HB ALA 105 21.586 13.060 6.524 919 3HB ALA 105 1HB ALA 105 19.978 13.135 7.242 920 HA PRO 106 HA PRO 106 22.928 8.852 8.851 921 1HB PRO 106 1HB PRO 106 21.418 7.545 10.744 922 2HB PRO 106 2HB PRO 106 22.896 8.453 11.098 923 1HG PRO 106 1HG PRO 106 20.054 9.225 11.593 924 2HG PRO 106 2HG PRO 106 21.516 9.703 12.471 925 1HD PRO 106 1HD PRO 106 20.158 11.294 10.591 926 2HD PRO 106 2HD PRO 106 21.823 11.564 11.153 927 H GLU 107 H GLU 107 22.212 6.957 7.827 928 HA GLU 107 HA GLU 107 20.070 7.239 6.011 929 1HB GLU 107 1HB GLU 107 21.612 4.815 6.946 930 2HB GLU 107 2HB GLU 107 20.450 4.766 5.621 931 1HG GLU 107 1HG GLU 107 21.767 6.069 4.230 932 2HG GLU 107 2HG GLU 107 22.563 6.885 5.575 933 H LEU 108 H LEU 108 19.625 6.654 9.333 934 HA LEU 108 HA LEU 108 17.203 5.034 8.711 935 1HB LEU 108 1HB LEU 108 17.944 5.051 11.519 936 2HB LEU 108 2HB LEU 108 17.625 3.687 10.457 937 HG LEU 108 HG LEU 108 19.864 3.449 11.164 938 1HD1 LEU 108 3HD1 LEU 108 19.308 3.784 8.481 939 2HD1 LEU 108 1HD1 LEU 108 20.758 4.756 8.734 940 3HD1 LEU 108 2HD1 LEU 108 20.759 3.044 9.155 941 1HD2 LEU 108 3HD2 LEU 108 19.843 6.352 11.084 942 2HD2 LEU 108 1HD2 LEU 108 20.780 5.264 12.100 943 3HD2 LEU 108 2HD2 LEU 108 21.342 5.653 10.472 944 H ALA 109 H ALA 109 18.359 7.872 10.523 945 HA ALA 109 HA ALA 109 16.014 8.304 12.049 946 1HB ALA 109 1HB ALA 109 18.320 9.851 11.371 947 2HB ALA 109 2HB ALA 109 16.849 10.853 11.201 948 3HB ALA 109 3HB ALA 109 17.221 10.046 12.747 949 HA PRO 110 HA PRO 110 14.530 11.315 8.869 950 1HB PRO 110 1HB PRO 110 15.734 11.348 6.378 951 2HB PRO 110 2HB PRO 110 16.043 12.454 7.725 952 1HG PRO 110 1HG PRO 110 17.639 10.171 6.766 953 2HG PRO 110 2HG PRO 110 18.120 11.615 7.667 954 1HD PRO 110 1HD PRO 110 17.809 9.046 8.795 955 2HD PRO 110 2HD PRO 110 17.903 10.579 9.690 956 H LEU 111 H LEU 111 14.063 11.185 6.181 957 HA LEU 111 HA LEU 111 12.695 9.996 4.607 958 1HB LEU 111 1HB LEU 111 13.103 7.806 6.133 959 2HB LEU 111 2HB LEU 111 11.583 8.324 6.865 960 HG LEU 111 HG LEU 111 12.045 7.757 3.922 961 1HD1 LEU 111 1HD1 LEU 111 11.808 5.842 5.664 962 2HD1 LEU 111 2HD1 LEU 111 10.124 6.354 5.770 963 3HD1 LEU 111 3HD1 LEU 111 10.782 5.798 4.232 964 1HD2 LEU 111 1HD2 LEU 111 9.664 8.819 5.459 965 2HD2 LEU 111 2HD2 LEU 111 10.449 9.528 4.047 966 3HD2 LEU 111 3HD2 LEU 111 9.500 8.051 3.880 967 H LYS 112 H LYS 112 12.788 11.466 7.471 968 HA LYS 112 HA LYS 112 10.312 12.888 7.198 969 1HB LYS 112 1HB LYS 112 10.366 11.064 9.087 970 2HB LYS 112 2HB LYS 112 11.520 12.156 9.866 971 1HG LYS 112 1HG LYS 112 9.598 13.042 10.688 972 2HG LYS 112 2HG LYS 112 9.719 13.932 9.172 973 1HD LYS 112 1HD LYS 112 8.126 11.380 9.573 974 2HD LYS 112 2HD LYS 112 7.433 12.999 9.466 975 1HE LYS 112 1HE LYS 112 8.412 13.240 7.184 976 2HE LYS 112 2HE LYS 112 9.026 11.589 7.286 977 1HZ LYS 112 2HZ LYS 112 6.701 10.860 7.652 978 2HZ LYS 112 3HZ LYS 112 6.181 12.448 7.357 979 3HZ LYS 112 1HZ LYS 112 6.957 11.567 6.129 980 H SER 113 H SER 113 13.675 12.556 8.605 981 HA SER 113 HA SER 113 13.917 15.466 8.770 982 1HB SER 113 1HB SER 113 15.638 14.795 10.090 983 2HB SER 113 2HB SER 113 15.496 13.123 9.512 984 HG SER 113 HG SER 113 17.318 13.574 8.558 985 H LYS 114 H LYS 114 14.059 12.993 6.403 986 HA LYS 114 HA LYS 114 15.838 14.291 4.513 987 1HB LYS 114 1HB LYS 114 15.228 12.563 3.017 988 2HB LYS 114 2HB LYS 114 15.090 11.791 4.593 989 1HG LYS 114 1HG LYS 114 12.692 11.944 4.579 990 2HG LYS 114 2HG LYS 114 12.708 13.096 3.247 991 1HD LYS 114 1HD LYS 114 14.018 10.495 2.702 992 2HD LYS 114 2HD LYS 114 12.261 10.483 2.854 993 1HE LYS 114 1HE LYS 114 12.032 12.182 1.142 994 2HE LYS 114 2HE LYS 114 13.780 12.410 1.076 995 1HZ LYS 114 2HZ LYS 114 13.036 9.681 0.698 996 2HZ LYS 114 3HZ LYS 114 12.317 10.692 -0.462 997 3HZ LYS 114 1HZ LYS 114 14.005 10.678 -0.271 998 H MET 115 H MET 115 12.377 14.110 5.080 999 HA MET 115 HA MET 115 11.710 15.862 2.808 1000 1HB MET 115 1HB MET 115 9.830 15.489 5.066 1001 2HB MET 115 2HB MET 115 9.517 15.411 3.329 1002 1HG MET 115 1HG MET 115 10.790 13.203 3.295 1003 2HG MET 115 2HG MET 115 10.779 13.260 5.058 1004 1HE MET 115 2HE MET 115 9.819 11.704 2.496 1005 2HE MET 115 3HE MET 115 8.810 10.615 3.446 1006 3HE MET 115 1HE MET 115 8.075 11.626 2.204 1007 H ILE 116 H ILE 116 12.668 16.281 6.087 1008 HA ILE 116 HA ILE 116 11.231 18.788 6.289 1009 HB ILE 116 HB ILE 116 12.606 16.812 8.001 1010 1HG1 ILE 116 1HG1 ILE 116 10.109 18.528 8.339 1011 2HG1 ILE 116 2HG1 ILE 116 10.140 16.868 7.750 1012 1HG2 ILE 116 3HG2 ILE 116 12.605 19.759 8.423 1013 2HG2 ILE 116 1HG2 ILE 116 12.413 18.698 9.825 1014 3HG2 ILE 116 2HG2 ILE 116 13.830 18.544 8.789 1015 1HD1 ILE 116 2HD1 ILE 116 11.591 16.787 10.144 1016 2HD1 ILE 116 3HD1 ILE 116 10.213 17.834 10.491 1017 3HD1 ILE 116 1HD1 ILE 116 9.948 16.197 9.893 1018 H TYR 117 H TYR 117 14.435 17.613 7.074 1019 HA TYR 117 HA TYR 117 15.728 20.131 7.307 1020 1HB TYR 117 1HB TYR 117 16.611 17.331 6.755 1021 2HB TYR 117 2HB TYR 117 17.787 18.646 6.730 1022 HD1 TYR 117 HD1 TYR 117 16.323 20.274 9.012 1023 HD2 TYR 117 HD2 TYR 117 17.560 16.187 8.603 1024 HE1 TYR 117 HE1 TYR 117 16.471 20.062 11.486 1025 HE2 TYR 117 HE2 TYR 117 17.700 15.974 11.054 1026 HH TYR 117 HH TYR 117 17.446 18.737 13.155 1027 H ALA 118 H ALA 118 15.022 17.991 4.703 1028 HA ALA 118 HA ALA 118 16.550 18.807 2.565 1029 1HB ALA 118 1HB ALA 118 13.882 17.770 3.050 1030 2HB ALA 118 2HB ALA 118 13.912 18.815 1.623 1031 3HB ALA 118 3HB ALA 118 14.981 17.411 1.711 1032 H SER 119 H SER 119 13.831 20.474 4.111 1033 HA SER 119 HA SER 119 14.522 22.908 2.500 1034 1HB SER 119 1HB SER 119 11.919 21.778 3.433 1035 2HB SER 119 2HB SER 119 12.077 23.524 3.262 1036 HG SER 119 HG SER 119 11.956 23.259 1.190 1037 H SER 120 H SER 120 14.730 21.549 5.535 1038 HA SER 120 HA SER 120 14.092 23.883 7.165 1039 1HB SER 120 1HB SER 120 14.453 21.344 7.904 1040 2HB SER 120 2HB SER 120 16.127 21.881 8.080 1041 HG SER 120 HG SER 120 15.570 23.089 9.719 1042 H LYS 121 H LYS 121 16.772 22.731 5.348 1043 HA LYS 121 HA LYS 121 18.625 24.705 6.438 1044 1HB LYS 121 1HB LYS 121 18.764 22.392 4.689 1045 2HB LYS 121 2HB LYS 121 19.837 23.738 4.260 1046 1HG LYS 121 1HG LYS 121 20.698 23.851 6.498 1047 2HG LYS 121 2HG LYS 121 19.526 22.679 7.066 1048 1HD LYS 121 1HD LYS 121 21.609 21.507 6.723 1049 2HD LYS 121 2HD LYS 121 20.518 21.031 5.415 1050 1HE LYS 121 1HE LYS 121 21.715 23.392 4.527 1051 2HE LYS 121 2HE LYS 121 23.038 22.474 5.256 1052 1HZ LYS 121 3HZ LYS 121 21.698 20.581 3.880 1053 2HZ LYS 121 1HZ LYS 121 21.521 21.930 2.864 1054 3HZ LYS 121 2HZ LYS 121 23.072 21.396 3.310 1055 H ASP 122 H ASP 122 17.253 26.227 6.078 1056 HA ASP 122 HA ASP 122 17.665 28.051 3.959 1057 1HB ASP 122 1HB ASP 122 15.779 26.070 3.277 1058 2HB ASP 122 2HB ASP 122 14.804 27.428 3.845 1059 H ALA 123 H ALA 123 15.560 26.646 6.355 1060 HA ALA 123 HA ALA 123 14.596 29.231 7.393 1061 1HB ALA 123 2HB ALA 123 13.527 26.803 7.499 1062 2HB ALA 123 3HB ALA 123 14.545 26.656 8.937 1063 3HB ALA 123 1HB ALA 123 13.314 27.921 8.851 1064 H ILE 124 H ILE 124 16.656 26.573 8.575 1065 HA ILE 124 HA ILE 124 17.817 27.874 10.792 1066 HB ILE 124 HB ILE 124 18.165 25.506 10.399 1067 1HG1 ILE 124 1HG1 ILE 124 20.895 26.467 9.885 1068 2HG1 ILE 124 2HG1 ILE 124 20.055 27.315 11.179 1069 1HG2 ILE 124 3HG2 ILE 124 18.206 25.975 7.831 1070 2HG2 ILE 124 1HG2 ILE 124 19.940 26.195 8.081 1071 3HG2 ILE 124 2HG2 ILE 124 19.182 24.648 8.466 1072 1HD1 ILE 124 3HD1 ILE 124 20.058 24.310 11.049 1073 2HD1 ILE 124 1HD1 ILE 124 21.420 25.190 11.783 1074 3HD1 ILE 124 2HD1 ILE 124 19.776 25.364 12.466 1075 H LYS 125 H LYS 125 18.614 27.748 7.385 1076 HA LYS 125 HA LYS 125 21.098 29.099 7.435 1077 1HB LYS 125 1HB LYS 125 19.310 28.108 5.486 1078 2HB LYS 125 2HB LYS 125 19.629 29.796 5.075 1079 1HG LYS 125 1HG LYS 125 21.745 29.326 4.453 1080 2HG LYS 125 2HG LYS 125 22.043 28.460 5.958 1081 1HD LYS 125 1HD LYS 125 22.302 26.982 3.984 1082 2HD LYS 125 2HD LYS 125 20.997 26.446 5.043 1083 1HE LYS 125 1HE LYS 125 20.419 26.450 2.582 1084 2HE LYS 125 2HE LYS 125 19.329 27.390 3.597 1085 1HZ LYS 125 2HZ LYS 125 21.605 28.857 2.593 1086 2HZ LYS 125 3HZ LYS 125 20.536 28.323 1.388 1087 3HZ LYS 125 1HZ LYS 125 19.966 29.302 2.654 1088 H LYS 126 H LYS 126 17.796 30.348 7.502 1089 HA LYS 126 HA LYS 126 18.381 33.051 6.876 1090 1HB LYS 126 1HB LYS 126 16.277 31.740 8.578 1091 2HB LYS 126 2HB LYS 126 16.416 33.501 8.556 1092 1HG LYS 126 1HG LYS 126 16.412 32.048 5.943 1093 2HG LYS 126 2HG LYS 126 14.881 32.214 6.802 1094 1HD LYS 126 1HD LYS 126 15.090 34.623 6.845 1095 2HD LYS 126 2HD LYS 126 16.725 34.538 6.185 1096 1HE LYS 126 1HE LYS 126 15.889 34.543 4.095 1097 2HE LYS 126 2HE LYS 126 14.992 33.067 4.448 1098 1HZ LYS 126 2HZ LYS 126 13.973 35.658 5.399 1099 2HZ LYS 126 3HZ LYS 126 13.723 35.200 3.783 1100 3HZ LYS 126 1HZ LYS 126 13.121 34.233 5.040 1101 H LYS 127 H LYS 127 19.098 31.143 9.639 1102 HA LYS 127 HA LYS 127 20.214 33.518 11.065 1103 1HB LYS 127 1HB LYS 127 20.217 30.912 12.447 1104 2HB LYS 127 2HB LYS 127 19.785 32.502 13.062 1105 1HG LYS 127 1HG LYS 127 18.000 30.981 11.163 1106 2HG LYS 127 2HG LYS 127 17.885 30.795 12.914 1107 1HD LYS 127 1HD LYS 127 16.859 32.794 13.161 1108 2HD LYS 127 2HD LYS 127 17.993 33.596 12.069 1109 1HE LYS 127 1HE LYS 127 16.110 33.724 10.757 1110 2HE LYS 127 2HE LYS 127 16.685 32.131 10.273 1111 1HZ LYS 127 3HZ LYS 127 15.263 31.186 12.045 1112 2HZ LYS 127 1HZ LYS 127 14.612 32.734 12.306 1113 3HZ LYS 127 2HZ LYS 127 14.388 31.954 10.812 1114 H PHE 128 H PHE 128 20.815 30.616 9.371 1115 HA PHE 128 HA PHE 128 23.642 30.447 10.270 1116 1HB PHE 128 1HB PHE 128 21.679 28.627 8.987 1117 2HB PHE 128 2HB PHE 128 23.358 28.436 8.477 1118 HD1 PHE 128 HD2 PHE 128 22.390 29.904 11.642 1119 HD2 PHE 128 HD1 PHE 128 23.719 26.292 9.710 1120 HE1 PHE 128 HE2 PHE 128 22.833 28.889 13.844 1121 HE2 PHE 128 HE1 PHE 128 24.140 25.277 11.951 1122 HZ PHE 128 HZ PHE 128 23.694 26.572 14.010 1123 H GLN 129 H GLN 129 22.841 32.644 9.008 1124 HA GLN 129 HA GLN 129 23.225 32.714 6.165 1125 1HB GLN 129 1HB GLN 129 24.110 35.038 7.817 1126 2HB GLN 129 2HB GLN 129 23.082 35.007 6.383 1127 1HG GLN 129 1HG GLN 129 21.549 33.589 8.147 1128 2HG GLN 129 2HG GLN 129 22.346 34.722 9.237 1129 1HE2 GLN 129 2HE2 GLN 129 19.390 36.026 6.817 1130 2HE2 GLN 129 1HE2 GLN 129 19.815 34.388 6.929 1131 H GLY 130 H GLY 130 25.411 32.548 8.849 1132 1HA GLY 130 1HA GLY 130 27.705 32.475 6.934 1133 2HA GLY 130 2HA GLY 130 27.844 33.333 8.475 1134 H ILE 131 H ILE 131 26.578 30.173 7.411 1135 HA ILE 131 HA ILE 131 26.965 28.764 9.766 1136 HB ILE 131 HB ILE 131 26.312 28.268 7.025 1137 1HG1 ILE 131 1HG1 ILE 131 24.811 27.861 8.841 1138 2HG1 ILE 131 2HG1 ILE 131 25.174 26.329 8.047 1139 1HG2 ILE 131 2HG2 ILE 131 28.466 27.134 6.970 1140 2HG2 ILE 131 3HG2 ILE 131 27.971 26.177 8.380 1141 3HG2 ILE 131 1HG2 ILE 131 27.115 26.004 6.852 1142 1HD1 ILE 131 3HD1 ILE 131 27.159 26.288 9.739 1143 2HD1 ILE 131 1HD1 ILE 131 26.095 27.392 10.650 1144 3HD1 ILE 131 2HD1 ILE 131 25.524 25.773 10.234 1145 H LYS 132 H LYS 132 29.269 29.795 7.477 1146 HA LYS 132 HA LYS 132 31.638 29.694 7.644 1147 1HB LYS 132 1HB LYS 132 31.449 27.553 9.754 1148 2HB LYS 132 2HB LYS 132 32.720 28.745 9.502 1149 1HG LYS 132 1HG LYS 132 29.994 29.160 10.696 1150 2HG LYS 132 2HG LYS 132 31.559 29.496 11.420 1151 1HD LYS 132 1HD LYS 132 30.504 30.908 8.965 1152 2HD LYS 132 2HD LYS 132 30.352 31.546 10.601 1153 1HE LYS 132 1HE LYS 132 32.440 32.374 10.481 1154 2HE LYS 132 2HE LYS 132 33.072 30.750 10.213 1155 1HZ LYS 132 2HZ LYS 132 31.839 32.275 8.011 1156 2HZ LYS 132 3HZ LYS 132 33.467 32.521 8.429 1157 3HZ LYS 132 1HZ LYS 132 32.945 30.988 7.929 1158 H HIS 133 H HIS 133 29.796 26.704 8.181 1159 HA HIS 133 HA HIS 133 30.995 25.648 5.674 1160 1HB HIS 133 1HB HIS 133 31.744 24.690 8.371 1161 2HB HIS 133 2HB HIS 133 31.482 23.472 7.130 1162 HD1 HIS 133 HD1 HIS 133 32.580 24.979 4.683 1163 HD2 HIS 133 HD2 HIS 133 34.489 24.874 8.380 1164 HE1 HIS 133 HE1 HIS 133 35.014 25.519 4.239 1165 H GLU 134 H GLU 134 29.243 24.798 4.641 1166 HA GLU 134 HA GLU 134 27.216 23.518 6.357 1167 1HB GLU 134 1HB GLU 134 25.825 24.500 4.956 1168 2HB GLU 134 2HB GLU 134 27.094 24.867 3.793 1169 1HG GLU 134 1HG GLU 134 26.162 22.036 4.012 1170 2HG GLU 134 2HG GLU 134 25.097 23.190 3.223 1171 H CYS 135 H CYS 135 27.715 21.562 6.791 1172 HA CYS 135 HA CYS 135 28.798 19.787 4.622 1173 1HB CYS 135 1HB CYS 135 30.556 20.429 6.276 1174 2HB CYS 135 2HB CYS 135 29.579 19.684 7.544 1175 HG CYS 135 HG CYS 135 30.907 18.090 5.202 1176 H GLN 136 H GLN 136 27.304 18.253 4.174 1177 HA GLN 136 HA GLN 136 25.559 17.288 6.368 1178 1HB GLN 136 1HB GLN 136 24.435 17.770 4.228 1179 2HB GLN 136 2HB GLN 136 25.522 16.660 3.395 1180 1HG GLN 136 1HG GLN 136 24.608 14.768 4.463 1181 2HG GLN 136 2HG GLN 136 23.875 15.731 5.739 1182 1HE2 GLN 136 2HE2 GLN 136 21.007 16.577 3.810 1183 2HE2 GLN 136 1HE2 GLN 136 21.991 17.150 5.058 1184 H ALA 137 H ALA 137 25.295 14.903 6.586 1185 HA ALA 137 HA ALA 137 27.434 13.202 5.557 1186 1HB ALA 137 1HB ALA 137 28.547 14.323 7.475 1187 2HB ALA 137 2HB ALA 137 27.266 13.730 8.533 1188 3HB ALA 137 3HB ALA 137 28.349 12.590 7.735 1189 H ASN 138 H ASN 138 26.300 11.492 4.985 1190 HA ASN 138 HA ASN 138 24.085 10.602 6.773 1191 1HB ASN 138 1HB ASN 138 24.599 10.043 3.843 1192 2HB ASN 138 2HB ASN 138 23.328 9.251 4.789 1193 1HD2 ASN 138 2HD2 ASN 138 22.895 13.351 4.352 1194 2HD2 ASN 138 1HD2 ASN 138 24.445 12.715 4.616 1195 H GLY 139 H GLY 139 26.503 10.337 7.526 1196 1HA GLY 139 1HA GLY 139 26.938 7.761 8.385 1197 2HA GLY 139 2HA GLY 139 27.917 7.944 6.904 1198 HA PRO 140 HA PRO 140 29.374 10.646 10.558 1199 1HB PRO 140 1HB PRO 140 31.097 8.894 11.866 1200 2HB PRO 140 2HB PRO 140 29.423 9.213 12.357 1201 1HG PRO 140 1HG PRO 140 30.540 6.850 10.886 1202 2HG PRO 140 2HG PRO 140 29.184 6.923 12.028 1203 1HD PRO 140 1HD PRO 140 28.886 6.797 9.254 1204 2HD PRO 140 2HD PRO 140 27.652 7.442 10.357 1205 H GLU 141 H GLU 141 30.422 8.828 7.953 1206 HA GLU 141 HA GLU 141 33.282 9.461 8.000 1207 1HB GLU 141 1HB GLU 141 33.309 7.660 6.661 1208 2HB GLU 141 2HB GLU 141 31.539 7.634 6.627 1209 1HG GLU 141 1HG GLU 141 31.530 9.332 4.871 1210 2HG GLU 141 2HG GLU 141 33.292 9.398 4.910 1211 H ASP 142 H ASP 142 30.334 10.975 6.830 1212 HA ASP 142 HA ASP 142 31.620 12.456 4.692 1213 1HB ASP 142 1HB ASP 142 29.027 12.307 5.885 1214 2HB ASP 142 2HB ASP 142 29.538 13.997 5.926 1215 H LEU 143 H LEU 143 31.538 12.549 8.103 1216 HA LEU 143 HA LEU 143 32.572 15.259 8.471 1217 1HB LEU 143 1HB LEU 143 32.254 12.901 10.328 1218 2HB LEU 143 2HB LEU 143 32.629 14.551 10.835 1219 HG LEU 143 HG LEU 143 30.391 14.828 9.199 1220 1HD1 LEU 143 3HD1 LEU 143 30.129 12.359 9.273 1221 2HD1 LEU 143 1HD1 LEU 143 30.043 12.437 11.031 1222 3HD1 LEU 143 2HD1 LEU 143 28.784 13.191 10.052 1223 1HD2 LEU 143 1HD2 LEU 143 31.039 15.892 11.423 1224 2HD2 LEU 143 2HD2 LEU 143 29.323 15.534 11.216 1225 3HD2 LEU 143 3HD2 LEU 143 30.332 14.474 12.200 1226 H ASN 144 H ASN 144 33.720 12.412 7.406 1227 HA ASN 144 HA ASN 144 35.793 11.198 7.961 1228 1HB ASN 144 1HB ASN 144 35.286 11.858 5.625 1229 2HB ASN 144 2HB ASN 144 36.168 13.362 5.904 1230 1HD2 ASN 144 2HD2 ASN 144 38.720 10.328 6.491 1231 2HD2 ASN 144 1HD2 ASN 144 37.357 10.521 7.487 1232 H ARG 145 H ARG 145 36.593 14.562 7.286 1233 HA ARG 145 HA ARG 145 37.833 15.914 9.032 1234 1HB ARG 145 1HB ARG 145 38.578 13.698 10.152 1235 2HB ARG 145 2HB ARG 145 39.814 13.655 8.925 1236 1HG ARG 145 1HG ARG 145 40.042 16.216 9.828 1237 2HG ARG 145 2HG ARG 145 39.551 15.381 11.311 1238 1HD ARG 145 1HD ARG 145 41.728 14.255 9.554 1239 2HD ARG 145 2HD ARG 145 42.090 15.503 10.747 1240 HE ARG 145 HE ARG 145 40.585 13.269 11.864 1241 1HH1 ARG 145 1HH1 ARG 145 43.194 15.188 12.378 1242 2HH1 ARG 145 2HH1 ARG 145 44.277 13.943 12.907 1243 1HH2 ARG 145 1HH2 ARG 145 42.178 11.353 11.948 1244 2HH2 ARG 145 2HH2 ARG 145 43.701 11.769 12.662 1245 H ALA 146 H ALA 146 39.292 13.557 6.858 1246 HA ALA 146 HA ALA 146 41.100 15.357 5.521 1247 1HB ALA 146 1HB ALA 146 41.111 12.778 5.475 1248 2HB ALA 146 2HB ALA 146 39.726 12.909 4.375 1249 3HB ALA 146 3HB ALA 146 41.302 13.568 3.907 1250 H CYS 147 H CYS 147 37.823 14.253 5.312 1251 HA CYS 147 HA CYS 147 37.121 15.638 2.833 1252 1HB CYS 147 1HB CYS 147 36.059 13.586 4.078 1253 2HB CYS 147 2HB CYS 147 35.172 14.868 4.927 1254 HG CYS 147 HG CYS 147 35.049 15.248 1.905 1255 H ILE 148 H ILE 148 36.871 16.179 6.288 1256 HA ILE 148 HA ILE 148 35.440 18.644 5.986 1257 HB ILE 148 HB ILE 148 37.242 17.509 8.135 1258 1HG1 ILE 148 1HG1 ILE 148 35.455 16.167 8.466 1259 2HG1 ILE 148 2HG1 ILE 148 34.626 17.600 9.073 1260 1HG2 ILE 148 2HG2 ILE 148 35.529 19.943 7.933 1261 2HG2 ILE 148 3HG2 ILE 148 36.049 19.290 9.487 1262 3HG2 ILE 148 1HG2 ILE 148 37.244 19.832 8.301 1263 1HD1 ILE 148 1HD1 ILE 148 33.835 18.058 6.749 1264 2HD1 ILE 148 2HD1 ILE 148 34.612 16.551 6.226 1265 3HD1 ILE 148 3HD1 ILE 148 33.263 16.499 7.372 1266 H ALA 149 H ALA 149 38.508 17.384 5.512 1267 HA ALA 149 HA ALA 149 39.989 19.944 5.458 1268 1HB ALA 149 1HB ALA 149 40.712 17.048 5.103 1269 2HB ALA 149 2HB ALA 149 41.868 18.349 4.839 1270 3HB ALA 149 3HB ALA 149 41.166 18.097 6.436 1271 H GLU 150 H GLU 150 37.834 19.122 3.766 1272 HA GLU 150 HA GLU 150 38.982 19.531 1.076 1273 1HB GLU 150 1HB GLU 150 38.207 17.478 0.558 1274 2HB GLU 150 2HB GLU 150 37.393 17.320 2.115 1275 1HG GLU 150 1HG GLU 150 35.482 18.582 1.294 1276 2HG GLU 150 2HG GLU 150 36.306 18.901 -0.235 1277 H LYS 151 H LYS 151 36.317 19.718 3.357 1278 HA LYS 151 HA LYS 151 34.786 21.666 1.838 1279 1HB LYS 151 1HB LYS 151 33.270 20.791 3.263 1280 2HB LYS 151 2HB LYS 151 34.529 20.011 4.213 1281 1HG LYS 151 1HG LYS 151 34.823 21.914 5.580 1282 2HG LYS 151 2HG LYS 151 33.928 22.953 4.469 1283 1HD LYS 151 1HD LYS 151 32.699 20.590 5.930 1284 2HD LYS 151 2HD LYS 151 32.604 22.258 6.502 1285 1HE LYS 151 1HE LYS 151 30.618 22.101 5.302 1286 2HE LYS 151 2HE LYS 151 31.707 22.749 4.076 1287 1HZ LYS 151 2HZ LYS 151 31.819 19.905 4.183 1288 2HZ LYS 151 3HZ LYS 151 30.238 20.449 3.902 1289 3HZ LYS 151 1HZ LYS 151 31.484 20.922 2.864 1290 H LEU 152 H LEU 152 37.396 21.414 4.032 1291 HA LEU 152 HA LEU 152 37.667 24.385 4.252 1292 1HB LEU 152 1HB LEU 152 38.814 22.179 6.013 1293 2HB LEU 152 2HB LEU 152 39.166 23.891 6.189 1294 HG LEU 152 HG LEU 152 36.316 23.468 6.169 1295 1HD1 LEU 152 3HD1 LEU 152 37.948 21.491 7.562 1296 2HD1 LEU 152 1HD1 LEU 152 36.883 22.368 8.669 1297 3HD1 LEU 152 2HD1 LEU 152 36.206 21.506 7.284 1298 1HD2 LEU 152 2HD2 LEU 152 38.364 24.471 8.167 1299 2HD2 LEU 152 3HD2 LEU 152 37.359 25.448 7.095 1300 3HD2 LEU 152 1HD2 LEU 152 36.622 24.570 8.439 1301 H GLY 153 H GLY 153 39.239 21.232 3.933 1302 1HA GLY 153 1HA GLY 153 41.732 22.420 2.927 1303 2HA GLY 153 2HA GLY 153 41.435 20.725 3.245 1304 H GLY 154 H GLY 154 38.912 21.948 1.585 1305 1HA GLY 154 1HA GLY 154 40.101 21.106 -1.040 1306 2HA GLY 154 2HA GLY 154 38.392 20.889 -0.650 1307 H SER 155 H SER 155 40.115 23.671 0.436 1308 HA SER 155 HA SER 155 39.130 25.364 -1.757 1309 1HB SER 155 1HB SER 155 38.387 26.408 0.891 1310 2HB SER 155 2HB SER 155 37.492 26.433 -0.624 1311 HG SER 155 HG SER 155 36.550 24.620 -0.091 1312 H LEU 156 H LEU 156 40.060 26.207 1.582 1313 HA LEU 156 HA LEU 156 42.668 27.209 0.594 1314 1HB LEU 156 1HB LEU 156 40.781 29.058 2.024 1315 2HB LEU 156 2HB LEU 156 42.249 29.467 1.143 1316 HG LEU 156 HG LEU 156 40.953 28.340 -0.856 1317 1HD1 LEU 156 3HD1 LEU 156 39.000 28.212 1.127 1318 2HD1 LEU 156 1HD1 LEU 156 38.502 29.542 0.079 1319 3HD1 LEU 156 2HD1 LEU 156 38.772 27.931 -0.604 1320 1HD2 LEU 156 2HD2 LEU 156 40.921 31.085 0.250 1321 2HD2 LEU 156 3HD2 LEU 156 41.469 30.520 -1.328 1322 3HD2 LEU 156 1HD2 LEU 156 39.748 30.758 -1.026 1323 H ILE 157 H ILE 157 42.692 25.226 2.611 1324 HA ILE 157 HA ILE 157 43.169 26.959 4.978 1325 HB ILE 157 HB ILE 157 42.793 25.001 6.376 1326 1HG1 ILE 157 1HG1 ILE 157 41.923 23.720 3.794 1327 2HG1 ILE 157 2HG1 ILE 157 43.455 23.350 4.607 1328 1HG2 ILE 157 1HG2 ILE 157 40.880 26.443 4.787 1329 2HG2 ILE 157 2HG2 ILE 157 40.295 24.806 5.073 1330 3HG2 ILE 157 3HG2 ILE 157 40.716 25.839 6.435 1331 1HD1 ILE 157 3HD1 ILE 157 41.592 23.276 6.617 1332 2HD1 ILE 157 1HD1 ILE 157 40.764 22.505 5.260 1333 3HD1 ILE 157 2HD1 ILE 157 42.309 21.874 5.818 1334 H VAL 158 H VAL 158 44.505 24.613 6.246 1335 HA VAL 158 HA VAL 158 46.932 24.213 4.689 1336 HB VAL 158 HB VAL 158 46.747 26.073 7.046 1337 1HG1 VAL 158 2HG1 VAL 158 48.862 24.075 6.484 1338 2HG1 VAL 158 3HG1 VAL 158 49.438 25.715 6.782 1339 3HG1 VAL 158 1HG1 VAL 158 48.456 24.890 7.995 1340 1HG2 VAL 158 3HG2 VAL 158 48.161 26.083 4.368 1341 2HG2 VAL 158 1HG2 VAL 158 46.839 27.131 4.888 1342 3HG2 VAL 158 2HG2 VAL 158 48.440 27.304 5.609 1343 H ALA 159 H ALA 159 45.119 23.955 7.658 1344 HA ALA 159 HA ALA 159 46.414 21.329 8.245 1345 1HB ALA 159 3HB ALA 159 45.093 23.354 10.059 1346 2HB ALA 159 1HB ALA 159 45.481 21.707 10.560 1347 3HB ALA 159 2HB ALA 159 46.773 22.814 10.099 1348 H PHE 160 H PHE 160 45.097 19.658 8.731 1349 HA PHE 160 HA PHE 160 43.063 18.422 8.828 1350 1HB PHE 160 1HB PHE 160 41.962 21.056 8.654 1351 2HB PHE 160 2HB PHE 160 41.269 20.104 7.336 1352 HD1 PHE 160 HD1 PHE 160 42.503 19.132 10.686 1353 HD2 PHE 160 HD2 PHE 160 39.138 19.410 8.060 1354 HE1 PHE 160 HE1 PHE 160 41.112 17.929 12.361 1355 HE2 PHE 160 HE2 PHE 160 37.733 18.204 9.728 1356 HZ PHE 160 HZ PHE 160 38.720 17.471 11.875 1357 H GLU 161 H GLU 161 43.809 20.667 6.322 1358 HA GLU 161 HA GLU 161 43.670 18.640 4.184 1359 1HB GLU 161 1HB GLU 161 42.892 21.227 4.140 1360 2HB GLU 161 2HB GLU 161 44.587 21.446 3.734 1361 1HG GLU 161 1HG GLU 161 42.579 19.736 2.249 1362 2HG GLU 161 2HG GLU 161 43.384 21.192 1.668 1363 H GLY 162 H GLY 162 45.840 20.493 6.269 1364 1HA GLY 162 1HA GLY 162 48.123 19.270 4.748 1365 2HA GLY 162 2HA GLY 162 48.209 20.904 5.372 1366 H CYS 163 H CYS 163 48.119 21.092 7.846 1367 HA CYS 163 HA CYS 163 50.136 19.600 8.996 1368 1HB CYS 163 1HB CYS 163 48.007 21.298 10.117 1369 2HB CYS 163 2HB CYS 163 48.873 20.252 11.244 1370 HG CYS 163 HG CYS 163 51.071 21.422 9.865 1371 HA PRO 164 HA PRO 164 47.502 16.464 11.305 1372 1HB PRO 164 1HB PRO 164 44.761 16.755 11.210 1373 2HB PRO 164 2HB PRO 164 45.792 17.407 12.500 1374 1HG PRO 164 1HG PRO 164 44.538 18.821 10.180 1375 2HG PRO 164 2HG PRO 164 44.878 19.429 11.807 1376 1HD PRO 164 1HD PRO 164 46.490 20.047 9.619 1377 2HD PRO 164 2HD PRO 164 47.054 20.008 11.294 1378 H VAL 165 H VAL 165 45.866 17.682 8.361 1379 HA VAL 165 HA VAL 165 46.375 15.042 7.133 1380 HB VAL 165 HB VAL 165 43.727 15.252 6.395 1381 1HG1 VAL 165 1HG1 VAL 165 44.916 13.692 8.710 1382 2HG1 VAL 165 2HG1 VAL 165 43.391 13.318 7.904 1383 3HG1 VAL 165 3HG1 VAL 165 44.911 13.193 7.018 1384 1HG2 VAL 165 3HG2 VAL 165 43.870 16.919 8.582 1385 2HG2 VAL 165 1HG2 VAL 165 42.414 16.084 8.049 1386 3HG2 VAL 165 2HG2 VAL 165 43.418 15.386 9.320 No H/Q in entry = 1386 Start of MODEL 15 1 1H THR -8 3H THR -8 4.282 20.065 28.590 2 2H THR -8 1H THR -8 2.931 21.038 28.266 3 3H THR -8 2H THR -8 4.274 21.693 29.074 4 HA THR -8 HA THR -8 3.874 20.403 31.005 5 HB THR -8 HB THR -8 1.155 20.966 31.017 6 HG1 THR -8 HG1 THR -8 2.462 22.884 29.399 7 1HG2 THR -8 1HG2 THR -8 2.870 21.710 32.645 8 2HG2 THR -8 2HG2 THR -8 3.454 22.889 31.471 9 3HG2 THR -8 3HG2 THR -8 1.827 23.037 32.136 10 H MET -7 H MET -7 2.345 19.223 28.147 11 HA MET -7 HA MET -7 1.967 16.607 29.388 12 1HB MET -7 1HB MET -7 -0.239 18.430 29.303 13 2HB MET -7 2HB MET -7 -0.553 17.126 28.158 14 1HG MET -7 1HG MET -7 -0.889 15.630 29.820 15 2HG MET -7 2HG MET -7 0.585 16.125 30.650 16 1HE MET -7 2HE MET -7 -2.358 15.232 31.049 17 2HE MET -7 3HE MET -7 -2.454 15.712 32.741 18 3HE MET -7 1HE MET -7 -3.533 16.451 31.561 19 H ILE -6 H ILE -6 1.607 14.959 27.782 20 HA ILE -6 HA ILE -6 2.918 15.348 25.322 21 HB ILE -6 HB ILE -6 2.111 13.154 26.568 22 1HG1 ILE -6 1HG1 ILE -6 1.939 12.605 23.717 23 2HG1 ILE -6 2HG1 ILE -6 3.220 13.767 24.063 24 1HG2 ILE -6 1HG2 ILE -6 -0.327 13.882 25.990 25 2HG2 ILE -6 2HG2 ILE -6 0.047 13.283 24.374 26 3HG2 ILE -6 3HG2 ILE -6 0.120 12.192 25.757 27 1HD1 ILE -6 1HD1 ILE -6 4.082 12.222 25.833 28 2HD1 ILE -6 2HD1 ILE -6 2.868 11.040 25.341 29 3HD1 ILE -6 3HD1 ILE -6 4.141 11.518 24.217 30 H THR -5 H THR -5 1.625 14.732 23.156 31 HA THR -5 HA THR -5 -0.979 16.081 22.962 32 HB THR -5 HB THR -5 0.321 17.350 20.901 33 HG1 THR -5 HG1 THR -5 2.309 17.739 21.439 34 1HG2 THR -5 3HG2 THR -5 -1.267 18.131 22.852 35 2HG2 THR -5 1HG2 THR -5 0.244 18.650 23.601 36 3HG2 THR -5 2HG2 THR -5 -0.234 19.302 22.032 37 HA PRO -4 HA PRO -4 -0.858 12.755 19.949 38 1HB PRO -4 1HB PRO -4 -3.580 12.686 19.584 39 2HB PRO -4 2HB PRO -4 -2.753 11.906 20.944 40 1HG PRO -4 1HG PRO -4 -4.367 14.416 20.917 41 2HG PRO -4 2HG PRO -4 -4.083 13.279 22.245 42 1HD PRO -4 1HD PRO -4 -2.796 15.773 21.907 43 2HD PRO -4 2HD PRO -4 -2.283 14.474 23.008 44 H SER -3 H SER -3 0.150 14.172 18.322 45 HA SER -3 HA SER -3 -1.377 14.604 15.993 46 1HB SER -3 1HB SER -3 -1.701 16.694 17.962 47 2HB SER -3 2HB SER -3 -0.922 17.338 16.519 48 HG SER -3 HG SER -3 -3.345 15.862 16.672 49 H SER -2 H SER -2 0.518 13.844 14.999 50 HA SER -2 HA SER -2 3.144 14.848 15.491 51 1HB SER -2 1HB SER -2 1.880 13.025 13.650 52 2HB SER -2 2HB SER -2 2.988 14.072 12.768 53 HG SER -2 HG SER -2 4.604 13.119 13.719 54 H GLY -1 H GLY -1 4.423 16.200 13.921 55 1HA GLY -1 1HA GLY -1 2.693 18.257 12.603 56 2HA GLY -1 2HA GLY -1 4.109 18.712 13.554 57 H ASN 0 H ASN 0 5.686 19.356 12.177 58 HA ASN 0 HA ASN 0 6.961 19.490 10.194 59 1HB ASN 0 1HB ASN 0 8.050 17.276 9.663 60 2HB ASN 0 2HB ASN 0 8.174 17.756 11.353 61 1HD2 ASN 0 2HD2 ASN 0 6.016 15.152 12.516 62 2HD2 ASN 0 1HD2 ASN 0 6.652 16.676 12.898 63 H SER 1 H SER 1 4.330 19.661 9.474 64 HA SER 1 HA SER 1 3.447 17.640 7.632 65 1HB SER 1 1HB SER 1 2.592 20.294 8.482 66 2HB SER 1 2HB SER 1 2.373 20.071 6.749 67 HG SER 1 HG SER 1 1.023 18.973 8.835 68 H ALA 2 H ALA 2 4.920 17.089 6.027 69 HA ALA 2 HA ALA 2 6.293 17.357 4.136 70 1HB ALA 2 3HB ALA 2 3.958 18.687 3.629 71 2HB ALA 2 1HB ALA 2 5.132 19.989 3.436 72 3HB ALA 2 2HB ALA 2 5.269 18.525 2.461 73 H SER 3 H SER 3 7.888 17.876 6.010 74 HA SER 3 HA SER 3 9.603 19.218 6.898 75 1HB SER 3 1HB SER 3 10.829 20.526 5.232 76 2HB SER 3 2HB SER 3 10.339 18.988 4.527 77 HG SER 3 HG SER 3 9.860 20.704 3.129 78 H GLY 4 H GLY 4 8.238 20.307 8.428 79 1HA GLY 4 1HA GLY 4 7.389 23.043 7.570 80 2HA GLY 4 2HA GLY 4 6.562 22.112 8.815 81 H VAL 5 H VAL 5 9.460 21.275 9.668 82 HA VAL 5 HA VAL 5 9.708 22.843 11.946 83 HB VAL 5 HB VAL 5 11.377 21.353 12.135 84 1HG1 VAL 5 2HG1 VAL 5 11.579 21.490 9.123 85 2HG1 VAL 5 3HG1 VAL 5 12.675 20.515 10.102 86 3HG1 VAL 5 1HG1 VAL 5 10.946 20.169 10.107 87 1HG2 VAL 5 1HG2 VAL 5 12.568 23.505 12.190 88 2HG2 VAL 5 2HG2 VAL 5 13.599 22.221 11.552 89 3HG2 VAL 5 3HG2 VAL 5 12.860 23.383 10.452 90 H GLN 6 H GLN 6 11.079 24.615 12.473 91 HA GLN 6 HA GLN 6 11.737 26.453 10.238 92 1HB GLN 6 1HB GLN 6 10.392 28.201 11.291 93 2HB GLN 6 2HB GLN 6 9.386 26.771 10.978 94 1HG GLN 6 1HG GLN 6 10.610 26.191 13.355 95 2HG GLN 6 2HG GLN 6 10.198 27.905 13.527 96 1HE2 GLN 6 2HE2 GLN 6 7.170 25.181 12.985 97 2HE2 GLN 6 1HE2 GLN 6 8.722 24.826 12.408 98 H VAL 7 H VAL 7 13.760 25.296 11.900 99 HA VAL 7 HA VAL 7 15.431 25.850 13.452 100 HB VAL 7 HB VAL 7 16.457 27.497 12.388 101 1HG1 VAL 7 1HG1 VAL 7 14.534 27.297 10.753 102 2HG1 VAL 7 2HG1 VAL 7 13.865 28.742 11.512 103 3HG1 VAL 7 3HG1 VAL 7 15.434 28.812 10.713 104 1HG2 VAL 7 3HG2 VAL 7 14.589 29.122 14.090 105 2HG2 VAL 7 1HG2 VAL 7 16.339 28.926 14.215 106 3HG2 VAL 7 2HG2 VAL 7 15.651 29.927 12.939 107 H ALA 8 H ALA 8 15.856 26.894 15.486 108 HA ALA 8 HA ALA 8 13.301 27.184 17.003 109 1HB ALA 8 2HB ALA 8 15.455 25.406 17.128 110 2HB ALA 8 3HB ALA 8 15.729 26.493 18.496 111 3HB ALA 8 1HB ALA 8 14.209 25.598 18.373 112 H ASP 9 H ASP 9 15.738 29.047 15.859 113 HA ASP 9 HA ASP 9 16.430 31.225 16.404 114 1HB ASP 9 1HB ASP 9 14.885 30.854 18.989 115 2HB ASP 9 2HB ASP 9 15.607 32.344 18.400 116 H GLU 10 H GLU 10 16.735 28.390 18.294 117 HA GLU 10 HA GLU 10 18.885 29.320 19.989 118 1HB GLU 10 1HB GLU 10 17.978 27.486 21.021 119 2HB GLU 10 2HB GLU 10 17.343 26.839 19.512 120 1HG GLU 10 1HG GLU 10 19.198 25.590 19.109 121 2HG GLU 10 2HG GLU 10 20.293 26.788 19.806 122 H VAL 11 H VAL 11 18.361 28.033 16.787 123 HA VAL 11 HA VAL 11 21.174 27.380 16.341 124 HB VAL 11 HB VAL 11 20.431 27.551 13.874 125 1HG1 VAL 11 2HG1 VAL 11 19.335 25.516 15.798 126 2HG1 VAL 11 3HG1 VAL 11 19.271 25.329 14.047 127 3HG1 VAL 11 1HG1 VAL 11 20.823 25.426 14.856 128 1HG2 VAL 11 2HG2 VAL 11 18.375 28.891 14.518 129 2HG2 VAL 11 3HG2 VAL 11 18.099 27.539 13.417 130 3HG2 VAL 11 1HG2 VAL 11 17.695 27.378 15.128 131 H CYS 12 H CYS 12 19.156 30.182 16.383 132 HA CYS 12 HA CYS 12 20.921 31.777 14.721 133 1HB CYS 12 1HB CYS 12 18.836 32.823 14.972 134 2HB CYS 12 2HB CYS 12 18.692 32.353 16.665 135 HG CYS 12 HG CYS 12 19.297 34.917 16.554 136 H ARG 13 H ARG 13 21.180 30.286 17.726 137 HA ARG 13 HA ARG 13 23.386 32.113 18.520 138 1HB ARG 13 1HB ARG 13 21.888 30.246 20.370 139 2HB ARG 13 2HB ARG 13 23.180 31.376 20.807 140 1HG ARG 13 1HG ARG 13 20.591 32.292 19.519 141 2HG ARG 13 2HG ARG 13 20.775 32.162 21.268 142 1HD ARG 13 1HD ARG 13 23.006 33.552 20.744 143 2HD ARG 13 2HD ARG 13 22.038 34.080 19.366 144 HE ARG 13 HE ARG 13 21.714 35.111 21.945 145 1HH1 ARG 13 1HH1 ARG 13 19.482 33.380 22.489 146 2HH1 ARG 13 2HH1 ARG 13 18.142 34.140 21.696 147 1HH2 ARG 13 1HH2 ARG 13 20.129 36.142 19.676 148 2HH2 ARG 13 2HH2 ARG 13 18.508 35.705 20.103 149 H ILE 14 H ILE 14 22.567 29.146 17.191 150 HA ILE 14 HA ILE 14 24.867 27.769 18.383 151 HB ILE 14 HB ILE 14 22.936 26.890 16.207 152 1HG1 ILE 14 1HG1 ILE 14 23.070 25.507 18.844 153 2HG1 ILE 14 2HG1 ILE 14 22.242 27.061 18.776 154 1HG2 ILE 14 2HG2 ILE 14 25.472 25.768 17.149 155 2HG2 ILE 14 3HG2 ILE 14 24.138 24.607 17.326 156 3HG2 ILE 14 1HG2 ILE 14 24.496 25.314 15.747 157 1HD1 ILE 14 1HD1 ILE 14 21.515 25.451 16.477 158 2HD1 ILE 14 2HD1 ILE 14 21.213 24.554 17.968 159 3HD1 ILE 14 3HD1 ILE 14 20.467 26.132 17.724 160 H PHE 15 H PHE 15 23.705 28.561 15.134 161 HA PHE 15 HA PHE 15 26.175 28.337 13.750 162 1HB PHE 15 1HB PHE 15 24.803 29.141 12.100 163 2HB PHE 15 2HB PHE 15 23.583 29.512 13.327 164 HD1 PHE 15 HD1 PHE 15 23.392 31.673 14.342 165 HD2 PHE 15 HD2 PHE 15 26.410 30.881 11.391 166 HE1 PHE 15 HE1 PHE 15 23.795 34.101 14.115 167 HE2 PHE 15 HE2 PHE 15 26.815 33.320 11.160 168 HZ PHE 15 HZ PHE 15 25.505 34.931 12.519 169 H TYR 16 H TYR 16 24.866 30.574 16.028 170 HA TYR 16 HA TYR 16 26.889 32.637 15.631 171 1HB TYR 16 1HB TYR 16 24.814 33.565 16.027 172 2HB TYR 16 2HB TYR 16 24.316 32.163 17.014 173 HD1 TYR 16 HD2 TYR 16 25.033 31.922 19.297 174 HD2 TYR 16 HD1 TYR 16 26.077 35.400 17.040 175 HE1 TYR 16 HE2 TYR 16 25.731 33.011 21.348 176 HE2 TYR 16 HE1 TYR 16 26.780 36.531 19.125 177 HH TYR 16 HH TYR 16 27.488 35.066 21.873 178 H ASP 17 H ASP 17 26.184 29.972 17.788 179 HA ASP 17 HA ASP 17 27.482 31.066 20.124 180 1HB ASP 17 1HB ASP 17 26.280 28.517 19.373 181 2HB ASP 17 2HB ASP 17 27.765 28.282 20.292 182 H MET 18 H MET 18 28.538 29.990 17.181 183 HA MET 18 HA MET 18 31.320 29.576 18.064 184 1HB MET 18 1HB MET 18 31.071 28.041 15.899 185 2HB MET 18 2HB MET 18 30.879 27.460 17.535 186 1HG MET 18 1HG MET 18 28.518 28.691 16.132 187 2HG MET 18 2HG MET 18 28.972 27.032 15.779 188 1HE MET 18 3HE MET 18 29.291 25.494 16.885 189 2HE MET 18 1HE MET 18 30.226 26.032 18.275 190 3HE MET 18 2HE MET 18 28.801 25.009 18.513 191 H LYS 19 H LYS 19 29.822 31.914 16.751 192 HA LYS 19 HA LYS 19 30.368 32.263 14.059 193 1HB LYS 19 1HB LYS 19 30.654 34.261 16.316 194 2HB LYS 19 2HB LYS 19 30.697 34.702 14.609 195 1HG LYS 19 1HG LYS 19 28.417 33.416 16.113 196 2HG LYS 19 2HG LYS 19 28.440 35.022 15.383 197 1HD LYS 19 1HD LYS 19 28.519 32.357 13.947 198 2HD LYS 19 2HD LYS 19 27.251 33.577 13.867 199 1HE LYS 19 1HE LYS 19 30.101 33.925 12.899 200 2HE LYS 19 2HE LYS 19 28.688 33.691 11.871 201 1HZ LYS 19 3HZ LYS 19 27.761 35.727 13.027 202 2HZ LYS 19 1HZ LYS 19 29.338 36.004 13.596 203 3HZ LYS 19 2HZ LYS 19 29.030 35.986 11.927 204 H VAL 20 H VAL 20 32.498 34.196 16.034 205 HA VAL 20 HA VAL 20 34.826 32.901 14.715 206 HB VAL 20 HB VAL 20 34.306 34.981 13.600 207 1HG1 VAL 20 1HG1 VAL 20 33.631 35.841 16.243 208 2HG1 VAL 20 2HG1 VAL 20 34.847 36.935 15.585 209 3HG1 VAL 20 3HG1 VAL 20 33.340 36.663 14.711 210 1HG2 VAL 20 1HG2 VAL 20 36.774 34.383 14.819 211 2HG2 VAL 20 2HG2 VAL 20 36.502 35.428 13.425 212 3HG2 VAL 20 3HG2 VAL 20 36.537 36.115 15.050 213 H ARG 21 H ARG 21 35.742 35.518 16.641 214 HA ARG 21 HA ARG 21 36.751 33.661 18.683 215 1HB ARG 21 1HB ARG 21 37.271 36.583 18.097 216 2HB ARG 21 2HB ARG 21 37.928 35.766 19.515 217 1HG ARG 21 1HG ARG 21 38.357 34.225 17.073 218 2HG ARG 21 2HG ARG 21 39.091 35.828 16.985 219 1HD ARG 21 1HD ARG 21 40.103 35.391 19.257 220 2HD ARG 21 2HD ARG 21 39.529 33.730 19.123 221 HE ARG 21 HE ARG 21 41.254 33.312 17.561 222 1HH1 ARG 21 1HH1 ARG 21 41.662 36.343 18.921 223 2HH1 ARG 21 2HH1 ARG 21 42.658 36.977 17.653 224 1HH2 ARG 21 1HH2 ARG 21 42.170 34.264 15.548 225 2HH2 ARG 21 2HH2 ARG 21 42.947 35.800 15.744 226 H LYS 22 H LYS 22 33.966 33.930 18.861 227 HA LYS 22 HA LYS 22 33.310 35.982 20.833 228 1HB LYS 22 1HB LYS 22 31.802 33.599 19.739 229 2HB LYS 22 2HB LYS 22 31.135 34.665 20.979 230 1HG LYS 22 1HG LYS 22 31.738 36.595 19.377 231 2HG LYS 22 2HG LYS 22 31.902 35.346 18.143 232 1HD LYS 22 1HD LYS 22 29.622 34.716 18.323 233 2HD LYS 22 2HD LYS 22 29.425 35.567 19.856 234 1HE LYS 22 1HE LYS 22 30.078 36.965 17.251 235 2HE LYS 22 2HE LYS 22 28.435 36.770 17.865 236 1HZ LYS 22 1HZ LYS 22 29.304 37.818 19.975 237 2HZ LYS 22 2HZ LYS 22 30.681 38.263 19.083 238 3HZ LYS 22 3HZ LYS 22 29.150 38.847 18.635 239 H CYS 23 H CYS 23 34.813 35.530 22.532 240 HA CYS 23 HA CYS 23 33.880 33.446 24.387 241 1HB CYS 23 1HB CYS 23 36.745 33.225 24.282 242 2HB CYS 23 2HB CYS 23 35.524 31.958 24.139 243 HG CYS 23 HG CYS 23 35.630 32.131 21.609 244 H SER 24 H SER 24 33.694 34.602 26.255 245 HA SER 24 HA SER 24 34.778 37.048 27.015 246 1HB SER 24 1HB SER 24 33.575 34.853 28.321 247 2HB SER 24 2HB SER 24 35.098 35.117 29.176 248 HG SER 24 HG SER 24 33.023 36.386 29.725 249 H THR 25 H THR 25 35.984 34.027 27.937 250 HA THR 25 HA THR 25 38.744 34.582 27.125 251 HB THR 25 HB THR 25 38.262 35.020 29.720 252 HG1 THR 25 HG1 THR 25 40.321 33.345 28.720 253 1HG2 THR 25 1HG2 THR 25 37.027 32.923 29.949 254 2HG2 THR 25 2HG2 THR 25 38.483 32.032 29.481 255 3HG2 THR 25 3HG2 THR 25 38.455 32.944 30.998 256 HA PRO 26 HA PRO 26 36.892 31.017 25.415 257 1HB PRO 26 1HB PRO 26 39.048 30.269 23.832 258 2HB PRO 26 2HB PRO 26 37.864 31.523 23.420 259 1HG PRO 26 1HG PRO 26 40.659 31.831 24.453 260 2HG PRO 26 2HG PRO 26 39.724 32.912 23.402 261 1HD PRO 26 1HD PRO 26 40.120 33.320 26.156 262 2HD PRO 26 2HD PRO 26 38.819 34.055 25.194 263 H GLU 27 H GLU 27 39.485 30.885 27.573 264 HA GLU 27 HA GLU 27 40.120 28.041 27.338 265 1HB GLU 27 1HB GLU 27 40.715 30.229 29.292 266 2HB GLU 27 2HB GLU 27 41.083 28.556 29.709 267 1HG GLU 27 1HG GLU 27 41.952 29.432 27.007 268 2HG GLU 27 2HG GLU 27 42.819 30.157 28.360 269 H GLU 28 H GLU 28 37.397 29.552 28.292 270 HA GLU 28 HA GLU 28 36.585 27.318 30.059 271 1HB GLU 28 1HB GLU 28 35.157 29.628 30.854 272 2HB GLU 28 2HB GLU 28 36.360 28.760 31.809 273 1HG GLU 28 1HG GLU 28 37.125 30.802 29.719 274 2HG GLU 28 2HG GLU 28 36.816 31.249 31.396 275 H ILE 29 H ILE 29 35.925 29.890 27.925 276 HA ILE 29 HA ILE 29 33.347 29.881 27.246 277 HB ILE 29 HB ILE 29 35.891 30.397 26.244 278 1HG1 ILE 29 1HG1 ILE 29 34.777 32.404 25.603 279 2HG1 ILE 29 2HG1 ILE 29 33.198 31.642 25.695 280 1HG2 ILE 29 2HG2 ILE 29 33.783 29.380 24.423 281 2HG2 ILE 29 3HG2 ILE 29 35.133 30.347 23.852 282 3HG2 ILE 29 1HG2 ILE 29 35.422 28.794 24.638 283 1HD1 ILE 29 2HD1 ILE 29 35.025 31.564 28.032 284 2HD1 ILE 29 3HD1 ILE 29 34.184 33.075 27.691 285 3HD1 ILE 29 1HD1 ILE 29 33.259 31.604 28.008 286 H LYS 30 H LYS 30 35.816 27.577 26.326 287 HA LYS 30 HA LYS 30 34.447 26.098 24.408 288 1HB LYS 30 1HB LYS 30 35.654 24.087 25.730 289 2HB LYS 30 2HB LYS 30 36.562 25.205 24.711 290 1HG LYS 30 1HG LYS 30 37.569 26.205 26.503 291 2HG LYS 30 2HG LYS 30 36.123 26.089 27.505 292 1HD LYS 30 1HD LYS 30 37.257 23.466 26.875 293 2HD LYS 30 2HD LYS 30 38.384 24.498 27.755 294 1HE LYS 30 1HE LYS 30 35.610 24.550 28.753 295 2HE LYS 30 2HE LYS 30 36.431 23.002 28.941 296 1HZ LYS 30 1HZ LYS 30 37.953 25.378 29.643 297 2HZ LYS 30 2HZ LYS 30 36.664 24.982 30.677 298 3HZ LYS 30 3HZ LYS 30 37.902 23.856 30.398 299 H LYS 31 H LYS 31 34.296 26.026 27.861 300 HA LYS 31 HA LYS 31 32.123 23.995 27.843 301 1HB LYS 31 1HB LYS 31 34.097 24.664 29.732 302 2HB LYS 31 2HB LYS 31 32.570 25.175 30.447 303 1HG LYS 31 1HG LYS 31 31.605 22.987 30.142 304 2HG LYS 31 2HG LYS 31 32.987 22.454 29.187 305 1HD LYS 31 1HD LYS 31 33.132 23.294 32.097 306 2HD LYS 31 2HD LYS 31 33.070 21.622 31.538 307 1HE LYS 31 1HE LYS 31 35.134 22.053 30.184 308 2HE LYS 31 2HE LYS 31 35.223 23.658 30.909 309 1HZ LYS 31 2HZ LYS 31 34.940 21.414 32.740 310 2HZ LYS 31 3HZ LYS 31 36.433 21.553 31.943 311 3HZ LYS 31 1HZ LYS 31 35.854 22.834 32.897 312 H ARG 32 H ARG 32 31.655 26.550 26.655 313 HA ARG 32 HA ARG 32 29.501 27.588 28.419 314 1HB ARG 32 1HB ARG 32 31.298 28.936 26.410 315 2HB ARG 32 2HB ARG 32 29.709 29.603 26.749 316 1HG ARG 32 1HG ARG 32 31.329 30.704 28.195 317 2HG ARG 32 2HG ARG 32 30.301 29.673 29.187 318 1HD ARG 32 1HD ARG 32 32.498 28.087 28.301 319 2HD ARG 32 2HD ARG 32 33.170 29.599 28.920 320 HE ARG 32 HE ARG 32 31.568 27.665 30.514 321 1HH1 ARG 32 1HH2 ARG 32 31.242 30.712 31.026 322 2HH1 ARG 32 2HH2 ARG 32 32.353 30.926 32.337 323 1HH2 ARG 32 1HH1 ARG 32 33.919 27.869 31.860 324 2HH2 ARG 32 2HH1 ARG 32 33.868 29.317 32.810 325 H LYS 33 H LYS 33 30.072 25.519 26.057 326 HA LYS 33 HA LYS 33 28.541 24.428 24.620 327 1HB LYS 33 1HB LYS 33 26.753 25.722 26.049 328 2HB LYS 33 2HB LYS 33 26.710 26.811 24.659 329 1HG LYS 33 1HG LYS 33 26.214 24.939 23.166 330 2HG LYS 33 2HG LYS 33 26.331 23.807 24.514 331 1HD LYS 33 1HD LYS 33 24.276 24.366 25.335 332 2HD LYS 33 2HD LYS 33 24.469 26.071 24.923 333 1HE LYS 33 1HE LYS 33 24.276 24.232 22.613 334 2HE LYS 33 2HE LYS 33 22.811 24.378 23.585 335 1HZ LYS 33 1HZ LYS 33 24.164 26.871 23.009 336 2HZ LYS 33 2HZ LYS 33 23.503 26.089 21.654 337 3HZ LYS 33 3HZ LYS 33 22.508 26.496 22.965 338 H LYS 34 H LYS 34 29.670 24.481 22.707 339 HA LYS 34 HA LYS 34 29.067 26.554 20.802 340 1HB LYS 34 1HB LYS 34 31.743 26.945 20.628 341 2HB LYS 34 2HB LYS 34 30.649 28.005 21.503 342 1HG LYS 34 1HG LYS 34 31.057 26.401 23.509 343 2HG LYS 34 2HG LYS 34 32.461 25.883 22.605 344 1HD LYS 34 1HD LYS 34 33.366 27.635 23.825 345 2HD LYS 34 2HD LYS 34 32.876 28.474 22.352 346 1HE LYS 34 1HE LYS 34 30.812 28.210 24.475 347 2HE LYS 34 2HE LYS 34 32.144 29.312 24.811 348 1HZ LYS 34 3HZ LYS 34 31.649 30.132 22.415 349 2HZ LYS 34 1HZ LYS 34 30.122 29.437 22.681 350 3HZ LYS 34 2HZ LYS 34 30.682 30.667 23.704 351 H ALA 35 H ALA 35 28.785 23.901 20.837 352 HA ALA 35 HA ALA 35 29.803 23.115 18.299 353 1HB ALA 35 3HB ALA 35 30.949 21.888 20.771 354 2HB ALA 35 1HB ALA 35 30.630 20.837 19.395 355 3HB ALA 35 2HB ALA 35 31.738 22.205 19.249 356 H VAL 36 H VAL 36 28.022 21.858 17.462 357 HA VAL 36 HA VAL 36 26.301 20.575 19.505 358 HB VAL 36 HB VAL 36 24.545 22.300 18.408 359 1HG1 VAL 36 3HG1 VAL 36 24.737 21.736 20.807 360 2HG1 VAL 36 1HG1 VAL 36 26.101 22.851 20.932 361 3HG1 VAL 36 2HG1 VAL 36 24.499 23.456 20.531 362 1HG2 VAL 36 2HG2 VAL 36 26.299 23.585 17.278 363 2HG2 VAL 36 3HG2 VAL 36 25.547 24.551 18.553 364 3HG2 VAL 36 1HG2 VAL 36 27.118 23.824 18.826 365 H ILE 37 H ILE 37 25.188 18.957 18.592 366 HA ILE 37 HA ILE 37 24.312 19.229 15.769 367 HB ILE 37 HB ILE 37 24.138 16.540 16.574 368 1HG1 ILE 37 1HG1 ILE 37 26.713 17.925 17.438 369 2HG1 ILE 37 2HG1 ILE 37 25.582 17.104 18.502 370 1HG2 ILE 37 2HG2 ILE 37 24.736 17.840 14.430 371 2HG2 ILE 37 3HG2 ILE 37 26.384 17.904 15.128 372 3HG2 ILE 37 1HG2 ILE 37 25.644 16.334 14.746 373 1HD1 ILE 37 1HD1 ILE 37 26.993 15.723 16.241 374 2HD1 ILE 37 2HD1 ILE 37 27.655 15.811 17.870 375 3HD1 ILE 37 3HD1 ILE 37 26.131 14.976 17.589 376 H PHE 38 H PHE 38 22.121 19.605 15.705 377 HA PHE 38 HA PHE 38 20.588 18.562 18.048 378 1HB PHE 38 1HB PHE 38 19.024 20.571 17.208 379 2HB PHE 38 2HB PHE 38 20.310 20.767 18.395 380 HD1 PHE 38 HD2 PHE 38 22.596 21.630 17.693 381 HD2 PHE 38 HD1 PHE 38 19.183 21.644 15.052 382 HE1 PHE 38 HE2 PHE 38 23.745 23.217 16.193 383 HE2 PHE 38 HE1 PHE 38 20.359 23.244 13.569 384 HZ PHE 38 HZ PHE 38 22.629 24.030 14.140 385 H CYS 39 H CYS 39 18.068 18.948 17.403 386 HA CYS 39 HA CYS 39 17.675 17.676 14.750 387 1HB CYS 39 1HB CYS 39 15.751 16.485 16.351 388 2HB CYS 39 2HB CYS 39 17.237 15.721 15.784 389 HG CYS 39 HG CYS 39 16.692 16.611 18.647 390 H LEU 40 H LEU 40 15.275 18.177 17.305 391 HA LEU 40 HA LEU 40 14.257 20.586 15.979 392 1HB LEU 40 1HB LEU 40 12.762 17.960 15.830 393 2HB LEU 40 2HB LEU 40 12.044 19.524 15.450 394 HG LEU 40 HG LEU 40 14.442 18.296 14.061 395 1HD1 LEU 40 2HD1 LEU 40 11.571 18.688 13.202 396 2HD1 LEU 40 3HD1 LEU 40 12.877 18.212 12.117 397 3HD1 LEU 40 1HD1 LEU 40 12.405 17.153 13.445 398 1HD2 LEU 40 2HD2 LEU 40 13.827 20.983 14.350 399 2HD2 LEU 40 3HD2 LEU 40 14.780 20.297 13.034 400 3HD2 LEU 40 1HD2 LEU 40 13.051 20.569 12.821 401 H SER 41 H SER 41 12.242 21.376 16.974 402 HA SER 41 HA SER 41 12.366 21.455 19.809 403 1HB SER 41 1HB SER 41 10.173 22.682 19.564 404 2HB SER 41 2HB SER 41 11.503 23.342 18.617 405 HG SER 41 HG SER 41 9.174 22.103 17.816 406 H ALA 42 H ALA 42 9.939 21.166 20.916 407 HA ALA 42 HA ALA 42 9.480 18.292 20.898 408 1HB ALA 42 3HB ALA 42 8.011 20.593 22.225 409 2HB ALA 42 1HB ALA 42 7.539 18.905 22.426 410 3HB ALA 42 2HB ALA 42 9.120 19.453 22.986 411 H ASP 43 H ASP 43 7.695 17.203 19.972 412 HA ASP 43 HA ASP 43 5.733 16.950 18.656 413 1HB ASP 43 1HB ASP 43 5.200 19.365 19.552 414 2HB ASP 43 2HB ASP 43 5.746 19.872 17.953 415 H LYS 44 H LYS 44 8.635 18.552 17.769 416 HA LYS 44 HA LYS 44 9.959 18.181 15.889 417 1HB LYS 44 1HB LYS 44 8.023 16.184 15.606 418 2HB LYS 44 2HB LYS 44 7.990 17.057 14.074 419 1HG LYS 44 1HG LYS 44 9.649 15.280 13.935 420 2HG LYS 44 2HG LYS 44 10.477 16.838 13.947 421 1HD LYS 44 1HD LYS 44 11.676 16.082 15.699 422 2HD LYS 44 2HD LYS 44 10.192 16.159 16.652 423 1HE LYS 44 1HE LYS 44 10.162 13.786 15.017 424 2HE LYS 44 2HE LYS 44 11.662 13.842 15.944 425 1HZ LYS 44 2HZ LYS 44 9.474 14.646 17.548 426 2HZ LYS 44 3HZ LYS 44 9.156 13.128 16.858 427 3HZ LYS 44 1HZ LYS 44 10.558 13.358 17.784 428 H LYS 45 H LYS 45 10.242 20.205 15.402 429 HA LYS 45 HA LYS 45 9.055 21.313 13.043 430 1HB LYS 45 1HB LYS 45 8.303 22.113 15.832 431 2HB LYS 45 2HB LYS 45 8.336 23.356 14.573 432 1HG LYS 45 1HG LYS 45 6.895 21.592 13.244 433 2HG LYS 45 2HG LYS 45 6.537 20.989 14.863 434 1HD LYS 45 1HD LYS 45 5.405 22.900 15.487 435 2HD LYS 45 2HD LYS 45 6.350 23.935 14.417 436 1HE LYS 45 1HE LYS 45 5.042 23.457 12.569 437 2HE LYS 45 2HE LYS 45 4.567 21.874 13.183 438 1HZ LYS 45 3HZ LYS 45 3.653 23.828 14.966 439 2HZ LYS 45 1HZ LYS 45 3.191 24.299 13.405 440 3HZ LYS 45 2HZ LYS 45 2.736 22.774 14.000 441 H CYS 46 H CYS 46 9.822 23.940 14.572 442 HA CYS 46 HA CYS 46 12.093 24.938 13.831 443 1HB CYS 46 1HB CYS 46 11.610 24.400 16.783 444 2HB CYS 46 2HB CYS 46 12.786 25.561 16.146 445 HG CYS 46 HG CYS 46 10.924 27.161 15.591 446 H ILE 47 H ILE 47 14.229 24.571 13.759 447 HA ILE 47 HA ILE 47 15.391 22.035 14.247 448 HB ILE 47 HB ILE 47 16.215 24.287 13.013 449 1HG1 ILE 47 1HG1 ILE 47 18.587 23.077 13.964 450 2HG1 ILE 47 2HG1 ILE 47 17.368 21.800 13.853 451 1HG2 ILE 47 1HG2 ILE 47 16.395 25.179 15.518 452 2HG2 ILE 47 2HG2 ILE 47 17.969 24.352 15.419 453 3HG2 ILE 47 3HG2 ILE 47 17.570 25.637 14.271 454 1HD1 ILE 47 2HD1 ILE 47 16.759 22.805 11.588 455 2HD1 ILE 47 3HD1 ILE 47 18.278 23.715 11.699 456 3HD1 ILE 47 1HD1 ILE 47 18.310 21.927 11.707 457 H ILE 48 H ILE 48 17.484 22.459 16.161 458 HA ILE 48 HA ILE 48 16.484 23.854 18.475 459 HB ILE 48 HB ILE 48 14.899 21.807 17.831 460 1HG1 ILE 48 1HG1 ILE 48 15.717 23.015 20.387 461 2HG1 ILE 48 2HG1 ILE 48 14.105 22.791 19.705 462 1HG2 ILE 48 2HG2 ILE 48 17.087 20.364 18.019 463 2HG2 ILE 48 3HG2 ILE 48 16.697 20.353 19.733 464 3HG2 ILE 48 1HG2 ILE 48 15.539 19.726 18.563 465 1HD1 ILE 48 1HD1 ILE 48 14.465 20.282 20.180 466 2HD1 ILE 48 2HD1 ILE 48 15.788 20.800 21.218 467 3HD1 ILE 48 3HD1 ILE 48 14.136 21.321 21.566 468 H VAL 49 H VAL 49 17.247 21.964 20.399 469 HA VAL 49 HA VAL 49 19.840 20.801 19.929 470 HB VAL 49 HB VAL 49 19.796 23.125 21.856 471 1HG1 VAL 49 3HG1 VAL 49 21.340 20.764 21.714 472 2HG1 VAL 49 1HG1 VAL 49 22.361 22.018 21.006 473 3HG1 VAL 49 2HG1 VAL 49 21.727 22.216 22.640 474 1HG2 VAL 49 3HG2 VAL 49 21.133 22.797 19.150 475 2HG2 VAL 49 1HG2 VAL 49 19.768 23.860 19.496 476 3HG2 VAL 49 2HG2 VAL 49 21.340 24.175 20.234 477 H GLU 50 H GLU 50 17.984 19.331 20.610 478 HA GLU 50 HA GLU 50 18.219 18.924 23.549 479 1HB GLU 50 1HB GLU 50 15.711 19.057 21.890 480 2HB GLU 50 2HB GLU 50 15.768 18.002 23.304 481 1HG GLU 50 1HG GLU 50 16.328 19.867 24.749 482 2HG GLU 50 2HG GLU 50 16.479 20.948 23.363 483 H GLU 51 H GLU 51 19.908 17.564 22.436 484 HA GLU 51 HA GLU 51 18.782 14.915 21.772 485 1HB GLU 51 1HB GLU 51 21.444 15.336 20.771 486 2HB GLU 51 2HB GLU 51 20.020 14.814 19.885 487 1HG GLU 51 1HG GLU 51 20.713 16.856 18.875 488 2HG GLU 51 2HG GLU 51 19.319 17.270 19.864 489 H GLY 52 H GLY 52 21.410 16.747 22.987 490 1HA GLY 52 1HA GLY 52 22.421 16.270 25.168 491 2HA GLY 52 2HA GLY 52 22.080 14.558 24.883 492 H LYS 53 H LYS 53 23.297 16.556 22.239 493 HA LYS 53 HA LYS 53 25.874 15.050 22.584 494 1HB LYS 53 1HB LYS 53 26.076 15.579 20.013 495 2HB LYS 53 2HB LYS 53 25.088 14.243 20.564 496 1HG LYS 53 1HG LYS 53 23.140 15.928 20.581 497 2HG LYS 53 2HG LYS 53 24.174 16.958 19.600 498 1HD LYS 53 1HD LYS 53 22.638 15.473 18.257 499 2HD LYS 53 2HD LYS 53 24.342 15.200 17.892 500 1HE LYS 53 1HE LYS 53 24.303 13.122 18.757 501 2HE LYS 53 2HE LYS 53 23.403 13.642 20.173 502 1HZ LYS 53 3HZ LYS 53 22.217 13.150 17.491 503 2HZ LYS 53 1HZ LYS 53 22.123 12.086 18.808 504 3HZ LYS 53 2HZ LYS 53 21.371 13.606 18.892 505 H GLU 54 H GLU 54 26.392 17.218 20.159 506 HA GLU 54 HA GLU 54 27.416 19.339 20.106 507 1HB GLU 54 1HB GLU 54 26.142 20.739 21.313 508 2HB GLU 54 2HB GLU 54 25.656 19.466 22.418 509 1HG GLU 54 1HG GLU 54 28.416 20.709 22.661 510 2HG GLU 54 2HG GLU 54 27.006 21.514 23.347 511 H ILE 55 H ILE 55 29.441 20.055 20.606 512 HA ILE 55 HA ILE 55 30.947 18.537 22.674 513 HB ILE 55 HB ILE 55 31.411 19.092 19.908 514 1HG1 ILE 55 1HG1 ILE 55 33.156 17.679 21.903 515 2HG1 ILE 55 2HG1 ILE 55 31.686 16.968 21.199 516 1HG2 ILE 55 3HG2 ILE 55 33.566 19.989 21.810 517 2HG2 ILE 55 1HG2 ILE 55 33.791 19.626 20.107 518 3HG2 ILE 55 2HG2 ILE 55 32.769 20.983 20.581 519 1HD1 ILE 55 2HD1 ILE 55 32.953 18.176 19.094 520 2HD1 ILE 55 3HD1 ILE 55 34.261 17.406 19.987 521 3HD1 ILE 55 1HD1 ILE 55 32.890 16.455 19.426 522 H LEU 56 H LEU 56 32.858 20.195 23.425 523 HA LEU 56 HA LEU 56 31.469 22.775 23.970 524 1HB LEU 56 1HB LEU 56 33.694 21.498 25.597 525 2HB LEU 56 2HB LEU 56 32.711 22.885 26.053 526 HG LEU 56 HG LEU 56 31.792 21.011 27.204 527 1HD1 LEU 56 3HD1 LEU 56 30.178 22.562 26.179 528 2HD1 LEU 56 1HD1 LEU 56 30.161 21.576 24.713 529 3HD1 LEU 56 2HD1 LEU 56 29.529 20.919 26.226 530 1HD2 LEU 56 3HD2 LEU 56 32.833 19.508 25.158 531 2HD2 LEU 56 1HD2 LEU 56 31.698 18.891 26.363 532 3HD2 LEU 56 2HD2 LEU 56 31.111 19.444 24.794 533 H VAL 57 H VAL 57 33.678 21.706 21.903 534 HA VAL 57 HA VAL 57 35.250 22.645 20.582 535 HB VAL 57 HB VAL 57 35.312 24.863 20.280 536 1HG1 VAL 57 3HG1 VAL 57 32.704 24.345 21.679 537 2HG1 VAL 57 1HG1 VAL 57 33.017 25.736 20.648 538 3HG1 VAL 57 2HG1 VAL 57 33.060 24.116 19.969 539 1HG2 VAL 57 1HG2 VAL 57 35.501 25.096 23.140 540 2HG2 VAL 57 2HG2 VAL 57 35.934 26.271 21.915 541 3HG2 VAL 57 3HG2 VAL 57 34.288 26.211 22.535 542 H GLY 58 H GLY 58 35.664 23.509 24.007 543 1HA GLY 58 1HA GLY 58 38.589 23.402 23.667 544 2HA GLY 58 2HA GLY 58 37.747 23.799 25.166 545 H ASP 59 H ASP 59 35.879 21.587 25.076 546 HA ASP 59 HA ASP 59 37.231 19.547 26.456 547 1HB ASP 59 1HB ASP 59 34.672 19.768 25.029 548 2HB ASP 59 2HB ASP 59 35.364 18.144 24.929 549 H VAL 60 H VAL 60 36.995 20.315 23.089 550 HA VAL 60 HA VAL 60 38.101 17.947 21.954 551 HB VAL 60 HB VAL 60 38.089 20.851 21.086 552 1HG1 VAL 60 1HG1 VAL 60 39.874 19.113 20.128 553 2HG1 VAL 60 2HG1 VAL 60 38.489 18.627 19.150 554 3HG1 VAL 60 3HG1 VAL 60 39.071 20.291 19.090 555 1HG2 VAL 60 1HG2 VAL 60 36.396 18.427 20.428 556 2HG2 VAL 60 2HG2 VAL 60 35.868 19.934 21.175 557 3HG2 VAL 60 3HG2 VAL 60 36.349 19.912 19.479 558 H GLY 61 H GLY 61 39.865 17.216 23.013 559 1HA GLY 61 1HA GLY 61 42.407 17.436 22.707 560 2HA GLY 61 2HA GLY 61 42.186 19.051 23.397 561 H VAL 62 H VAL 62 40.094 18.334 25.126 562 HA VAL 62 HA VAL 62 41.558 17.305 27.423 563 HB VAL 62 HB VAL 62 38.813 18.319 26.829 564 1HG1 VAL 62 1HG1 VAL 62 39.439 16.215 28.841 565 2HG1 VAL 62 2HG1 VAL 62 38.372 17.526 29.347 566 3HG1 VAL 62 3HG1 VAL 62 37.946 16.526 27.957 567 1HG2 VAL 62 1HG2 VAL 62 40.815 18.735 29.077 568 2HG2 VAL 62 2HG2 VAL 62 40.526 19.822 27.719 569 3HG2 VAL 62 3HG2 VAL 62 39.275 19.585 28.939 570 H THR 63 H THR 63 38.411 16.185 26.207 571 HA THR 63 HA THR 63 39.248 13.378 26.676 572 HB THR 63 HB THR 63 36.513 13.953 25.703 573 HG1 THR 63 HG1 THR 63 36.724 14.498 28.359 574 1HG2 THR 63 1HG2 THR 63 37.358 11.761 26.560 575 2HG2 THR 63 2HG2 THR 63 37.556 12.507 28.145 576 3HG2 THR 63 3HG2 THR 63 35.948 12.354 27.438 577 H ILE 64 H ILE 64 38.506 15.740 24.251 578 HA ILE 64 HA ILE 64 38.624 13.638 22.125 579 HB ILE 64 HB ILE 64 38.012 16.197 21.019 580 1HG1 ILE 64 1HG1 ILE 64 36.551 15.493 23.580 581 2HG1 ILE 64 2HG1 ILE 64 37.330 17.015 23.185 582 1HG2 ILE 64 1HG2 ILE 64 37.206 13.606 20.748 583 2HG2 ILE 64 2HG2 ILE 64 35.842 14.276 21.654 584 3HG2 ILE 64 3HG2 ILE 64 36.297 14.970 20.094 585 1HD1 ILE 64 3HD1 ILE 64 35.489 16.519 21.103 586 2HD1 ILE 64 1HD1 ILE 64 34.639 16.171 22.609 587 3HD1 ILE 64 2HD1 ILE 64 35.371 17.754 22.356 588 H THR 65 H THR 65 39.656 15.463 20.013 589 HA THR 65 HA THR 65 42.143 16.497 21.195 590 HB THR 65 HB THR 65 43.272 14.884 19.290 591 HG1 THR 65 HG1 THR 65 41.399 13.681 19.049 592 1HG2 THR 65 3HG2 THR 65 43.733 15.461 21.820 593 2HG2 THR 65 1HG2 THR 65 42.919 13.925 22.107 594 3HG2 THR 65 2HG2 THR 65 44.382 13.976 21.121 595 H ASP 66 H ASP 66 39.943 17.449 19.297 596 HA ASP 66 HA ASP 66 40.182 19.351 17.868 597 1HB ASP 66 1HB ASP 66 42.722 19.046 18.485 598 2HB ASP 66 2HB ASP 66 42.808 18.480 16.813 599 HA PRO 67 HA PRO 67 40.291 16.565 14.005 600 1HB PRO 67 1HB PRO 67 39.082 14.127 14.425 601 2HB PRO 67 2HB PRO 67 40.831 14.368 14.515 602 1HG PRO 67 1HG PRO 67 38.869 14.058 16.755 603 2HG PRO 67 2HG PRO 67 40.570 13.566 16.673 604 1HD PRO 67 1HD PRO 67 39.636 15.862 17.991 605 2HD PRO 67 2HD PRO 67 41.309 15.580 17.457 606 H PHE 68 H PHE 68 37.582 14.731 15.008 607 HA PHE 68 HA PHE 68 35.570 16.698 15.399 608 1HB PHE 68 1HB PHE 68 34.718 17.114 13.245 609 2HB PHE 68 2HB PHE 68 36.464 17.109 12.935 610 HD1 PHE 68 HD1 PHE 68 37.589 14.967 12.308 611 HD2 PHE 68 HD2 PHE 68 33.330 15.428 12.300 612 HE1 PHE 68 HE1 PHE 68 37.372 12.898 10.996 613 HE2 PHE 68 HE2 PHE 68 33.118 13.350 10.973 614 HZ PHE 68 HZ PHE 68 35.130 12.076 10.332 615 H LYS 69 H LYS 69 36.572 13.623 14.039 616 HA LYS 69 HA LYS 69 34.185 12.207 13.767 617 1HB LYS 69 1HB LYS 69 35.670 10.205 14.549 618 2HB LYS 69 2HB LYS 69 36.083 11.057 13.062 619 1HG LYS 69 1HG LYS 69 37.978 11.916 13.926 620 2HG LYS 69 2HG LYS 69 37.197 12.311 15.451 621 1HD LYS 69 1HD LYS 69 38.344 9.641 14.608 622 2HD LYS 69 2HD LYS 69 38.870 10.662 15.946 623 1HE LYS 69 1HE LYS 69 37.454 9.547 17.290 624 2HE LYS 69 2HE LYS 69 36.111 10.207 16.351 625 1HZ LYS 69 3HZ LYS 69 37.583 7.880 15.323 626 2HZ LYS 69 1HZ LYS 69 36.429 7.651 16.549 627 3HZ LYS 69 2HZ LYS 69 35.969 8.335 15.064 628 H HIS 70 H HIS 70 36.024 12.725 16.828 629 HA HIS 70 HA HIS 70 34.436 11.057 18.449 630 1HB HIS 70 1HB HIS 70 35.871 12.044 19.889 631 2HB HIS 70 2HB HIS 70 35.965 13.519 18.912 632 HD1 HIS 70 HD1 HIS 70 33.491 11.759 21.213 633 HD2 HIS 70 HD2 HIS 70 34.366 15.564 19.809 634 HE1 HIS 70 HE1 HIS 70 31.930 13.351 22.390 635 H PHE 71 H PHE 71 33.897 14.419 17.460 636 HA PHE 71 HA PHE 71 31.398 14.798 18.679 637 1HB PHE 71 1HB PHE 71 32.288 16.804 17.890 638 2HB PHE 71 2HB PHE 71 32.952 16.054 16.457 639 HD1 PHE 71 HD1 PHE 71 31.320 15.417 14.576 640 HD2 PHE 71 HD2 PHE 71 30.293 17.993 17.861 641 HE1 PHE 71 HE1 PHE 71 29.441 16.354 13.253 642 HE2 PHE 71 HE2 PHE 71 28.422 18.933 16.537 643 HZ PHE 71 HZ PHE 71 27.994 18.116 14.231 644 H VAL 72 H VAL 72 32.265 13.256 15.606 645 HA VAL 72 HA VAL 72 29.608 13.090 14.561 646 HB VAL 72 HB VAL 72 30.466 11.544 13.039 647 1HG1 VAL 72 1HG1 VAL 72 32.571 13.461 13.871 648 2HG1 VAL 72 2HG1 VAL 72 32.830 12.350 12.532 649 3HG1 VAL 72 3HG1 VAL 72 31.512 13.515 12.464 650 1HG2 VAL 72 2HG2 VAL 72 31.813 10.379 15.203 651 2HG2 VAL 72 3HG2 VAL 72 31.689 9.767 13.564 652 3HG2 VAL 72 1HG2 VAL 72 33.033 10.807 14.016 653 H GLY 73 H GLY 73 31.427 11.342 16.851 654 1HA GLY 73 1HA GLY 73 29.771 9.016 17.119 655 2HA GLY 73 2HA GLY 73 30.895 9.607 18.349 656 H MET 74 H MET 74 29.707 12.280 18.432 657 HA MET 74 HA MET 74 27.671 11.836 20.414 658 1HB MET 74 1HB MET 74 28.298 14.329 18.818 659 2HB MET 74 2HB MET 74 27.314 14.265 20.280 660 1HG MET 74 1HG MET 74 29.309 13.277 21.474 661 2HG MET 74 2HG MET 74 30.262 13.637 20.033 662 1HE MET 74 3HE MET 74 29.695 15.685 18.771 663 2HE MET 74 1HE MET 74 29.617 17.319 19.459 664 3HE MET 74 2HE MET 74 31.138 16.401 19.502 665 H LEU 75 H LEU 75 27.537 13.164 17.159 666 HA LEU 75 HA LEU 75 24.662 12.849 16.990 667 1HB LEU 75 1HB LEU 75 25.025 13.324 14.585 668 2HB LEU 75 2HB LEU 75 25.737 14.534 15.636 669 HG LEU 75 HG LEU 75 27.800 12.793 15.434 670 1HD1 LEU 75 2HD1 LEU 75 26.026 11.711 13.736 671 2HD1 LEU 75 3HD1 LEU 75 26.864 12.807 12.618 672 3HD1 LEU 75 1HD1 LEU 75 27.776 11.578 13.507 673 1HD2 LEU 75 1HD2 LEU 75 26.957 15.178 13.801 674 2HD2 LEU 75 2HD2 LEU 75 28.223 15.060 15.028 675 3HD2 LEU 75 3HD2 LEU 75 28.472 14.352 13.427 676 HA PRO 76 HA PRO 76 25.143 8.469 16.218 677 1HB PRO 76 1HB PRO 76 22.466 7.923 16.536 678 2HB PRO 76 2HB PRO 76 23.577 8.172 17.891 679 1HG PRO 76 1HG PRO 76 21.467 9.982 16.845 680 2HG PRO 76 2HG PRO 76 22.193 9.924 18.458 681 1HD PRO 76 1HD PRO 76 22.816 11.770 16.361 682 2HD PRO 76 2HD PRO 76 23.660 11.593 17.914 683 H GLU 77 H GLU 77 22.969 7.109 15.005 684 HA GLU 77 HA GLU 77 22.975 8.290 12.282 685 1HB GLU 77 1HB GLU 77 22.344 5.427 12.868 686 2HB GLU 77 2HB GLU 77 23.079 6.117 11.420 687 1HG GLU 77 1HG GLU 77 25.193 6.345 12.465 688 2HG GLU 77 2HG GLU 77 24.511 6.157 14.080 689 H LYS 78 H LYS 78 21.143 7.730 14.976 690 HA LYS 78 HA LYS 78 18.640 7.397 13.418 691 1HB LYS 78 1HB LYS 78 17.707 6.827 15.754 692 2HB LYS 78 2HB LYS 78 18.765 5.646 14.974 693 1HG LYS 78 1HG LYS 78 19.490 5.953 17.279 694 2HG LYS 78 2HG LYS 78 20.692 6.637 16.192 695 1HD LYS 78 1HD LYS 78 20.021 8.863 16.642 696 2HD LYS 78 2HD LYS 78 18.499 8.338 17.369 697 1HE LYS 78 1HE LYS 78 21.211 7.655 18.529 698 2HE LYS 78 2HE LYS 78 20.279 9.069 19.021 699 1HZ LYS 78 1HZ LYS 78 18.808 6.579 18.995 700 2HZ LYS 78 2HZ LYS 78 20.054 6.654 20.146 701 3HZ LYS 78 3HZ LYS 78 18.823 7.821 20.154 702 H ASP 79 H ASP 79 20.252 10.059 14.452 703 HA ASP 79 HA ASP 79 17.840 11.592 14.612 704 1HB ASP 79 1HB ASP 79 18.130 10.121 16.891 705 2HB ASP 79 2HB ASP 79 18.885 11.646 17.363 706 H CYS 80 H CYS 80 18.414 13.480 13.951 707 HA CYS 80 HA CYS 80 19.318 15.690 14.588 708 1HB CYS 80 1HB CYS 80 21.809 14.098 15.231 709 2HB CYS 80 2HB CYS 80 21.760 15.858 15.136 710 HG CYS 80 HG CYS 80 19.566 15.110 16.960 711 H ARG 81 H ARG 81 20.267 17.088 13.052 712 HA ARG 81 HA ARG 81 21.679 15.791 10.814 713 1HB ARG 81 1HB ARG 81 19.145 15.704 10.439 714 2HB ARG 81 2HB ARG 81 19.249 17.451 10.210 715 1HG ARG 81 1HG ARG 81 20.334 17.266 8.211 716 2HG ARG 81 2HG ARG 81 21.246 15.845 8.721 717 1HD ARG 81 1HD ARG 81 19.730 14.433 7.827 718 2HD ARG 81 2HD ARG 81 18.379 15.311 8.545 719 HE ARG 81 HE ARG 81 19.023 16.970 6.507 720 1HH1 ARG 81 1HH2 ARG 81 18.363 13.609 6.800 721 2HH1 ARG 81 2HH2 ARG 81 18.057 13.382 5.110 722 1HH2 ARG 81 1HH1 ARG 81 18.796 16.659 4.259 723 2HH2 ARG 81 2HH1 ARG 81 18.300 15.105 3.674 724 H TYR 82 H TYR 82 21.132 18.752 12.620 725 HA TYR 82 HA TYR 82 22.978 20.053 10.698 726 1HB TYR 82 1HB TYR 82 20.591 21.337 12.023 727 2HB TYR 82 2HB TYR 82 21.847 22.241 11.166 728 HD1 TYR 82 HD2 TYR 82 22.287 19.830 9.190 729 HD2 TYR 82 HD1 TYR 82 18.877 22.102 10.288 730 HE1 TYR 82 HE2 TYR 82 21.188 19.167 7.084 731 HE2 TYR 82 HE1 TYR 82 17.748 21.471 8.206 732 HH TYR 82 HH TYR 82 17.865 19.610 6.559 733 H ALA 83 H ALA 83 24.808 20.878 11.634 734 HA ALA 83 HA ALA 83 24.701 21.344 14.526 735 1HB ALA 83 3HB ALA 83 25.721 18.988 13.433 736 2HB ALA 83 1HB ALA 83 27.141 19.964 13.799 737 3HB ALA 83 2HB ALA 83 25.980 19.591 15.069 738 H LEU 84 H LEU 84 26.060 22.747 15.273 739 HA LEU 84 HA LEU 84 28.004 24.012 13.441 740 1HB LEU 84 1HB LEU 84 26.301 25.341 15.540 741 2HB LEU 84 2HB LEU 84 27.602 26.144 14.671 742 HG LEU 84 HG LEU 84 25.515 26.623 13.493 743 1HD1 LEU 84 2HD1 LEU 84 27.606 26.139 12.224 744 2HD1 LEU 84 3HD1 LEU 84 27.050 24.477 12.045 745 3HD1 LEU 84 1HD1 LEU 84 26.134 25.791 11.329 746 1HD2 LEU 84 1HD2 LEU 84 24.739 24.096 14.374 747 2HD2 LEU 84 2HD2 LEU 84 23.844 25.110 13.248 748 3HD2 LEU 84 3HD2 LEU 84 24.952 23.887 12.634 749 H TYR 85 H TYR 85 29.858 23.281 14.029 750 HA TYR 85 HA TYR 85 30.393 22.931 16.938 751 1HB TYR 85 1HB TYR 85 30.488 20.775 16.120 752 2HB TYR 85 2HB TYR 85 31.039 21.290 14.528 753 HD1 TYR 85 HD2 TYR 85 32.087 20.960 18.088 754 HD2 TYR 85 HD1 TYR 85 33.359 21.338 13.985 755 HE1 TYR 85 HE2 TYR 85 34.430 20.463 18.757 756 HE2 TYR 85 HE1 TYR 85 35.689 20.792 14.665 757 HH TYR 85 HH TYR 85 36.829 19.616 16.542 758 H ASP 86 H ASP 86 31.490 24.743 17.461 759 HA ASP 86 HA ASP 86 33.194 26.341 15.928 760 1HB ASP 86 1HB ASP 86 32.647 26.220 18.601 761 2HB ASP 86 2HB ASP 86 34.317 25.657 18.589 762 H ALA 87 H ALA 87 34.368 25.183 14.383 763 HA ALA 87 HA ALA 87 35.766 22.777 14.880 764 1HB ALA 87 3HB ALA 87 35.309 24.370 12.664 765 2HB ALA 87 1HB ALA 87 37.067 24.397 12.845 766 3HB ALA 87 2HB ALA 87 36.209 22.857 12.687 767 H SER 88 H SER 88 38.332 23.421 13.787 768 HA SER 88 HA SER 88 39.830 25.284 15.243 769 1HB SER 88 1HB SER 88 40.821 23.557 16.928 770 2HB SER 88 2HB SER 88 39.299 24.367 17.311 771 HG SER 88 HG SER 88 39.659 21.780 16.182 772 H PHE 89 H PHE 89 40.852 25.284 13.326 773 HA PHE 89 HA PHE 89 42.857 23.144 12.842 774 1HB PHE 89 1HB PHE 89 42.086 22.883 10.532 775 2HB PHE 89 2HB PHE 89 40.737 22.549 11.632 776 HD1 PHE 89 HD2 PHE 89 42.208 24.986 9.315 777 HD2 PHE 89 HD1 PHE 89 38.912 24.170 11.940 778 HE1 PHE 89 HE2 PHE 89 40.973 26.913 8.352 779 HE2 PHE 89 HE1 PHE 89 37.668 26.086 10.969 780 HZ PHE 89 HZ PHE 89 38.698 27.460 9.180 781 H GLU 90 H GLU 90 44.591 23.929 11.398 782 HA GLU 90 HA GLU 90 44.605 26.886 11.190 783 1HB GLU 90 1HB GLU 90 46.855 25.100 10.294 784 2HB GLU 90 2HB GLU 90 46.921 26.808 10.776 785 1HG GLU 90 1HG GLU 90 47.132 26.283 12.932 786 2HG GLU 90 2HG GLU 90 45.773 25.164 12.859 787 H THR 91 H THR 91 45.633 27.680 9.108 788 HA THR 91 HA THR 91 44.736 26.099 6.791 789 HB THR 91 HB THR 91 42.685 27.160 7.134 790 HG1 THR 91 HG1 THR 91 42.688 29.161 5.903 791 1HG2 THR 91 1HG2 THR 91 44.262 29.522 8.208 792 2HG2 THR 91 2HG2 THR 91 42.500 29.381 8.180 793 3HG2 THR 91 3HG2 THR 91 43.448 28.278 9.175 794 H LYS 92 H LYS 92 45.013 28.014 4.730 795 HA LYS 92 HA LYS 92 47.803 28.646 4.731 796 1HB LYS 92 1HB LYS 92 45.495 29.942 3.218 797 2HB LYS 92 2HB LYS 92 47.201 30.217 2.869 798 1HG LYS 92 1HG LYS 92 46.164 27.405 2.914 799 2HG LYS 92 2HG LYS 92 45.839 28.409 1.506 800 1HD LYS 92 1HD LYS 92 48.173 28.768 1.104 801 2HD LYS 92 2HD LYS 92 48.614 28.075 2.665 802 1HE LYS 92 1HE LYS 92 48.449 25.938 1.901 803 2HE LYS 92 2HE LYS 92 47.018 26.292 0.934 804 1HZ LYS 92 2HZ LYS 92 48.897 27.687 -0.360 805 2HZ LYS 92 3HZ LYS 92 49.814 26.369 0.195 806 3HZ LYS 92 1HZ LYS 92 48.440 26.106 -0.769 807 H GLU 93 H GLU 93 44.969 29.954 6.220 808 HA GLU 93 HA GLU 93 46.012 32.580 6.718 809 1HB GLU 93 1HB GLU 93 43.656 32.470 6.585 810 2HB GLU 93 2HB GLU 93 43.590 31.043 7.623 811 1HG GLU 93 1HG GLU 93 43.544 32.279 9.465 812 2HG GLU 93 2HG GLU 93 44.934 33.221 8.945 813 H SER 94 H SER 94 45.950 29.481 8.268 814 HA SER 94 HA SER 94 47.830 28.972 9.833 815 1HB SER 94 1HB SER 94 46.810 31.536 11.028 816 2HB SER 94 2HB SER 94 47.955 30.449 11.810 817 HG SER 94 HG SER 94 49.149 32.000 10.754 818 H ARG 95 H ARG 95 47.293 28.873 12.463 819 HA ARG 95 HA ARG 95 45.174 27.142 12.803 820 1HB ARG 95 1HB ARG 95 45.934 27.135 14.909 821 2HB ARG 95 2HB ARG 95 47.120 28.331 14.398 822 1HG ARG 95 1HG ARG 95 45.813 30.134 15.175 823 2HG ARG 95 2HG ARG 95 44.340 29.154 15.252 824 1HD ARG 95 1HD ARG 95 44.967 28.080 17.148 825 2HD ARG 95 2HD ARG 95 46.687 28.252 16.793 826 HE ARG 95 HE ARG 95 45.059 30.610 17.657 827 1HH1 ARG 95 1HH1 ARG 95 47.307 28.218 18.560 828 2HH1 ARG 95 2HH1 ARG 95 48.346 29.302 19.423 829 1HH2 ARG 95 1HH2 ARG 95 46.598 32.147 18.491 830 2HH2 ARG 95 2HH2 ARG 95 47.945 31.523 19.384 831 H LYS 96 H LYS 96 43.119 27.488 13.181 832 HA LYS 96 HA LYS 96 41.842 29.975 13.804 833 1HB LYS 96 1HB LYS 96 42.155 29.226 10.895 834 2HB LYS 96 2HB LYS 96 40.661 30.004 11.426 835 1HG LYS 96 1HG LYS 96 42.586 31.536 12.665 836 2HG LYS 96 2HG LYS 96 43.364 31.126 11.135 837 1HD LYS 96 1HD LYS 96 40.684 32.484 11.539 838 2HD LYS 96 2HD LYS 96 42.119 33.145 10.758 839 1HE LYS 96 1HE LYS 96 41.925 31.545 8.933 840 2HE LYS 96 2HE LYS 96 40.586 30.734 9.741 841 1HZ LYS 96 3HZ LYS 96 40.050 33.496 9.521 842 2HZ LYS 96 1HZ LYS 96 40.446 32.871 7.994 843 3HZ LYS 96 2HZ LYS 96 39.177 32.182 8.888 844 H GLU 97 H GLU 97 40.049 29.246 14.849 845 HA GLU 97 HA GLU 97 38.974 26.609 14.108 846 1HB GLU 97 1HB GLU 97 39.171 26.513 16.378 847 2HB GLU 97 2HB GLU 97 39.071 28.263 16.566 848 1HG GLU 97 1HG GLU 97 36.706 28.224 16.188 849 2HG GLU 97 2HG GLU 97 36.757 26.509 15.786 850 H GLU 98 H GLU 98 37.391 26.723 12.699 851 HA GLU 98 HA GLU 98 35.391 28.921 12.948 852 1HB GLU 98 1HB GLU 98 36.008 29.640 10.924 853 2HB GLU 98 2HB GLU 98 37.080 28.263 10.696 854 1HG GLU 98 1HG GLU 98 35.344 26.935 9.749 855 2HG GLU 98 2HG GLU 98 34.088 28.037 10.318 856 H LEU 99 H LEU 99 33.652 27.992 13.710 857 HA LEU 99 HA LEU 99 32.815 25.328 13.689 858 1HB LEU 99 1HB LEU 99 30.925 26.172 14.633 859 2HB LEU 99 2HB LEU 99 31.826 27.682 14.584 860 HG LEU 99 HG LEU 99 29.770 26.728 12.585 861 1HD1 LEU 99 2HD1 LEU 99 29.929 28.869 14.713 862 2HD1 LEU 99 3HD1 LEU 99 28.972 29.176 13.253 863 3HD1 LEU 99 1HD1 LEU 99 28.582 27.796 14.277 864 1HD2 LEU 99 3HD2 LEU 99 32.087 28.241 12.076 865 2HD2 LEU 99 1HD2 LEU 99 30.682 28.062 11.012 866 3HD2 LEU 99 2HD2 LEU 99 30.766 29.408 12.161 867 H MET 100 H MET 100 30.961 24.384 12.418 868 HA MET 100 HA MET 100 30.767 25.410 9.659 869 1HB MET 100 1HB MET 100 31.750 22.663 10.300 870 2HB MET 100 2HB MET 100 31.596 23.391 8.694 871 1HG MET 100 1HG MET 100 33.191 25.167 9.392 872 2HG MET 100 2HG MET 100 33.423 24.328 10.920 873 1HE MET 100 2HE MET 100 32.947 21.488 9.964 874 2HE MET 100 3HE MET 100 32.550 21.949 8.312 875 3HE MET 100 1HE MET 100 33.905 20.863 8.613 876 H PHE 101 H PHE 101 28.773 25.169 8.967 877 HA PHE 101 HA PHE 101 26.720 23.952 10.405 878 1HB PHE 101 1HB PHE 101 26.620 25.505 8.284 879 2HB PHE 101 2HB PHE 101 26.606 23.977 7.433 880 HD1 PHE 101 HD1 PHE 101 25.176 24.337 10.806 881 HD2 PHE 101 HD2 PHE 101 24.356 24.191 6.586 882 HE1 PHE 101 HE1 PHE 101 22.792 23.941 11.280 883 HE2 PHE 101 HE2 PHE 101 21.930 23.846 7.078 884 HZ PHE 101 HZ PHE 101 21.178 23.700 9.436 885 H PHE 102 H PHE 102 25.854 21.837 10.410 886 HA PHE 102 HA PHE 102 27.326 19.930 8.639 887 1HB PHE 102 1HB PHE 102 26.928 19.905 11.570 888 2HB PHE 102 2HB PHE 102 26.626 18.366 10.754 889 HD1 PHE 102 HD2 PHE 102 28.374 17.576 9.026 890 HD2 PHE 102 HD1 PHE 102 29.127 20.590 11.996 891 HE1 PHE 102 HE2 PHE 102 30.822 17.255 8.741 892 HE2 PHE 102 HE1 PHE 102 31.564 20.277 11.720 893 HZ PHE 102 HZ PHE 102 32.423 18.602 10.077 894 H LEU 103 H LEU 103 25.855 19.091 7.213 895 HA LEU 103 HA LEU 103 23.014 18.993 7.954 896 1HB LEU 103 1HB LEU 103 23.966 17.913 5.368 897 2HB LEU 103 2HB LEU 103 22.583 18.944 5.706 898 HG LEU 103 HG LEU 103 25.491 19.762 5.514 899 1HD1 LEU 103 3HD1 LEU 103 23.240 19.861 3.763 900 2HD1 LEU 103 1HD1 LEU 103 23.668 21.512 4.212 901 3HD1 LEU 103 2HD1 LEU 103 24.874 20.457 3.481 902 1HD2 LEU 103 1HD2 LEU 103 23.723 20.731 7.436 903 2HD2 LEU 103 2HD2 LEU 103 25.154 21.565 6.834 904 3HD2 LEU 103 3HD2 LEU 103 23.581 21.895 6.117 905 H TRP 104 H TRP 104 24.332 17.587 9.558 906 HA TRP 104 HA TRP 104 25.284 15.090 9.222 907 1HB TRP 104 1HB TRP 104 25.206 16.109 11.412 908 2HB TRP 104 2HB TRP 104 23.439 16.035 11.427 909 HD1 TRP 104 HD1 TRP 104 23.281 14.285 13.468 910 HE1 TRP 104 HE1 TRP 104 23.813 11.752 13.570 911 HE3 TRP 104 HE3 TRP 104 25.959 13.750 9.154 912 HZ2 TRP 104 HZ2 TRP 104 25.289 9.786 11.982 913 HZ3 TRP 104 HZ3 TRP 104 26.851 11.645 8.469 914 HH2 TRP 104 HH2 TRP 104 26.546 9.618 9.868 915 H ALA 105 H ALA 105 23.945 14.258 7.332 916 HA ALA 105 HA ALA 105 21.301 13.209 8.085 917 1HB ALA 105 2HB ALA 105 22.319 14.062 5.657 918 2HB ALA 105 3HB ALA 105 22.454 12.306 5.529 919 3HB ALA 105 1HB ALA 105 20.887 13.051 5.853 920 HA PRO 106 HA PRO 106 23.680 9.683 9.403 921 1HB PRO 106 1HB PRO 106 21.621 8.453 10.699 922 2HB PRO 106 2HB PRO 106 22.567 9.777 11.396 923 1HG PRO 106 1HG PRO 106 19.807 9.819 10.307 924 2HG PRO 106 2HG PRO 106 20.535 10.870 11.527 925 1HD PRO 106 1HD PRO 106 20.118 11.542 8.800 926 2HD PRO 106 2HD PRO 106 21.142 12.436 9.945 927 H GLU 107 H GLU 107 21.390 9.888 7.080 928 HA GLU 107 HA GLU 107 20.893 8.462 5.292 929 1HB GLU 107 1HB GLU 107 23.310 7.542 6.244 930 2HB GLU 107 2HB GLU 107 22.298 6.100 6.285 931 1HG GLU 107 1HG GLU 107 22.095 6.013 4.012 932 2HG GLU 107 2HG GLU 107 22.037 7.769 3.851 933 H LEU 108 H LEU 108 20.568 7.090 8.606 934 HA LEU 108 HA LEU 108 18.188 5.685 7.545 935 1HB LEU 108 1HB LEU 108 18.761 4.273 9.807 936 2HB LEU 108 2HB LEU 108 19.187 3.781 8.178 937 HG LEU 108 HG LEU 108 21.070 3.664 9.791 938 1HD1 LEU 108 3HD1 LEU 108 21.027 5.019 7.225 939 2HD1 LEU 108 1HD1 LEU 108 22.430 5.450 8.203 940 3HD1 LEU 108 2HD1 LEU 108 22.113 3.765 7.819 941 1HD2 LEU 108 3HD2 LEU 108 20.231 6.406 10.271 942 2HD2 LEU 108 1HD2 LEU 108 21.215 5.348 11.282 943 3HD2 LEU 108 2HD2 LEU 108 21.961 6.266 9.980 944 H ALA 109 H ALA 109 18.854 8.333 9.170 945 HA ALA 109 HA ALA 109 17.680 8.183 11.717 946 1HB ALA 109 1HB ALA 109 18.188 10.257 9.764 947 2HB ALA 109 2HB ALA 109 16.614 10.525 10.522 948 3HB ALA 109 3HB ALA 109 18.072 10.416 11.527 949 HA PRO 110 HA PRO 110 13.437 7.352 11.057 950 1HB PRO 110 1HB PRO 110 12.133 9.326 12.487 951 2HB PRO 110 2HB PRO 110 12.943 7.930 13.219 952 1HG PRO 110 1HG PRO 110 13.844 10.766 13.109 953 2HG PRO 110 2HG PRO 110 14.237 9.515 14.291 954 1HD PRO 110 1HD PRO 110 15.924 10.388 12.203 955 2HD PRO 110 2HD PRO 110 16.133 8.902 13.151 956 H LEU 111 H LEU 111 12.205 7.624 9.283 957 HA LEU 111 HA LEU 111 12.449 9.268 7.178 958 1HB LEU 111 1HB LEU 111 9.806 8.442 8.407 959 2HB LEU 111 2HB LEU 111 9.975 9.096 6.779 960 HG LEU 111 HG LEU 111 11.887 6.965 7.194 961 1HD1 LEU 111 2HD1 LEU 111 9.731 6.478 8.755 962 2HD1 LEU 111 3HD1 LEU 111 9.128 5.857 7.219 963 3HD1 LEU 111 1HD1 LEU 111 10.610 5.201 7.916 964 1HD2 LEU 111 1HD2 LEU 111 9.664 7.704 5.328 965 2HD2 LEU 111 2HD2 LEU 111 11.365 7.401 4.975 966 3HD2 LEU 111 3HD2 LEU 111 10.275 6.049 5.283 967 H LYS 112 H LYS 112 10.887 10.354 10.173 968 HA LYS 112 HA LYS 112 9.751 12.732 9.116 969 1HB LYS 112 1HB LYS 112 10.103 13.575 11.551 970 2HB LYS 112 2HB LYS 112 9.064 12.174 11.295 971 1HG LYS 112 1HG LYS 112 10.406 10.916 12.590 972 2HG LYS 112 2HG LYS 112 11.775 11.271 11.537 973 1HD LYS 112 1HD LYS 112 10.967 13.462 13.360 974 2HD LYS 112 2HD LYS 112 11.658 12.038 14.140 975 1HE LYS 112 1HE LYS 112 13.476 12.243 12.242 976 2HE LYS 112 2HE LYS 112 12.924 13.915 12.166 977 1HZ LYS 112 3HZ LYS 112 13.326 14.105 14.548 978 2HZ LYS 112 1HZ LYS 112 13.891 12.503 14.594 979 3HZ LYS 112 2HZ LYS 112 14.746 13.678 13.719 980 H SER 113 H SER 113 13.009 12.317 10.597 981 HA SER 113 HA SER 113 13.671 15.102 9.986 982 1HB SER 113 1HB SER 113 14.834 14.522 11.879 983 2HB SER 113 2HB SER 113 14.994 12.834 11.392 984 HG SER 113 HG SER 113 16.960 14.130 11.316 985 H LYS 114 H LYS 114 13.529 12.355 8.142 986 HA LYS 114 HA LYS 114 15.908 13.029 6.500 987 1HB LYS 114 1HB LYS 114 13.922 10.902 5.769 988 2HB LYS 114 2HB LYS 114 15.669 10.923 5.526 989 1HG LYS 114 1HG LYS 114 16.069 10.535 7.879 990 2HG LYS 114 2HG LYS 114 14.357 10.734 8.256 991 1HD LYS 114 1HD LYS 114 14.368 8.446 8.110 992 2HD LYS 114 2HD LYS 114 14.178 8.789 6.391 993 1HE LYS 114 1HE LYS 114 16.975 8.886 7.210 994 2HE LYS 114 2HE LYS 114 16.246 7.316 7.546 995 1HZ LYS 114 3HZ LYS 114 15.332 8.089 5.053 996 2HZ LYS 114 1HZ LYS 114 16.998 8.422 5.058 997 3HZ LYS 114 2HZ LYS 114 16.447 6.856 5.406 998 H MET 115 H MET 115 12.440 13.138 6.547 999 HA MET 115 HA MET 115 12.208 14.169 3.776 1000 1HB MET 115 1HB MET 115 10.075 14.014 5.912 1001 2HB MET 115 2HB MET 115 9.849 14.065 4.160 1002 1HG MET 115 1HG MET 115 11.517 11.815 4.727 1003 2HG MET 115 2HG MET 115 10.141 11.750 5.828 1004 1HE MET 115 3HE MET 115 8.502 10.297 5.340 1005 2HE MET 115 1HE MET 115 8.064 9.633 3.769 1006 3HE MET 115 2HE MET 115 9.679 9.355 4.413 1007 H ILE 116 H ILE 116 12.212 15.232 7.105 1008 HA ILE 116 HA ILE 116 10.922 17.707 6.615 1009 HB ILE 116 HB ILE 116 12.359 16.265 8.779 1010 1HG1 ILE 116 1HG1 ILE 116 10.296 15.940 9.637 1011 2HG1 ILE 116 2HG1 ILE 116 9.837 17.620 9.388 1012 1HG2 ILE 116 3HG2 ILE 116 11.871 19.163 8.583 1013 2HG2 ILE 116 1HG2 ILE 116 11.765 18.374 10.157 1014 3HG2 ILE 116 2HG2 ILE 116 13.249 18.272 9.211 1015 1HD1 ILE 116 1HD1 ILE 116 9.948 15.598 7.137 1016 2HD1 ILE 116 2HD1 ILE 116 8.488 15.914 8.069 1017 3HD1 ILE 116 3HD1 ILE 116 9.213 17.201 7.110 1018 H TYR 117 H TYR 117 14.115 16.858 7.785 1019 HA TYR 117 HA TYR 117 15.319 19.365 7.768 1020 1HB TYR 117 1HB TYR 117 16.221 16.556 7.537 1021 2HB TYR 117 2HB TYR 117 17.399 17.781 7.022 1022 HD1 TYR 117 HD1 TYR 117 16.746 20.024 8.765 1023 HD2 TYR 117 HD2 TYR 117 16.933 15.850 9.672 1024 HE1 TYR 117 HE1 TYR 117 17.200 20.571 11.131 1025 HE2 TYR 117 HE2 TYR 117 17.387 16.383 12.057 1026 HH TYR 117 HH TYR 117 18.371 19.367 13.100 1027 H ALA 118 H ALA 118 14.518 17.233 5.222 1028 HA ALA 118 HA ALA 118 15.887 17.930 2.974 1029 1HB ALA 118 1HB ALA 118 13.325 16.956 3.712 1030 2HB ALA 118 2HB ALA 118 13.086 18.151 2.428 1031 3HB ALA 118 3HB ALA 118 14.144 16.761 2.153 1032 H SER 119 H SER 119 13.188 19.797 4.383 1033 HA SER 119 HA SER 119 14.101 22.166 2.795 1034 1HB SER 119 1HB SER 119 11.727 21.138 2.481 1035 2HB SER 119 2HB SER 119 11.381 21.871 4.045 1036 HG SER 119 HG SER 119 10.901 23.437 2.616 1037 H SER 120 H SER 120 14.137 20.850 5.847 1038 HA SER 120 HA SER 120 13.475 23.216 7.415 1039 1HB SER 120 1HB SER 120 15.310 21.107 8.472 1040 2HB SER 120 2HB SER 120 14.007 21.963 9.287 1041 HG SER 120 HG SER 120 12.638 20.786 7.666 1042 H LYS 121 H LYS 121 16.428 21.895 6.004 1043 HA LYS 121 HA LYS 121 18.333 23.463 7.372 1044 1HB LYS 121 1HB LYS 121 18.386 21.596 5.435 1045 2HB LYS 121 2HB LYS 121 18.755 23.052 4.506 1046 1HG LYS 121 1HG LYS 121 20.531 23.630 5.853 1047 2HG LYS 121 2HG LYS 121 20.046 22.543 7.157 1048 1HD LYS 121 1HD LYS 121 21.825 21.374 6.070 1049 2HD LYS 121 2HD LYS 121 20.362 20.662 5.390 1050 1HE LYS 121 1HE LYS 121 21.901 21.187 3.569 1051 2HE LYS 121 2HE LYS 121 20.502 22.254 3.484 1052 1HZ LYS 121 2HZ LYS 121 22.763 23.172 5.073 1053 2HZ LYS 121 3HZ LYS 121 22.975 23.156 3.388 1054 3HZ LYS 121 1HZ LYS 121 21.709 24.050 4.076 1055 H ASP 122 H ASP 122 16.097 24.275 4.998 1056 HA ASP 122 HA ASP 122 17.294 26.705 3.988 1057 1HB ASP 122 1HB ASP 122 15.137 25.167 3.234 1058 2HB ASP 122 2HB ASP 122 14.337 26.500 4.072 1059 H ALA 123 H ALA 123 15.138 25.654 6.453 1060 HA ALA 123 HA ALA 123 14.282 28.152 7.540 1061 1HB ALA 123 2HB ALA 123 13.891 25.431 7.926 1062 2HB ALA 123 3HB ALA 123 14.659 25.955 9.430 1063 3HB ALA 123 1HB ALA 123 13.158 26.724 8.894 1064 H ILE 124 H ILE 124 16.675 25.839 8.897 1065 HA ILE 124 HA ILE 124 17.933 27.546 10.726 1066 HB ILE 124 HB ILE 124 18.403 25.143 10.462 1067 1HG1 ILE 124 1HG1 ILE 124 21.032 26.360 9.886 1068 2HG1 ILE 124 2HG1 ILE 124 20.113 27.116 11.188 1069 1HG2 ILE 124 3HG2 ILE 124 18.299 25.236 7.992 1070 2HG2 ILE 124 1HG2 ILE 124 19.872 26.033 7.979 1071 3HG2 ILE 124 2HG2 ILE 124 19.724 24.379 8.580 1072 1HD1 ILE 124 3HD1 ILE 124 20.524 24.132 11.009 1073 2HD1 ILE 124 1HD1 ILE 124 21.654 25.196 11.872 1074 3HD1 ILE 124 2HD1 ILE 124 19.964 25.075 12.419 1075 H LYS 125 H LYS 125 18.349 27.125 7.269 1076 HA LYS 125 HA LYS 125 20.608 28.740 6.785 1077 1HB LYS 125 1HB LYS 125 18.578 27.451 5.263 1078 2HB LYS 125 2HB LYS 125 18.717 29.113 4.689 1079 1HG LYS 125 1HG LYS 125 20.451 28.260 3.480 1080 2HG LYS 125 2HG LYS 125 21.320 28.525 4.988 1081 1HD LYS 125 1HD LYS 125 19.880 25.932 4.505 1082 2HD LYS 125 2HD LYS 125 21.503 26.191 3.867 1083 1HE LYS 125 1HE LYS 125 21.208 27.024 6.668 1084 2HE LYS 125 2HE LYS 125 20.952 25.302 6.418 1085 1HZ LYS 125 3HZ LYS 125 23.241 26.662 5.164 1086 2HZ LYS 125 1HZ LYS 125 23.325 26.171 6.784 1087 3HZ LYS 125 2HZ LYS 125 23.056 25.021 5.562 1088 H LYS 126 H LYS 126 17.194 29.678 6.996 1089 HA LYS 126 HA LYS 126 17.512 32.384 6.186 1090 1HB LYS 126 1HB LYS 126 15.509 30.941 7.891 1091 2HB LYS 126 2HB LYS 126 15.473 32.705 7.832 1092 1HG LYS 126 1HG LYS 126 14.895 32.760 5.593 1093 2HG LYS 126 2HG LYS 126 15.687 31.222 5.246 1094 1HD LYS 126 1HD LYS 126 13.158 31.132 5.197 1095 2HD LYS 126 2HD LYS 126 13.911 29.983 6.306 1096 1HE LYS 126 1HE LYS 126 12.795 30.890 8.030 1097 2HE LYS 126 2HE LYS 126 13.534 32.455 7.695 1098 1HZ LYS 126 3HZ LYS 126 11.496 31.854 5.808 1099 2HZ LYS 126 1HZ LYS 126 10.887 31.786 7.392 1100 3HZ LYS 126 2HZ LYS 126 11.645 33.197 6.837 1101 H LYS 127 H LYS 127 18.558 30.781 8.984 1102 HA LYS 127 HA LYS 127 19.225 33.381 10.277 1103 1HB LYS 127 1HB LYS 127 18.304 30.761 11.418 1104 2HB LYS 127 2HB LYS 127 19.418 31.748 12.363 1105 1HG LYS 127 1HG LYS 127 16.807 32.755 11.200 1106 2HG LYS 127 2HG LYS 127 17.020 32.238 12.874 1107 1HD LYS 127 1HD LYS 127 18.105 34.147 13.451 1108 2HD LYS 127 2HD LYS 127 19.036 34.177 11.952 1109 1HE LYS 127 1HE LYS 127 16.449 34.676 11.090 1110 2HE LYS 127 2HE LYS 127 16.535 35.553 12.618 1111 1HZ LYS 127 3HZ LYS 127 18.883 36.191 11.548 1112 2HZ LYS 127 1HZ LYS 127 17.964 36.010 10.134 1113 3HZ LYS 127 2HZ LYS 127 17.474 37.115 11.328 1114 H PHE 128 H PHE 128 20.344 30.617 8.704 1115 HA PHE 128 HA PHE 128 22.976 30.615 10.066 1116 1HB PHE 128 1HB PHE 128 21.497 28.781 8.286 1117 2HB PHE 128 2HB PHE 128 23.252 28.796 8.099 1118 HD1 PHE 128 HD2 PHE 128 21.321 29.767 11.021 1119 HD2 PHE 128 HD1 PHE 128 23.866 26.764 9.302 1120 HE1 PHE 128 HE2 PHE 128 21.535 28.708 13.225 1121 HE2 PHE 128 HE1 PHE 128 24.069 25.696 11.543 1122 HZ PHE 128 HZ PHE 128 22.894 26.654 13.499 1123 H GLN 129 H GLN 129 22.112 32.828 8.699 1124 HA GLN 129 HA GLN 129 22.895 33.480 6.172 1125 1HB GLN 129 1HB GLN 129 24.057 35.115 8.404 1126 2HB GLN 129 2HB GLN 129 23.338 35.663 6.892 1127 1HG GLN 129 1HG GLN 129 21.804 34.317 9.130 1128 2HG GLN 129 2HG GLN 129 21.866 36.057 8.873 1129 1HE2 GLN 129 2HE2 GLN 129 19.487 33.759 6.498 1130 2HE2 GLN 129 1HE2 GLN 129 20.493 33.048 7.666 1131 H GLY 130 H GLY 130 25.292 33.767 8.806 1132 1HA GLY 130 1HA GLY 130 27.419 33.056 6.844 1133 2HA GLY 130 2HA GLY 130 27.686 33.906 8.368 1134 H ILE 131 H ILE 131 26.960 30.752 6.952 1135 HA ILE 131 HA ILE 131 27.078 29.318 9.437 1136 HB ILE 131 HB ILE 131 26.533 28.831 6.636 1137 1HG1 ILE 131 1HG1 ILE 131 24.894 28.524 8.353 1138 2HG1 ILE 131 2HG1 ILE 131 25.259 26.953 7.629 1139 1HG2 ILE 131 3HG2 ILE 131 28.169 26.825 8.154 1140 2HG2 ILE 131 1HG2 ILE 131 27.251 26.463 6.695 1141 3HG2 ILE 131 2HG2 ILE 131 28.592 27.613 6.626 1142 1HD1 ILE 131 3HD1 ILE 131 27.173 27.004 9.463 1143 2HD1 ILE 131 1HD1 ILE 131 25.952 28.026 10.287 1144 3HD1 ILE 131 2HD1 ILE 131 25.532 26.372 9.803 1145 H LYS 132 H LYS 132 29.292 30.384 7.066 1146 HA LYS 132 HA LYS 132 31.664 30.385 7.155 1147 1HB LYS 132 1HB LYS 132 31.649 28.331 9.351 1148 2HB LYS 132 2HB LYS 132 32.834 29.593 9.020 1149 1HG LYS 132 1HG LYS 132 30.175 29.812 10.361 1150 2HG LYS 132 2HG LYS 132 31.724 30.484 10.855 1151 1HD LYS 132 1HD LYS 132 31.369 31.713 8.450 1152 2HD LYS 132 2HD LYS 132 29.704 31.571 9.001 1153 1HE LYS 132 1HE LYS 132 30.638 33.684 9.807 1154 2HE LYS 132 2HE LYS 132 30.381 32.603 11.178 1155 1HZ LYS 132 1HZ LYS 132 32.944 32.218 10.000 1156 2HZ LYS 132 2HZ LYS 132 32.733 33.830 10.484 1157 3HZ LYS 132 3HZ LYS 132 32.543 32.574 11.612 1158 H HIS 133 H HIS 133 29.970 27.331 7.903 1159 HA HIS 133 HA HIS 133 31.245 26.243 5.432 1160 1HB HIS 133 1HB HIS 133 31.857 25.351 8.194 1161 2HB HIS 133 2HB HIS 133 31.802 24.146 6.917 1162 HD1 HIS 133 HD1 HIS 133 32.913 26.154 4.665 1163 HD2 HIS 133 HD2 HIS 133 34.650 25.429 8.368 1164 HE1 HIS 133 HE1 HIS 133 35.344 26.831 4.464 1165 H GLU 134 H GLU 134 29.378 25.623 4.405 1166 HA GLU 134 HA GLU 134 27.432 24.091 6.007 1167 1HB GLU 134 1HB GLU 134 26.032 25.168 4.683 1168 2HB GLU 134 2HB GLU 134 27.281 25.583 3.512 1169 1HG GLU 134 1HG GLU 134 27.070 23.482 2.412 1170 2HG GLU 134 2HG GLU 134 26.142 22.803 3.753 1171 H CYS 135 H CYS 135 28.105 22.154 6.297 1172 HA CYS 135 HA CYS 135 29.154 20.544 3.978 1173 1HB CYS 135 1HB CYS 135 30.072 19.401 6.409 1174 2HB CYS 135 2HB CYS 135 31.035 20.214 5.168 1175 HG CYS 135 HG CYS 135 30.189 21.429 7.846 1176 H GLN 136 H GLN 136 27.559 19.072 3.452 1177 HA GLN 136 HA GLN 136 25.787 17.988 5.544 1178 1HB GLN 136 1HB GLN 136 24.812 18.500 3.352 1179 2HB GLN 136 2HB GLN 136 25.951 17.409 2.574 1180 1HG GLN 136 1HG GLN 136 24.825 15.538 3.239 1181 2HG GLN 136 2HG GLN 136 24.360 16.245 4.783 1182 1HE2 GLN 136 2HE2 GLN 136 21.177 17.192 3.656 1183 2HE2 GLN 136 1HE2 GLN 136 22.233 17.010 4.967 1184 H ALA 137 H ALA 137 25.581 15.737 5.991 1185 HA ALA 137 HA ALA 137 27.762 13.980 5.052 1186 1HB ALA 137 2HB ALA 137 27.143 14.502 7.965 1187 2HB ALA 137 3HB ALA 137 28.159 13.186 7.382 1188 3HB ALA 137 1HB ALA 137 28.655 14.858 7.130 1189 H ASN 138 H ASN 138 26.593 12.393 4.125 1190 HA ASN 138 HA ASN 138 24.165 11.450 5.568 1191 1HB ASN 138 1HB ASN 138 25.064 10.858 2.758 1192 2HB ASN 138 2HB ASN 138 23.634 10.171 3.544 1193 1HD2 ASN 138 2HD2 ASN 138 23.514 14.258 2.943 1194 2HD2 ASN 138 1HD2 ASN 138 24.988 13.544 3.386 1195 H GLY 139 H GLY 139 26.500 11.040 6.659 1196 1HA GLY 139 1HA GLY 139 26.685 8.405 7.439 1197 2HA GLY 139 2HA GLY 139 27.879 8.615 6.129 1198 HA PRO 140 HA PRO 140 28.888 11.065 10.091 1199 1HB PRO 140 1HB PRO 140 30.352 9.186 11.522 1200 2HB PRO 140 2HB PRO 140 28.638 9.540 11.802 1201 1HG PRO 140 1HG PRO 140 29.872 7.218 10.353 1202 2HG PRO 140 2HG PRO 140 28.380 7.277 11.307 1203 1HD PRO 140 1HD PRO 140 28.444 7.316 8.517 1204 2HD PRO 140 2HD PRO 140 27.099 7.956 9.483 1205 H GLU 141 H GLU 141 30.233 9.348 7.577 1206 HA GLU 141 HA GLU 141 33.055 9.983 8.078 1207 1HB GLU 141 1HB GLU 141 33.277 8.144 6.803 1208 2HB GLU 141 2HB GLU 141 31.538 8.140 6.461 1209 1HG GLU 141 1HG GLU 141 31.843 9.791 4.702 1210 2HG GLU 141 2HG GLU 141 33.569 9.889 5.058 1211 H ASP 142 H ASP 142 30.299 11.407 6.414 1212 HA ASP 142 HA ASP 142 31.922 12.861 4.499 1213 1HB ASP 142 1HB ASP 142 29.115 12.701 5.251 1214 2HB ASP 142 2HB ASP 142 29.618 14.375 5.006 1215 H LEU 143 H LEU 143 31.280 13.084 7.844 1216 HA LEU 143 HA LEU 143 31.964 15.917 8.137 1217 1HB LEU 143 1HB LEU 143 31.608 13.665 10.118 1218 2HB LEU 143 2HB LEU 143 31.951 15.336 10.575 1219 HG LEU 143 HG LEU 143 29.848 15.675 8.874 1220 1HD1 LEU 143 3HD1 LEU 143 29.447 13.063 10.351 1221 2HD1 LEU 143 1HD1 LEU 143 28.197 13.926 9.456 1222 3HD1 LEU 143 2HD1 LEU 143 29.592 13.259 8.602 1223 1HD2 LEU 143 1HD2 LEU 143 30.272 16.445 11.302 1224 2HD2 LEU 143 2HD2 LEU 143 28.594 16.202 10.821 1225 3HD2 LEU 143 3HD2 LEU 143 29.422 14.977 11.783 1226 H ASN 144 H ASN 144 33.553 13.151 7.418 1227 HA ASN 144 HA ASN 144 35.749 12.600 8.761 1228 1HB ASN 144 1HB ASN 144 35.312 11.911 6.413 1229 2HB ASN 144 2HB ASN 144 35.907 13.485 5.909 1230 1HD2 ASN 144 2HD2 ASN 144 38.646 11.246 7.901 1231 2HD2 ASN 144 1HD2 ASN 144 37.055 11.349 8.497 1232 H ARG 145 H ARG 145 37.651 13.527 9.257 1233 HA ARG 145 HA ARG 145 37.668 16.437 9.275 1234 1HB ARG 145 1HB ARG 145 40.169 15.880 10.117 1235 2HB ARG 145 2HB ARG 145 38.773 15.854 11.184 1236 1HG ARG 145 1HG ARG 145 38.940 13.627 11.511 1237 2HG ARG 145 2HG ARG 145 39.131 13.312 9.775 1238 1HD ARG 145 1HD ARG 145 41.478 13.727 9.862 1239 2HD ARG 145 2HD ARG 145 41.369 14.423 11.480 1240 HE ARG 145 HE ARG 145 41.273 12.221 12.381 1241 1HH1 ARG 145 1HH2 ARG 145 39.255 11.075 10.488 1242 2HH1 ARG 145 2HH2 ARG 145 40.189 9.895 9.630 1243 1HH2 ARG 145 1HH1 ARG 145 43.243 11.215 10.603 1244 2HH2 ARG 145 2HH1 ARG 145 42.446 9.974 9.694 1245 H ALA 146 H ALA 146 39.039 13.903 7.366 1246 HA ALA 146 HA ALA 146 41.044 15.486 5.988 1247 1HB ALA 146 1HB ALA 146 40.555 12.844 6.057 1248 2HB ALA 146 2HB ALA 146 39.594 13.252 4.629 1249 3HB ALA 146 3HB ALA 146 41.333 13.601 4.663 1250 H CYS 147 H CYS 147 37.687 14.668 5.669 1251 HA CYS 147 HA CYS 147 37.237 15.969 3.088 1252 1HB CYS 147 1HB CYS 147 35.936 14.106 4.248 1253 2HB CYS 147 2HB CYS 147 35.213 15.420 5.204 1254 HG CYS 147 HG CYS 147 33.977 14.736 2.761 1255 H ILE 148 H ILE 148 36.795 16.785 6.447 1256 HA ILE 148 HA ILE 148 35.534 19.281 5.930 1257 HB ILE 148 HB ILE 148 37.044 18.089 8.260 1258 1HG1 ILE 148 1HG1 ILE 148 35.123 17.032 8.712 1259 2HG1 ILE 148 2HG1 ILE 148 34.312 18.579 8.878 1260 1HG2 ILE 148 2HG2 ILE 148 35.600 20.689 7.922 1261 2HG2 ILE 148 3HG2 ILE 148 35.953 19.998 9.507 1262 3HG2 ILE 148 1HG2 ILE 148 37.269 20.411 8.405 1263 1HD1 ILE 148 2HD1 ILE 148 34.664 17.007 6.312 1264 2HD1 ILE 148 3HD1 ILE 148 33.176 17.115 7.258 1265 3HD1 ILE 148 1HD1 ILE 148 33.828 18.566 6.458 1266 H ALA 149 H ALA 149 38.568 17.779 5.989 1267 HA ALA 149 HA ALA 149 40.268 20.185 5.919 1268 1HB ALA 149 1HB ALA 149 40.708 17.225 5.622 1269 2HB ALA 149 2HB ALA 149 42.002 18.396 5.419 1270 3HB ALA 149 3HB ALA 149 41.189 18.234 6.977 1271 H GLU 150 H GLU 150 38.146 19.376 4.018 1272 HA GLU 150 HA GLU 150 39.544 19.740 1.457 1273 1HB GLU 150 1HB GLU 150 38.834 17.662 0.940 1274 2HB GLU 150 2HB GLU 150 37.809 17.568 2.376 1275 1HG GLU 150 1HG GLU 150 36.023 18.707 1.292 1276 2HG GLU 150 2HG GLU 150 37.051 19.195 -0.056 1277 H LYS 151 H LYS 151 36.783 20.112 3.561 1278 HA LYS 151 HA LYS 151 35.289 21.882 1.828 1279 1HB LYS 151 1HB LYS 151 33.776 21.031 3.300 1280 2HB LYS 151 2HB LYS 151 35.043 20.496 4.405 1281 1HG LYS 151 1HG LYS 151 35.059 22.519 5.560 1282 2HG LYS 151 2HG LYS 151 34.329 23.410 4.219 1283 1HD LYS 151 1HD LYS 151 32.933 21.256 5.849 1284 2HD LYS 151 2HD LYS 151 32.683 22.998 6.032 1285 1HE LYS 151 1HE LYS 151 31.990 21.269 3.656 1286 2HE LYS 151 2HE LYS 151 30.916 22.294 4.603 1287 1HZ LYS 151 1HZ LYS 151 32.510 24.155 3.825 1288 2HZ LYS 151 2HZ LYS 151 32.907 23.059 2.589 1289 3HZ LYS 151 3HZ LYS 151 31.303 23.589 2.776 1290 H LEU 152 H LEU 152 37.832 21.838 4.115 1291 HA LEU 152 HA LEU 152 38.136 24.807 4.041 1292 1HB LEU 152 1HB LEU 152 39.303 22.814 6.020 1293 2HB LEU 152 2HB LEU 152 39.505 24.563 6.069 1294 HG LEU 152 HG LEU 152 36.705 23.997 5.947 1295 1HD1 LEU 152 3HD1 LEU 152 38.283 22.053 7.431 1296 2HD1 LEU 152 1HD1 LEU 152 37.179 22.933 8.497 1297 3HD1 LEU 152 2HD1 LEU 152 36.552 22.059 7.097 1298 1HD2 LEU 152 2HD2 LEU 152 38.564 25.036 8.095 1299 2HD2 LEU 152 3HD2 LEU 152 37.687 26.002 6.908 1300 3HD2 LEU 152 1HD2 LEU 152 36.805 25.147 8.178 1301 H GLY 153 H GLY 153 39.617 21.592 3.869 1302 1HA GLY 153 1HA GLY 153 42.200 22.581 2.901 1303 2HA GLY 153 2HA GLY 153 41.725 20.926 3.128 1304 H GLY 154 H GLY 154 39.315 22.305 1.549 1305 1HA GLY 154 1HA GLY 154 40.410 21.479 -1.122 1306 2HA GLY 154 2HA GLY 154 38.689 21.463 -0.728 1307 H SER 155 H SER 155 40.663 23.979 0.468 1308 HA SER 155 HA SER 155 39.904 25.864 -1.667 1309 1HB SER 155 1HB SER 155 38.364 25.635 0.634 1310 2HB SER 155 2HB SER 155 39.448 26.975 0.999 1311 HG SER 155 HG SER 155 37.350 26.860 -0.709 1312 H LEU 156 H LEU 156 41.044 26.462 1.641 1313 HA LEU 156 HA LEU 156 43.816 26.820 0.739 1314 1HB LEU 156 1HB LEU 156 42.644 29.246 1.983 1315 2HB LEU 156 2HB LEU 156 43.960 29.104 0.822 1316 HG LEU 156 HG LEU 156 42.164 28.386 -0.853 1317 1HD1 LEU 156 3HD1 LEU 156 40.533 28.459 1.378 1318 2HD1 LEU 156 1HD1 LEU 156 40.124 29.938 0.505 1319 3HD1 LEU 156 2HD1 LEU 156 39.998 28.371 -0.304 1320 1HD2 LEU 156 3HD2 LEU 156 43.305 30.597 -0.824 1321 2HD2 LEU 156 1HD2 LEU 156 41.646 30.695 -1.412 1322 3HD2 LEU 156 2HD2 LEU 156 42.030 31.199 0.234 1323 H ILE 157 H ILE 157 43.583 25.069 2.753 1324 HA ILE 157 HA ILE 157 43.959 26.808 5.123 1325 HB ILE 157 HB ILE 157 43.407 24.848 6.508 1326 1HG1 ILE 157 1HG1 ILE 157 42.513 23.700 3.870 1327 2HG1 ILE 157 2HG1 ILE 157 43.923 23.119 4.787 1328 1HG2 ILE 157 1HG2 ILE 157 41.720 26.547 4.988 1329 2HG2 ILE 157 2HG2 ILE 157 40.969 24.952 5.025 1330 3HG2 ILE 157 3HG2 ILE 157 41.374 25.770 6.533 1331 1HD1 ILE 157 3HD1 ILE 157 42.065 23.235 6.723 1332 2HD1 ILE 157 1HD1 ILE 157 41.050 22.815 5.324 1333 3HD1 ILE 157 2HD1 ILE 157 42.401 21.777 5.778 1334 H VAL 158 H VAL 158 45.060 24.272 6.415 1335 HA VAL 158 HA VAL 158 47.557 23.781 5.054 1336 HB VAL 158 HB VAL 158 47.355 25.753 7.317 1337 1HG1 VAL 158 2HG1 VAL 158 49.335 23.603 6.986 1338 2HG1 VAL 158 3HG1 VAL 158 50.037 25.212 7.162 1339 3HG1 VAL 158 1HG1 VAL 158 48.959 24.577 8.406 1340 1HG2 VAL 158 3HG2 VAL 158 48.770 25.569 4.658 1341 2HG2 VAL 158 1HG2 VAL 158 47.655 26.811 5.225 1342 3HG2 VAL 158 2HG2 VAL 158 49.288 26.728 5.882 1343 H ALA 159 H ALA 159 45.528 23.659 7.871 1344 HA ALA 159 HA ALA 159 46.703 21.031 8.632 1345 1HB ALA 159 3HB ALA 159 46.132 23.386 10.207 1346 2HB ALA 159 1HB ALA 159 45.180 22.012 10.762 1347 3HB ALA 159 2HB ALA 159 46.936 21.892 10.691 1348 H PHE 160 H PHE 160 45.256 19.464 9.202 1349 HA PHE 160 HA PHE 160 43.146 18.374 9.289 1350 1HB PHE 160 1HB PHE 160 42.245 21.046 9.085 1351 2HB PHE 160 2HB PHE 160 41.583 20.222 7.669 1352 HD1 PHE 160 HD1 PHE 160 42.432 18.802 10.975 1353 HD2 PHE 160 HD2 PHE 160 39.317 19.910 8.263 1354 HE1 PHE 160 HE1 PHE 160 40.767 17.699 12.456 1355 HE2 PHE 160 HE2 PHE 160 37.639 18.814 9.742 1356 HZ PHE 160 HZ PHE 160 38.365 17.709 11.827 1357 H GLU 161 H GLU 161 44.002 20.457 6.631 1358 HA GLU 161 HA GLU 161 43.770 18.221 4.714 1359 1HB GLU 161 1HB GLU 161 42.851 20.680 4.360 1360 2HB GLU 161 2HB GLU 161 44.525 21.029 3.947 1361 1HG GLU 161 1HG GLU 161 43.054 18.697 2.708 1362 2HG GLU 161 2HG GLU 161 42.978 20.310 2.005 1363 H GLY 162 H GLY 162 45.978 20.101 6.646 1364 1HA GLY 162 1HA GLY 162 48.224 18.918 5.039 1365 2HA GLY 162 2HA GLY 162 48.332 20.519 5.735 1366 H CYS 163 H CYS 163 48.337 20.606 8.216 1367 HA CYS 163 HA CYS 163 50.310 18.913 9.225 1368 1HB CYS 163 1HB CYS 163 48.541 20.925 10.408 1369 2HB CYS 163 2HB CYS 163 49.216 19.747 11.535 1370 HG CYS 163 HG CYS 163 50.886 21.749 9.840 1371 HA PRO 164 HA PRO 164 47.480 16.187 11.817 1372 1HB PRO 164 1HB PRO 164 44.783 16.777 11.835 1373 2HB PRO 164 2HB PRO 164 45.936 17.360 13.051 1374 1HG PRO 164 1HG PRO 164 44.722 18.814 10.736 1375 2HG PRO 164 2HG PRO 164 45.227 19.445 12.312 1376 1HD PRO 164 1HD PRO 164 46.755 19.775 9.999 1377 2HD PRO 164 2HD PRO 164 47.412 19.773 11.639 1378 H VAL 165 H VAL 165 45.878 17.490 8.917 1379 HA VAL 165 HA VAL 165 45.986 14.764 7.786 1380 HB VAL 165 HB VAL 165 43.380 15.429 7.065 1381 1HG1 VAL 165 3HG1 VAL 165 44.770 13.316 8.192 1382 2HG1 VAL 165 1HG1 VAL 165 43.537 13.682 9.399 1383 3HG1 VAL 165 2HG1 VAL 165 43.065 13.312 7.740 1384 1HG2 VAL 165 3HG2 VAL 165 43.932 16.710 9.610 1385 2HG2 VAL 165 1HG2 VAL 165 42.437 16.687 8.683 1386 3HG2 VAL 165 2HG2 VAL 165 42.782 15.398 9.832 No H/Q in entry = 1386 Start of MODEL 16 1 1H THR -8 2H THR -8 -14.623 14.263 10.453 2 2H THR -8 3H THR -8 -15.888 13.478 9.641 3 3H THR -8 1H THR -8 -16.088 13.962 11.258 4 HA THR -8 HA THR -8 -15.665 11.743 11.540 5 HB THR -8 HB THR -8 -13.495 11.841 9.437 6 HG1 THR -8 HG1 THR -8 -15.029 11.254 7.955 7 1HG2 THR -8 3HG2 THR -8 -14.480 9.878 11.245 8 2HG2 THR -8 1HG2 THR -8 -14.969 9.393 9.622 9 3HG2 THR -8 2HG2 THR -8 -13.266 9.674 9.979 10 H MET -7 H MET -7 -12.513 13.036 10.457 11 HA MET -7 HA MET -7 -11.715 13.374 13.292 12 1HB MET -7 1HB MET -7 -10.258 11.619 11.289 13 2HB MET -7 2HB MET -7 -9.572 12.142 12.827 14 1HG MET -7 1HG MET -7 -12.248 10.997 13.129 15 2HG MET -7 2HG MET -7 -11.098 9.858 12.434 16 1HE MET -7 2HE MET -7 -12.664 9.567 14.735 17 2HE MET -7 3HE MET -7 -11.661 9.008 16.081 18 3HE MET -7 1HE MET -7 -12.359 10.626 16.110 19 H ILE -6 H ILE -6 -11.533 15.605 12.951 20 HA ILE -6 HA ILE -6 -10.556 17.021 10.787 21 HB ILE -6 HB ILE -6 -11.394 17.928 13.017 22 1HG1 ILE -6 1HG1 ILE -6 -8.842 19.287 12.177 23 2HG1 ILE -6 2HG1 ILE -6 -10.220 19.215 11.076 24 1HG2 ILE -6 2HG2 ILE -6 -8.470 17.538 13.721 25 2HG2 ILE -6 3HG2 ILE -6 -9.643 18.425 14.693 26 3HG2 ILE -6 1HG2 ILE -6 -9.829 16.688 14.458 27 1HD1 ILE -6 1HD1 ILE -6 -11.652 20.247 12.810 28 2HD1 ILE -6 2HD1 ILE -6 -10.264 20.341 13.893 29 3HD1 ILE -6 3HD1 ILE -6 -10.287 21.288 12.405 30 H THR -5 H THR -5 -8.355 18.172 10.678 31 HA THR -5 HA THR -5 -6.252 16.095 10.747 32 HB THR -5 HB THR -5 -5.209 17.320 9.096 33 HG1 THR -5 HG1 THR -5 -6.296 19.790 9.698 34 1HG2 THR -5 3HG2 THR -5 -7.687 16.982 8.544 35 2HG2 THR -5 1HG2 THR -5 -7.892 18.693 8.916 36 3HG2 THR -5 2HG2 THR -5 -6.831 18.199 7.597 37 HA PRO -4 HA PRO -4 -4.099 17.783 14.175 38 1HB PRO -4 1HB PRO -4 -1.477 17.770 13.341 39 2HB PRO -4 2HB PRO -4 -2.382 16.304 13.756 40 1HG PRO -4 1HG PRO -4 -1.605 17.329 11.066 41 2HG PRO -4 2HG PRO -4 -1.934 15.666 11.581 42 1HD PRO -4 1HD PRO -4 -3.705 17.348 10.144 43 2HD PRO -4 2HD PRO -4 -4.125 15.807 10.920 44 H SER -3 H SER -3 -2.735 19.626 14.975 45 HA SER -3 HA SER -3 -3.411 22.089 13.622 46 1HB SER -3 1HB SER -3 -1.444 22.742 15.469 47 2HB SER -3 2HB SER -3 -3.177 22.709 15.781 48 HG SER -3 HG SER -3 -2.935 20.931 16.888 49 H SER -2 H SER -2 -0.302 20.404 14.172 50 HA SER -2 HA SER -2 0.696 21.356 11.604 51 1HB SER -2 1HB SER -2 2.646 22.572 12.587 52 2HB SER -2 2HB SER -2 1.110 23.367 12.912 53 HG SER -2 HG SER -2 2.317 23.235 14.805 54 H GLY -1 H GLY -1 3.149 20.668 11.453 55 1HA GLY -1 1HA GLY -1 4.135 18.633 13.224 56 2HA GLY -1 2HA GLY -1 3.321 17.880 11.853 57 H ASN 0 H ASN 0 5.345 17.027 11.103 58 HA ASN 0 HA ASN 0 7.185 19.090 9.960 59 1HB ASN 0 1HB ASN 0 8.933 17.332 10.038 60 2HB ASN 0 2HB ASN 0 8.279 17.663 11.641 61 1HD2 ASN 0 2HD2 ASN 0 7.746 14.181 11.960 62 2HD2 ASN 0 1HD2 ASN 0 8.530 15.557 12.565 63 H SER 1 H SER 1 4.686 17.227 9.057 64 HA SER 1 HA SER 1 5.614 15.708 6.833 65 1HB SER 1 1HB SER 1 3.406 15.206 7.148 66 2HB SER 1 2HB SER 1 3.028 16.816 7.752 67 HG SER 1 HG SER 1 3.247 15.902 5.088 68 H ALA 2 H ALA 2 5.951 16.284 4.657 69 HA ALA 2 HA ALA 2 6.525 17.723 2.887 70 1HB ALA 2 3HB ALA 2 4.061 18.665 3.979 71 2HB ALA 2 1HB ALA 2 5.058 20.073 3.613 72 3HB ALA 2 2HB ALA 2 4.685 18.905 2.347 73 H SER 3 H SER 3 7.814 17.882 5.663 74 HA SER 3 HA SER 3 9.484 19.174 6.689 75 1HB SER 3 1HB SER 3 9.667 20.818 4.178 76 2HB SER 3 2HB SER 3 10.959 20.304 5.260 77 HG SER 3 HG SER 3 9.884 18.104 4.425 78 H GLY 4 H GLY 4 7.943 20.163 8.134 79 1HA GLY 4 1HA GLY 4 6.987 22.860 7.286 80 2HA GLY 4 2HA GLY 4 6.271 21.904 8.581 81 H VAL 5 H VAL 5 9.308 21.323 9.248 82 HA VAL 5 HA VAL 5 9.564 22.843 11.538 83 HB VAL 5 HB VAL 5 11.400 21.549 11.515 84 1HG1 VAL 5 2HG1 VAL 5 11.133 21.758 8.542 85 2HG1 VAL 5 3HG1 VAL 5 12.648 21.160 9.222 86 3HG1 VAL 5 1HG1 VAL 5 11.135 20.320 9.564 87 1HG2 VAL 5 1HG2 VAL 5 12.330 23.828 11.608 88 2HG2 VAL 5 2HG2 VAL 5 13.450 22.708 10.832 89 3HG2 VAL 5 3HG2 VAL 5 12.501 23.822 9.850 90 H GLN 6 H GLN 6 10.794 24.782 12.013 91 HA GLN 6 HA GLN 6 11.053 26.719 9.790 92 1HB GLN 6 1HB GLN 6 9.602 28.307 10.988 93 2HB GLN 6 2HB GLN 6 8.736 26.804 10.618 94 1HG GLN 6 1HG GLN 6 9.992 26.178 12.929 95 2HG GLN 6 2HG GLN 6 9.554 27.868 13.211 96 1HE2 GLN 6 2HE2 GLN 6 6.504 25.241 12.392 97 2HE2 GLN 6 1HE2 GLN 6 8.004 25.025 11.638 98 H VAL 7 H VAL 7 13.177 25.649 11.552 99 HA VAL 7 HA VAL 7 14.952 26.496 12.860 100 HB VAL 7 HB VAL 7 13.763 29.148 12.129 101 1HG1 VAL 7 3HG1 VAL 7 15.977 28.423 13.704 102 2HG1 VAL 7 1HG1 VAL 7 16.654 28.932 12.159 103 3HG1 VAL 7 2HG1 VAL 7 15.625 30.031 13.076 104 1HG2 VAL 7 2HG2 VAL 7 14.335 27.285 10.303 105 2HG2 VAL 7 3HG2 VAL 7 14.657 28.996 10.015 106 3HG2 VAL 7 1HG2 VAL 7 15.961 27.929 10.540 107 H ALA 8 H ALA 8 15.328 27.136 14.857 108 HA ALA 8 HA ALA 8 12.946 27.466 16.609 109 1HB ALA 8 2HB ALA 8 15.115 25.726 16.473 110 2HB ALA 8 3HB ALA 8 15.516 26.782 17.822 111 3HB ALA 8 1HB ALA 8 14.004 25.860 17.841 112 H ASP 9 H ASP 9 15.463 29.271 15.351 113 HA ASP 9 HA ASP 9 16.271 31.404 15.922 114 1HB ASP 9 1HB ASP 9 14.629 31.064 18.452 115 2HB ASP 9 2HB ASP 9 15.605 32.472 18.065 116 H GLU 10 H GLU 10 16.422 28.529 17.782 117 HA GLU 10 HA GLU 10 18.620 29.203 19.486 118 1HB GLU 10 1HB GLU 10 17.564 27.262 20.205 119 2HB GLU 10 2HB GLU 10 17.158 26.761 18.572 120 1HG GLU 10 1HG GLU 10 18.750 25.200 19.086 121 2HG GLU 10 2HG GLU 10 19.778 26.439 18.381 122 H VAL 11 H VAL 11 18.078 28.691 16.141 123 HA VAL 11 HA VAL 11 20.636 27.731 15.255 124 HB VAL 11 HB VAL 11 20.076 29.221 13.178 125 1HG1 VAL 11 1HG1 VAL 11 19.424 26.681 13.785 126 2HG1 VAL 11 2HG1 VAL 11 17.816 27.377 13.563 127 3HG1 VAL 11 3HG1 VAL 11 19.003 27.463 12.263 128 1HG2 VAL 11 2HG2 VAL 11 18.527 30.684 14.513 129 2HG2 VAL 11 3HG2 VAL 11 17.843 30.054 13.020 130 3HG2 VAL 11 1HG2 VAL 11 17.396 29.331 14.564 131 H CYS 12 H CYS 12 19.353 30.924 16.102 132 HA CYS 12 HA CYS 12 21.907 32.224 15.428 133 1HB CYS 12 1HB CYS 12 19.442 33.187 15.382 134 2HB CYS 12 2HB CYS 12 19.776 33.533 17.078 135 HG CYS 12 HG CYS 12 22.070 34.718 15.969 136 H ARG 13 H ARG 13 21.501 30.141 17.618 137 HA ARG 13 HA ARG 13 23.049 31.566 19.724 138 1HB ARG 13 1HB ARG 13 21.652 30.899 21.420 139 2HB ARG 13 2HB ARG 13 20.443 30.829 20.142 140 1HG ARG 13 1HG ARG 13 20.202 28.701 21.000 141 2HG ARG 13 2HG ARG 13 21.467 28.383 19.814 142 1HD ARG 13 1HD ARG 13 22.667 27.567 21.546 143 2HD ARG 13 2HD ARG 13 22.897 29.253 22.011 144 HE ARG 13 HE ARG 13 21.137 27.326 23.341 145 1HH1 ARG 13 1HH2 ARG 13 19.407 29.681 22.712 146 2HH1 ARG 13 2HH2 ARG 13 19.661 30.703 24.088 147 1HH2 ARG 13 1HH1 ARG 13 22.520 29.045 25.131 148 2HH2 ARG 13 2HH1 ARG 13 21.421 30.343 25.456 149 H ILE 14 H ILE 14 22.956 29.227 17.427 150 HA ILE 14 HA ILE 14 24.879 27.538 18.905 151 HB ILE 14 HB ILE 14 23.554 26.905 16.268 152 1HG1 ILE 14 1HG1 ILE 14 22.630 25.420 18.660 153 2HG1 ILE 14 2HG1 ILE 14 22.079 27.097 18.549 154 1HG2 ILE 14 2HG2 ILE 14 25.713 25.853 17.646 155 2HG2 ILE 14 3HG2 ILE 14 24.381 24.752 18.064 156 3HG2 ILE 14 1HG2 ILE 14 24.799 25.024 16.374 157 1HD1 ILE 14 2HD1 ILE 14 21.950 25.681 15.974 158 2HD1 ILE 14 3HD1 ILE 14 20.929 24.952 17.215 159 3HD1 ILE 14 1HD1 ILE 14 20.720 26.649 16.784 160 H PHE 15 H PHE 15 24.110 28.678 15.662 161 HA PHE 15 HA PHE 15 26.791 28.705 14.633 162 1HB PHE 15 1HB PHE 15 25.531 29.247 12.791 163 2HB PHE 15 2HB PHE 15 24.128 29.569 13.824 164 HD1 PHE 15 HD2 PHE 15 27.321 31.101 12.635 165 HD2 PHE 15 HD1 PHE 15 23.388 31.722 14.210 166 HE1 PHE 15 HE2 PHE 15 27.587 33.552 12.321 167 HE2 PHE 15 HE1 PHE 15 23.647 34.165 13.920 168 HZ PHE 15 HZ PHE 15 25.748 35.087 12.968 169 H TYR 16 H TYR 16 24.678 30.850 16.327 170 HA TYR 16 HA TYR 16 25.977 33.290 16.459 171 1HB TYR 16 1HB TYR 16 24.140 33.516 17.755 172 2HB TYR 16 2HB TYR 16 24.046 31.758 18.001 173 HD1 TYR 16 HD1 TYR 16 25.435 30.678 19.734 174 HD2 TYR 16 HD2 TYR 16 25.107 34.936 19.435 175 HE1 TYR 16 HE1 TYR 16 26.321 30.887 22.021 176 HE2 TYR 16 HE2 TYR 16 25.992 35.163 21.744 177 HH TYR 16 HH TYR 16 27.583 33.541 23.270 178 H ASP 17 H ASP 17 26.730 30.273 18.214 179 HA ASP 17 HA ASP 17 28.679 31.756 19.879 180 1HB ASP 17 1HB ASP 17 27.186 29.533 20.354 181 2HB ASP 17 2HB ASP 17 28.714 28.794 19.895 182 H MET 18 H MET 18 30.470 29.260 19.753 183 HA MET 18 HA MET 18 32.370 28.643 18.520 184 1HB MET 18 1HB MET 18 30.399 29.401 16.465 185 2HB MET 18 2HB MET 18 32.036 28.939 15.999 186 1HG MET 18 1HG MET 18 30.601 26.951 16.073 187 2HG MET 18 2HG MET 18 31.815 26.869 17.333 188 1HE MET 18 3HE MET 18 30.260 25.077 17.442 189 2HE MET 18 1HE MET 18 30.528 25.269 19.186 190 3HE MET 18 2HE MET 18 28.891 25.008 18.542 191 H LYS 19 H LYS 19 33.469 29.937 16.190 192 HA LYS 19 HA LYS 19 34.673 31.753 15.462 193 1HB LYS 19 1HB LYS 19 32.813 33.154 17.332 194 2HB LYS 19 2HB LYS 19 34.260 33.982 16.743 195 1HG LYS 19 1HG LYS 19 32.674 34.533 15.105 196 2HG LYS 19 2HG LYS 19 33.486 33.139 14.396 197 1HD LYS 19 1HD LYS 19 31.692 31.684 14.908 198 2HD LYS 19 2HD LYS 19 31.010 32.802 16.089 199 1HE LYS 19 1HE LYS 19 31.245 33.840 13.315 200 2HE LYS 19 2HE LYS 19 30.053 32.564 13.561 201 1HZ LYS 19 1HZ LYS 19 29.355 33.958 15.576 202 2HZ LYS 19 2HZ LYS 19 30.200 35.225 14.824 203 3HZ LYS 19 3HZ LYS 19 28.889 34.489 14.033 204 H VAL 20 H VAL 20 36.629 31.746 15.833 205 HA VAL 20 HA VAL 20 38.046 30.980 18.097 206 HB VAL 20 HB VAL 20 39.126 30.945 15.996 207 1HG1 VAL 20 1HG1 VAL 20 37.610 33.238 15.514 208 2HG1 VAL 20 2HG1 VAL 20 39.280 33.820 15.484 209 3HG1 VAL 20 3HG1 VAL 20 38.785 32.515 14.406 210 1HG2 VAL 20 1HG2 VAL 20 40.233 32.961 17.922 211 2HG2 VAL 20 2HG2 VAL 20 40.907 31.422 17.397 212 3HG2 VAL 20 3HG2 VAL 20 40.981 32.824 16.335 213 H ARG 21 H ARG 21 37.767 34.330 16.976 214 HA ARG 21 HA ARG 21 38.852 35.268 19.536 215 1HB ARG 21 1HB ARG 21 38.622 36.319 16.836 216 2HB ARG 21 2HB ARG 21 38.119 37.508 18.037 217 1HG ARG 21 1HG ARG 21 40.242 37.837 18.707 218 2HG ARG 21 2HG ARG 21 40.497 36.106 18.925 219 1HD ARG 21 1HD ARG 21 40.662 36.061 16.312 220 2HD ARG 21 2HD ARG 21 40.966 37.790 16.477 221 HE ARG 21 HE ARG 21 43.056 36.183 16.686 222 1HH1 ARG 21 1HH2 ARG 21 42.182 38.680 18.581 223 2HH1 ARG 21 2HH2 ARG 21 42.966 38.152 20.032 224 1HH2 ARG 21 1HH1 ARG 21 43.620 34.963 18.833 225 2HH2 ARG 21 2HH1 ARG 21 43.782 36.047 20.175 226 H LYS 22 H LYS 22 35.864 34.264 18.920 227 HA LYS 22 HA LYS 22 34.366 36.621 19.810 228 1HB LYS 22 1HB LYS 22 32.827 35.416 18.657 229 2HB LYS 22 2HB LYS 22 33.743 33.923 18.824 230 1HG LYS 22 1HG LYS 22 32.517 33.239 20.609 231 2HG LYS 22 2HG LYS 22 32.494 34.840 21.340 232 1HD LYS 22 1HD LYS 22 30.912 34.527 18.851 233 2HD LYS 22 2HD LYS 22 30.292 33.711 20.288 234 1HE LYS 22 1HE LYS 22 30.905 36.071 21.405 235 2HE LYS 22 2HE LYS 22 30.612 36.628 19.757 236 1HZ LYS 22 1HZ LYS 22 28.683 34.773 20.931 237 2HZ LYS 22 2HZ LYS 22 28.677 36.374 21.500 238 3HZ LYS 22 3HZ LYS 22 28.433 36.055 19.849 239 H CYS 23 H CYS 23 35.074 33.409 21.235 240 HA CYS 23 HA CYS 23 33.940 33.671 23.717 241 1HB CYS 23 1HB CYS 23 36.134 32.506 24.588 242 2HB CYS 23 2HB CYS 23 34.994 31.664 23.534 243 HG CYS 23 HG CYS 23 36.573 32.229 21.495 244 H SER 24 H SER 24 33.905 35.512 24.972 245 HA SER 24 HA SER 24 35.736 37.607 25.160 246 1HB SER 24 1HB SER 24 33.562 36.741 26.680 247 2HB SER 24 2HB SER 24 34.910 36.682 27.821 248 HG SER 24 HG SER 24 33.597 38.771 27.308 249 H THR 25 H THR 25 35.551 35.055 27.420 250 HA THR 25 HA THR 25 38.463 34.575 27.318 251 HB THR 25 HB THR 25 37.560 35.895 29.431 252 HG1 THR 25 HG1 THR 25 39.334 35.163 30.263 253 1HG2 THR 25 1HG2 THR 25 35.630 34.373 29.639 254 2HG2 THR 25 2HG2 THR 25 36.762 33.058 30.008 255 3HG2 THR 25 3HG2 THR 25 36.610 34.430 31.114 256 HA PRO 26 HA PRO 26 36.116 31.069 26.072 257 1HB PRO 26 1HB PRO 26 38.318 29.443 25.542 258 2HB PRO 26 2HB PRO 26 37.684 30.678 24.440 259 1HG PRO 26 1HG PRO 26 40.084 30.793 26.223 260 2HG PRO 26 2HG PRO 26 39.796 31.595 24.667 261 1HD PRO 26 1HD PRO 26 39.575 32.853 27.173 262 2HD PRO 26 2HD PRO 26 38.827 33.437 25.672 263 H GLU 27 H GLU 27 38.199 31.220 28.816 264 HA GLU 27 HA GLU 27 38.213 28.600 29.812 265 1HB GLU 27 1HB GLU 27 38.377 31.265 30.936 266 2HB GLU 27 2HB GLU 27 37.439 30.209 31.992 267 1HG GLU 27 1HG GLU 27 39.741 28.785 30.979 268 2HG GLU 27 2HG GLU 27 40.254 30.291 31.738 269 H GLU 28 H GLU 28 35.485 30.573 29.037 270 HA GLU 28 HA GLU 28 33.682 28.619 30.238 271 1HB GLU 28 1HB GLU 28 32.290 31.028 29.931 272 2HB GLU 28 2HB GLU 28 32.867 30.370 31.462 273 1HG GLU 28 1HG GLU 28 34.965 31.579 31.253 274 2HG GLU 28 2HG GLU 28 34.542 32.136 29.629 275 H ILE 29 H ILE 29 34.523 30.851 27.670 276 HA ILE 29 HA ILE 29 32.505 29.532 26.044 277 HB ILE 29 HB ILE 29 32.677 31.506 24.523 278 1HG1 ILE 29 1HG1 ILE 29 34.881 32.177 25.946 279 2HG1 ILE 29 2HG1 ILE 29 33.812 33.402 25.305 280 1HG2 ILE 29 1HG2 ILE 29 31.824 30.975 27.308 281 2HG2 ILE 29 2HG2 ILE 29 31.504 32.637 26.731 282 3HG2 ILE 29 3HG2 ILE 29 30.811 31.261 25.865 283 1HD1 ILE 29 1HD1 ILE 29 33.585 32.219 28.051 284 2HD1 ILE 29 2HD1 ILE 29 34.310 33.774 27.679 285 3HD1 ILE 29 3HD1 ILE 29 32.600 33.514 27.386 286 H LYS 30 H LYS 30 33.814 28.144 26.505 287 HA LYS 30 HA LYS 30 35.044 26.863 24.362 288 1HB LYS 30 1HB LYS 30 37.263 27.209 24.732 289 2HB LYS 30 2HB LYS 30 36.762 28.522 25.791 290 1HG LYS 30 1HG LYS 30 36.655 27.006 27.698 291 2HG LYS 30 2HG LYS 30 37.057 25.644 26.659 292 1HD LYS 30 1HD LYS 30 38.925 27.953 26.575 293 2HD LYS 30 2HD LYS 30 38.939 26.975 28.047 294 1HE LYS 30 1HE LYS 30 38.967 24.956 26.361 295 2HE LYS 30 2HE LYS 30 39.574 26.162 25.228 296 1HZ LYS 30 2HZ LYS 30 40.980 26.545 27.566 297 2HZ LYS 30 3HZ LYS 30 40.929 24.861 27.348 298 3HZ LYS 30 1HZ LYS 30 41.559 25.861 26.127 299 H LYS 31 H LYS 31 34.298 27.341 27.755 300 HA LYS 31 HA LYS 31 34.078 24.363 28.063 301 1HB LYS 31 1HB LYS 31 35.707 25.546 29.586 302 2HB LYS 31 2HB LYS 31 34.333 26.407 30.284 303 1HG LYS 31 1HG LYS 31 34.270 24.625 31.715 304 2HG LYS 31 2HG LYS 31 33.414 23.848 30.385 305 1HD LYS 31 1HD LYS 31 35.208 22.383 31.132 306 2HD LYS 31 2HD LYS 31 35.600 22.998 29.525 307 1HE LYS 31 1HE LYS 31 37.603 23.458 30.551 308 2HE LYS 31 2HE LYS 31 36.741 24.931 30.997 309 1HZ LYS 31 3HZ LYS 31 36.076 22.965 32.856 310 2HZ LYS 31 1HZ LYS 31 37.766 22.931 32.679 311 3HZ LYS 31 2HZ LYS 31 36.984 24.375 33.110 312 H ARG 32 H ARG 32 32.097 26.481 27.000 313 HA ARG 32 HA ARG 32 29.899 25.898 28.984 314 1HB ARG 32 1HB ARG 32 30.611 28.315 27.488 315 2HB ARG 32 2HB ARG 32 28.918 27.893 27.443 316 1HG ARG 32 1HG ARG 32 28.799 29.009 29.427 317 2HG ARG 32 2HG ARG 32 29.449 27.514 30.094 318 1HD ARG 32 1HD ARG 32 31.728 28.398 29.951 319 2HD ARG 32 2HD ARG 32 31.137 29.857 29.159 320 HE ARG 32 HE ARG 32 30.505 30.669 31.281 321 1HH1 ARG 32 1HH1 ARG 32 32.182 27.844 31.735 322 2HH1 ARG 32 2HH1 ARG 32 31.452 27.422 33.248 323 1HH2 ARG 32 1HH2 ARG 32 29.004 29.874 33.052 324 2HH2 ARG 32 2HH2 ARG 32 29.649 28.570 33.992 325 H LYS 33 H LYS 33 30.589 24.118 26.963 326 HA LYS 33 HA LYS 33 29.781 22.960 25.062 327 1HB LYS 33 1HB LYS 33 27.899 22.040 25.894 328 2HB LYS 33 2HB LYS 33 27.747 23.367 27.037 329 1HG LYS 33 1HG LYS 33 26.466 24.672 25.457 330 2HG LYS 33 2HG LYS 33 26.762 23.496 24.174 331 1HD LYS 33 1HD LYS 33 25.423 21.836 25.262 332 2HD LYS 33 2HD LYS 33 25.353 22.775 26.754 333 1HE LYS 33 1HE LYS 33 24.387 24.357 24.532 334 2HE LYS 33 2HE LYS 33 23.503 22.834 24.629 335 1HZ LYS 33 3HZ LYS 33 23.186 23.282 27.026 336 2HZ LYS 33 1HZ LYS 33 23.885 24.815 26.806 337 3HZ LYS 33 2HZ LYS 33 22.431 24.427 26.024 338 H LYS 34 H LYS 34 30.213 23.802 23.164 339 HA LYS 34 HA LYS 34 28.475 25.992 22.145 340 1HB LYS 34 1HB LYS 34 31.367 25.571 21.360 341 2HB LYS 34 2HB LYS 34 30.354 26.984 21.049 342 1HG LYS 34 1HG LYS 34 30.496 27.741 23.239 343 2HG LYS 34 2HG LYS 34 30.808 26.128 23.884 344 1HD LYS 34 1HD LYS 34 32.994 26.643 23.901 345 2HD LYS 34 2HD LYS 34 32.939 26.643 22.136 346 1HE LYS 34 1HE LYS 34 32.375 29.022 23.929 347 2HE LYS 34 2HE LYS 34 33.822 28.781 22.951 348 1HZ LYS 34 1HZ LYS 34 31.347 28.533 21.491 349 2HZ LYS 34 2HZ LYS 34 31.624 30.085 22.125 350 3HZ LYS 34 3HZ LYS 34 32.767 29.377 21.092 351 H ALA 35 H ALA 35 30.801 23.459 21.087 352 HA ALA 35 HA ALA 35 29.778 23.053 18.503 353 1HB ALA 35 3HB ALA 35 30.917 21.077 20.495 354 2HB ALA 35 1HB ALA 35 30.591 20.698 18.809 355 3HB ALA 35 2HB ALA 35 31.816 21.901 19.229 356 H VAL 36 H VAL 36 28.031 21.597 17.910 357 HA VAL 36 HA VAL 36 26.428 20.509 20.123 358 HB VAL 36 HB VAL 36 24.635 22.223 19.282 359 1HG1 VAL 36 3HG1 VAL 36 25.914 21.874 21.608 360 2HG1 VAL 36 1HG1 VAL 36 26.526 23.470 21.190 361 3HG1 VAL 36 2HG1 VAL 36 24.790 23.202 21.341 362 1HG2 VAL 36 1HG2 VAL 36 27.267 23.491 18.589 363 2HG2 VAL 36 2HG2 VAL 36 25.779 23.450 17.665 364 3HG2 VAL 36 3HG2 VAL 36 25.908 24.486 19.090 365 H ILE 37 H ILE 37 25.162 18.899 19.246 366 HA ILE 37 HA ILE 37 24.188 19.440 16.555 367 HB ILE 37 HB ILE 37 24.110 16.619 17.217 368 1HG1 ILE 37 1HG1 ILE 37 26.868 17.745 16.729 369 2HG1 ILE 37 2HG1 ILE 37 26.310 17.698 18.392 370 1HG2 ILE 37 3HG2 ILE 37 24.762 18.683 15.247 371 2HG2 ILE 37 1HG2 ILE 37 25.595 17.164 14.995 372 3HG2 ILE 37 2HG2 ILE 37 23.820 17.216 15.008 373 1HD1 ILE 37 3HD1 ILE 37 25.745 15.176 17.174 374 2HD1 ILE 37 1HD1 ILE 37 27.435 15.589 16.877 375 3HD1 ILE 37 2HD1 ILE 37 26.816 15.533 18.525 376 H PHE 38 H PHE 38 22.248 20.013 16.588 377 HA PHE 38 HA PHE 38 20.385 18.828 18.609 378 1HB PHE 38 1HB PHE 38 19.096 20.950 18.136 379 2HB PHE 38 2HB PHE 38 20.598 21.114 19.073 380 HD1 PHE 38 HD2 PHE 38 22.698 21.930 18.004 381 HD2 PHE 38 HD1 PHE 38 18.951 21.847 15.918 382 HE1 PHE 38 HE2 PHE 38 23.638 23.427 16.265 383 HE2 PHE 38 HE1 PHE 38 19.892 23.337 14.170 384 HZ PHE 38 HZ PHE 38 22.235 24.127 14.343 385 H CYS 39 H CYS 39 17.921 19.313 17.581 386 HA CYS 39 HA CYS 39 18.114 18.683 14.677 387 1HB CYS 39 1HB CYS 39 16.142 16.952 15.306 388 2HB CYS 39 2HB CYS 39 17.838 16.478 15.208 389 HG CYS 39 HG CYS 39 17.834 17.117 17.914 390 H LEU 40 H LEU 40 15.367 18.645 17.007 391 HA LEU 40 HA LEU 40 14.181 20.959 15.592 392 1HB LEU 40 1HB LEU 40 12.932 18.203 15.441 393 2HB LEU 40 2HB LEU 40 12.162 19.689 14.896 394 HG LEU 40 HG LEU 40 14.800 18.648 13.829 395 1HD1 LEU 40 1HD1 LEU 40 12.892 17.184 13.252 396 2HD1 LEU 40 2HD1 LEU 40 12.057 18.578 12.566 397 3HD1 LEU 40 3HD1 LEU 40 13.561 18.004 11.842 398 1HD2 LEU 40 2HD2 LEU 40 13.951 21.205 13.816 399 2HD2 LEU 40 3HD2 LEU 40 14.847 20.501 12.469 400 3HD2 LEU 40 1HD2 LEU 40 13.089 20.618 12.395 401 H SER 41 H SER 41 12.259 21.794 16.554 402 HA SER 41 HA SER 41 12.123 21.838 19.347 403 1HB SER 41 1HB SER 41 10.440 23.340 19.056 404 2HB SER 41 2HB SER 41 10.936 23.254 17.367 405 HG SER 41 HG SER 41 8.758 22.860 17.428 406 H ALA 42 H ALA 42 9.883 21.302 20.509 407 HA ALA 42 HA ALA 42 9.638 18.434 20.562 408 1HB ALA 42 3HB ALA 42 8.597 20.681 22.062 409 2HB ALA 42 1HB ALA 42 7.299 19.546 21.700 410 3HB ALA 42 2HB ALA 42 8.737 18.993 22.557 411 H ASP 43 H ASP 43 8.098 17.129 19.565 412 HA ASP 43 HA ASP 43 6.232 16.584 18.209 413 1HB ASP 43 1HB ASP 43 5.262 18.820 19.129 414 2HB ASP 43 2HB ASP 43 5.811 19.509 17.600 415 H LYS 44 H LYS 44 8.933 18.485 17.434 416 HA LYS 44 HA LYS 44 10.321 18.373 15.576 417 1HB LYS 44 1HB LYS 44 8.546 16.191 15.170 418 2HB LYS 44 2HB LYS 44 8.686 17.050 13.636 419 1HG LYS 44 1HG LYS 44 10.433 15.298 13.896 420 2HG LYS 44 2HG LYS 44 11.125 16.913 13.747 421 1HD LYS 44 1HD LYS 44 12.311 16.172 15.583 422 2HD LYS 44 2HD LYS 44 10.908 16.844 16.410 423 1HE LYS 44 1HE LYS 44 10.468 14.815 17.274 424 2HE LYS 44 2HE LYS 44 10.233 14.190 15.640 425 1HZ LYS 44 1HZ LYS 44 12.715 13.981 15.537 426 2HZ LYS 44 2HZ LYS 44 12.745 14.283 17.205 427 3HZ LYS 44 3HZ LYS 44 11.936 12.915 16.605 428 H LYS 45 H LYS 45 10.451 20.351 14.970 429 HA LYS 45 HA LYS 45 9.045 21.333 12.665 430 1HB LYS 45 1HB LYS 45 8.449 22.171 15.491 431 2HB LYS 45 2HB LYS 45 8.281 23.359 14.189 432 1HG LYS 45 1HG LYS 45 6.901 21.420 13.041 433 2HG LYS 45 2HG LYS 45 6.716 20.868 14.705 434 1HD LYS 45 1HD LYS 45 6.272 23.722 14.554 435 2HD LYS 45 2HD LYS 45 5.216 22.877 13.422 436 1HE LYS 45 1HE LYS 45 4.058 22.981 15.534 437 2HE LYS 45 2HE LYS 45 4.590 21.315 15.308 438 1HZ LYS 45 3HZ LYS 45 6.563 21.856 16.659 439 2HZ LYS 45 1HZ LYS 45 5.915 23.393 16.963 440 3HZ LYS 45 2HZ LYS 45 5.108 22.007 17.523 441 H CYS 46 H CYS 46 9.790 24.014 14.205 442 HA CYS 46 HA CYS 46 11.984 25.108 13.235 443 1HB CYS 46 1HB CYS 46 11.725 24.617 16.227 444 2HB CYS 46 2HB CYS 46 12.665 25.904 15.471 445 HG CYS 46 HG CYS 46 9.552 25.809 15.675 446 H ILE 47 H ILE 47 14.221 24.994 13.443 447 HA ILE 47 HA ILE 47 15.476 22.445 13.839 448 HB ILE 47 HB ILE 47 16.230 24.965 12.931 449 1HG1 ILE 47 1HG1 ILE 47 18.600 23.901 12.996 450 2HG1 ILE 47 2HG1 ILE 47 17.760 22.480 13.634 451 1HG2 ILE 47 1HG2 ILE 47 16.456 25.640 15.319 452 2HG2 ILE 47 2HG2 ILE 47 17.738 24.429 15.491 453 3HG2 ILE 47 3HG2 ILE 47 17.950 25.770 14.392 454 1HD1 ILE 47 2HD1 ILE 47 16.112 23.103 11.587 455 2HD1 ILE 47 3HD1 ILE 47 17.638 23.724 10.930 456 3HD1 ILE 47 1HD1 ILE 47 17.513 22.012 11.416 457 H ILE 48 H ILE 48 17.282 22.750 16.023 458 HA ILE 48 HA ILE 48 15.985 24.123 18.210 459 HB ILE 48 HB ILE 48 14.550 22.026 17.399 460 1HG1 ILE 48 1HG1 ILE 48 15.015 23.335 19.995 461 2HG1 ILE 48 2HG1 ILE 48 13.503 23.014 19.155 462 1HG2 ILE 48 2HG2 ILE 48 16.759 20.661 17.902 463 2HG2 ILE 48 3HG2 ILE 48 16.154 20.667 19.551 464 3HG2 ILE 48 1HG2 ILE 48 15.196 19.968 18.267 465 1HD1 ILE 48 2HD1 ILE 48 15.109 20.928 20.671 466 2HD1 ILE 48 3HD1 ILE 48 13.681 21.751 21.304 467 3HD1 ILE 48 1HD1 ILE 48 13.537 20.684 19.909 468 H VAL 49 H VAL 49 16.544 22.316 20.186 469 HA VAL 49 HA VAL 49 19.189 21.227 20.012 470 HB VAL 49 HB VAL 49 19.796 23.555 20.521 471 1HG1 VAL 49 3HG1 VAL 49 17.477 23.782 21.811 472 2HG1 VAL 49 1HG1 VAL 49 18.467 23.305 23.191 473 3HG1 VAL 49 2HG1 VAL 49 18.872 24.756 22.275 474 1HG2 VAL 49 3HG2 VAL 49 20.254 21.155 22.142 475 2HG2 VAL 49 1HG2 VAL 49 21.422 22.348 21.556 476 3HG2 VAL 49 2HG2 VAL 49 20.548 22.642 23.062 477 H GLU 50 H GLU 50 17.535 19.548 20.373 478 HA GLU 50 HA GLU 50 17.274 19.033 23.252 479 1HB GLU 50 1HB GLU 50 15.129 20.198 22.391 480 2HB GLU 50 2HB GLU 50 14.852 18.717 21.474 481 1HG GLU 50 1HG GLU 50 13.931 17.811 23.316 482 2HG GLU 50 2HG GLU 50 15.509 17.898 24.098 483 H GLU 51 H GLU 51 18.874 17.588 22.733 484 HA GLU 51 HA GLU 51 17.862 15.023 21.903 485 1HB GLU 51 1HB GLU 51 18.348 15.089 19.686 486 2HB GLU 51 2HB GLU 51 18.489 16.846 19.952 487 1HG GLU 51 1HG GLU 51 20.527 16.361 18.985 488 2HG GLU 51 2HG GLU 51 20.927 16.227 20.697 489 H GLY 52 H GLY 52 20.509 17.044 22.726 490 1HA GLY 52 1HA GLY 52 22.142 16.525 24.398 491 2HA GLY 52 2HA GLY 52 21.766 14.818 24.191 492 H LYS 53 H LYS 53 23.155 17.522 22.257 493 HA LYS 53 HA LYS 53 25.389 15.741 21.570 494 1HB LYS 53 1HB LYS 53 24.167 17.394 19.389 495 2HB LYS 53 2HB LYS 53 25.248 16.034 19.264 496 1HG LYS 53 1HG LYS 53 22.720 15.334 20.541 497 2HG LYS 53 2HG LYS 53 22.524 15.915 18.894 498 1HD LYS 53 1HD LYS 53 22.868 13.508 18.842 499 2HD LYS 53 2HD LYS 53 24.284 14.303 18.154 500 1HE LYS 53 1HE LYS 53 25.553 13.230 19.672 501 2HE LYS 53 2HE LYS 53 24.752 14.151 20.931 502 1HZ LYS 53 3HZ LYS 53 23.596 11.677 19.790 503 2HZ LYS 53 1HZ LYS 53 24.618 11.670 21.148 504 3HZ LYS 53 2HZ LYS 53 23.130 12.489 21.204 505 H GLU 54 H GLU 54 27.197 16.835 21.744 506 HA GLU 54 HA GLU 54 27.699 19.522 20.969 507 1HB GLU 54 1HB GLU 54 26.485 20.521 22.644 508 2HB GLU 54 2HB GLU 54 26.554 19.101 23.681 509 1HG GLU 54 1HG GLU 54 29.106 20.570 23.166 510 2HG GLU 54 2HG GLU 54 27.936 21.300 24.258 511 H ILE 55 H ILE 55 29.944 19.658 20.879 512 HA ILE 55 HA ILE 55 31.546 17.585 22.173 513 HB ILE 55 HB ILE 55 31.775 19.066 19.852 514 1HG1 ILE 55 1HG1 ILE 55 33.958 17.713 21.267 515 2HG1 ILE 55 2HG1 ILE 55 32.577 16.818 20.589 516 1HG2 ILE 55 3HG2 ILE 55 33.614 20.193 21.913 517 2HG2 ILE 55 1HG2 ILE 55 34.323 19.677 20.409 518 3HG2 ILE 55 2HG2 ILE 55 33.049 20.890 20.394 519 1HD1 ILE 55 2HD1 ILE 55 33.137 18.420 18.540 520 2HD1 ILE 55 3HD1 ILE 55 34.763 18.284 19.211 521 3HD1 ILE 55 1HD1 ILE 55 33.892 16.842 18.701 522 H LEU 56 H LEU 56 31.780 20.973 22.027 523 HA LEU 56 HA LEU 56 31.590 22.522 23.785 524 1HB LEU 56 1HB LEU 56 31.311 20.726 25.518 525 2HB LEU 56 2HB LEU 56 33.064 20.529 25.499 526 HG LEU 56 HG LEU 56 31.608 22.339 27.055 527 1HD1 LEU 56 3HD1 LEU 56 34.092 21.262 26.972 528 2HD1 LEU 56 1HD1 LEU 56 34.460 22.930 26.557 529 3HD1 LEU 56 2HD1 LEU 56 33.630 22.566 28.065 530 1HD2 LEU 56 2HD2 LEU 56 31.484 23.723 24.879 531 2HD2 LEU 56 3HD2 LEU 56 32.148 24.540 26.290 532 3HD2 LEU 56 1HD2 LEU 56 33.217 23.948 25.045 533 H VAL 57 H VAL 57 33.443 22.087 21.627 534 HA VAL 57 HA VAL 57 35.746 22.400 21.099 535 HB VAL 57 HB VAL 57 35.835 24.634 20.683 536 1HG1 VAL 57 3HG1 VAL 57 33.023 24.279 21.749 537 2HG1 VAL 57 1HG1 VAL 57 33.536 25.598 20.697 538 3HG1 VAL 57 2HG1 VAL 57 33.582 23.937 20.111 539 1HG2 VAL 57 1HG2 VAL 57 36.361 25.323 23.051 540 2HG2 VAL 57 2HG2 VAL 57 35.299 26.452 22.222 541 3HG2 VAL 57 3HG2 VAL 57 34.629 25.329 23.405 542 H GLY 58 H GLY 58 35.527 24.059 24.324 543 1HA GLY 58 1HA GLY 58 38.234 23.813 24.992 544 2HA GLY 58 2HA GLY 58 36.931 23.813 26.185 545 H ASP 59 H ASP 59 35.570 21.495 25.607 546 HA ASP 59 HA ASP 59 36.827 19.432 26.919 547 1HB ASP 59 1HB ASP 59 34.760 19.496 24.750 548 2HB ASP 59 2HB ASP 59 35.554 17.948 25.056 549 H VAL 60 H VAL 60 36.975 20.138 23.454 550 HA VAL 60 HA VAL 60 38.522 18.159 22.407 551 HB VAL 60 HB VAL 60 39.081 21.115 22.034 552 1HG1 VAL 60 1HG1 VAL 60 40.687 19.214 21.174 553 2HG1 VAL 60 2HG1 VAL 60 39.434 18.983 19.951 554 3HG1 VAL 60 3HG1 VAL 60 40.244 20.545 20.105 555 1HG2 VAL 60 1HG2 VAL 60 36.676 20.413 21.671 556 2HG2 VAL 60 2HG2 VAL 60 37.469 21.022 20.221 557 3HG2 VAL 60 3HG2 VAL 60 37.253 19.286 20.442 558 H GLY 61 H GLY 61 39.933 17.137 23.761 559 1HA GLY 61 1HA GLY 61 42.488 17.232 24.013 560 2HA GLY 61 2HA GLY 61 42.194 18.733 24.892 561 H VAL 62 H VAL 62 39.654 16.753 25.504 562 HA VAL 62 HA VAL 62 40.881 15.598 27.966 563 HB VAL 62 HB VAL 62 38.128 16.747 27.404 564 1HG1 VAL 62 1HG1 VAL 62 39.077 14.983 29.663 565 2HG1 VAL 62 2HG1 VAL 62 37.658 16.020 29.800 566 3HG1 VAL 62 3HG1 VAL 62 37.695 14.733 28.593 567 1HG2 VAL 62 2HG2 VAL 62 39.891 18.328 28.076 568 2HG2 VAL 62 3HG2 VAL 62 38.667 18.173 29.336 569 3HG2 VAL 62 1HG2 VAL 62 40.222 17.355 29.510 570 H THR 63 H THR 63 37.657 15.075 26.700 571 HA THR 63 HA THR 63 38.248 12.235 26.265 572 HB THR 63 HB THR 63 35.708 13.767 25.663 573 HG1 THR 63 HG1 THR 63 36.114 14.084 27.812 574 1HG2 THR 63 1HG2 THR 63 36.507 11.135 25.192 575 2HG2 THR 63 2HG2 THR 63 35.474 11.040 26.615 576 3HG2 THR 63 3HG2 THR 63 34.860 11.760 25.128 577 H ILE 64 H ILE 64 38.440 15.226 24.668 578 HA ILE 64 HA ILE 64 38.377 13.860 22.021 579 HB ILE 64 HB ILE 64 38.061 16.621 21.586 580 1HG1 ILE 64 1HG1 ILE 64 36.500 15.614 23.985 581 2HG1 ILE 64 2HG1 ILE 64 37.325 17.159 23.792 582 1HG2 ILE 64 2HG2 ILE 64 36.098 14.328 21.670 583 2HG2 ILE 64 3HG2 ILE 64 35.862 15.839 20.784 584 3HG2 ILE 64 1HG2 ILE 64 37.162 14.740 20.309 585 1HD1 ILE 64 3HD1 ILE 64 34.947 16.390 22.076 586 2HD1 ILE 64 1HD1 ILE 64 34.742 17.184 23.631 587 3HD1 ILE 64 2HD1 ILE 64 35.611 18.004 22.339 588 H THR 65 H THR 65 39.583 16.200 20.668 589 HA THR 65 HA THR 65 42.130 16.674 22.025 590 HB THR 65 HB THR 65 43.124 15.466 19.778 591 HG1 THR 65 HG1 THR 65 42.052 13.384 19.893 592 1HG2 THR 65 3HG2 THR 65 42.925 14.888 22.660 593 2HG2 THR 65 1HG2 THR 65 43.272 13.480 21.656 594 3HG2 THR 65 2HG2 THR 65 44.338 14.883 21.607 595 H ASP 66 H ASP 66 40.203 17.037 19.094 596 HA ASP 66 HA ASP 66 40.875 19.671 18.595 597 1HB ASP 66 1HB ASP 66 43.089 19.680 18.305 598 2HB ASP 66 2HB ASP 66 43.141 17.916 18.276 599 HA PRO 67 HA PRO 67 39.967 17.774 14.360 600 1HB PRO 67 1HB PRO 67 39.446 15.076 14.211 601 2HB PRO 67 2HB PRO 67 41.061 15.772 14.094 602 1HG PRO 67 1HG PRO 67 39.862 14.255 16.341 603 2HG PRO 67 2HG PRO 67 41.569 14.518 15.948 604 1HD PRO 67 1HD PRO 67 39.993 15.902 17.921 605 2HD PRO 67 2HD PRO 67 41.687 16.230 17.485 606 H PHE 68 H PHE 68 37.904 15.168 14.719 607 HA PHE 68 HA PHE 68 35.644 16.647 15.877 608 1HB PHE 68 1HB PHE 68 34.456 17.033 13.924 609 2HB PHE 68 2HB PHE 68 36.105 17.248 13.328 610 HD1 PHE 68 HD1 PHE 68 37.343 15.088 12.570 611 HD2 PHE 68 HD2 PHE 68 33.082 15.442 12.886 612 HE1 PHE 68 HE1 PHE 68 37.072 13.109 11.114 613 HE2 PHE 68 HE2 PHE 68 32.826 13.455 11.443 614 HZ PHE 68 HZ PHE 68 34.801 12.296 10.541 615 H LYS 69 H LYS 69 36.925 13.775 14.289 616 HA LYS 69 HA LYS 69 34.961 11.923 14.129 617 1HB LYS 69 1HB LYS 69 36.517 10.228 14.749 618 2HB LYS 69 2HB LYS 69 37.448 11.515 13.976 619 1HG LYS 69 1HG LYS 69 37.853 12.478 16.248 620 2HG LYS 69 2HG LYS 69 37.113 11.034 16.930 621 1HD LYS 69 1HD LYS 69 39.766 11.380 15.700 622 2HD LYS 69 2HD LYS 69 39.219 10.193 16.885 623 1HE LYS 69 1HE LYS 69 37.943 9.062 15.006 624 2HE LYS 69 2HE LYS 69 38.793 10.129 13.888 625 1HZ LYS 69 1HZ LYS 69 40.695 9.035 15.594 626 2HZ LYS 69 2HZ LYS 69 39.703 7.752 15.088 627 3HZ LYS 69 3HZ LYS 69 40.486 8.728 13.939 628 H HIS 70 H HIS 70 36.357 12.915 17.290 629 HA HIS 70 HA HIS 70 34.768 11.213 18.884 630 1HB HIS 70 1HB HIS 70 36.074 12.374 20.313 631 2HB HIS 70 2HB HIS 70 36.049 13.820 19.292 632 HD1 HIS 70 HD1 HIS 70 33.851 11.951 21.744 633 HD2 HIS 70 HD2 HIS 70 34.087 15.664 19.923 634 HE1 HIS 70 HE1 HIS 70 32.116 13.422 22.823 635 H PHE 71 H PHE 71 34.037 14.568 17.917 636 HA PHE 71 HA PHE 71 31.461 14.704 18.977 637 1HB PHE 71 1HB PHE 71 32.103 16.787 18.295 638 2HB PHE 71 2HB PHE 71 33.070 16.161 16.970 639 HD1 PHE 71 HD1 PHE 71 31.767 15.349 14.863 640 HD2 PHE 71 HD2 PHE 71 30.083 17.822 17.930 641 HE1 PHE 71 HE1 PHE 71 30.038 16.152 13.275 642 HE2 PHE 71 HE2 PHE 71 28.362 18.620 16.360 643 HZ PHE 71 HZ PHE 71 28.331 17.788 14.023 644 H VAL 72 H VAL 72 32.598 12.991 16.200 645 HA VAL 72 HA VAL 72 30.043 12.723 14.870 646 HB VAL 72 HB VAL 72 31.160 11.421 13.366 647 1HG1 VAL 72 1HG1 VAL 72 33.409 12.786 14.766 648 2HG1 VAL 72 2HG1 VAL 72 33.472 12.121 13.143 649 3HG1 VAL 72 3HG1 VAL 72 32.389 13.464 13.507 650 1HG2 VAL 72 2HG2 VAL 72 32.452 10.162 15.701 651 2HG2 VAL 72 3HG2 VAL 72 31.724 9.420 14.291 652 3HG2 VAL 72 1HG2 VAL 72 33.332 10.128 14.189 653 H GLY 73 H GLY 73 31.928 10.969 17.176 654 1HA GLY 73 1HA GLY 73 30.317 8.686 17.563 655 2HA GLY 73 2HA GLY 73 31.252 9.459 18.854 656 H MET 74 H MET 74 29.971 12.062 18.582 657 HA MET 74 HA MET 74 27.674 11.652 20.279 658 1HB MET 74 1HB MET 74 28.403 14.110 18.663 659 2HB MET 74 2HB MET 74 27.354 14.052 20.078 660 1HG MET 74 1HG MET 74 29.396 13.111 21.345 661 2HG MET 74 2HG MET 74 30.353 13.650 19.965 662 1HE MET 74 3HE MET 74 29.766 15.605 18.803 663 2HE MET 74 1HE MET 74 29.439 17.203 19.497 664 3HE MET 74 2HE MET 74 31.046 16.471 19.679 665 H LEU 75 H LEU 75 28.189 12.453 16.883 666 HA LEU 75 HA LEU 75 25.378 12.471 16.168 667 1HB LEU 75 1HB LEU 75 27.677 11.883 14.298 668 2HB LEU 75 2HB LEU 75 26.147 12.652 13.919 669 HG LEU 75 HG LEU 75 27.993 13.946 15.898 670 1HD1 LEU 75 2HD1 LEU 75 28.609 13.344 13.161 671 2HD1 LEU 75 3HD1 LEU 75 28.328 15.078 13.302 672 3HD1 LEU 75 1HD1 LEU 75 29.548 14.299 14.306 673 1HD2 LEU 75 1HD2 LEU 75 25.607 14.724 15.411 674 2HD2 LEU 75 2HD2 LEU 75 26.867 15.933 15.171 675 3HD2 LEU 75 3HD2 LEU 75 26.161 15.112 13.782 676 HA PRO 76 HA PRO 76 25.410 7.956 16.107 677 1HB PRO 76 1HB PRO 76 22.707 7.700 16.451 678 2HB PRO 76 2HB PRO 76 23.820 7.987 17.797 679 1HG PRO 76 1HG PRO 76 21.873 9.854 16.566 680 2HG PRO 76 2HG PRO 76 22.626 9.919 18.167 681 1HD PRO 76 1HD PRO 76 23.360 11.425 15.832 682 2HD PRO 76 2HD PRO 76 24.164 11.430 17.411 683 H GLU 77 H GLU 77 23.141 6.703 14.918 684 HA GLU 77 HA GLU 77 23.237 7.839 12.161 685 1HB GLU 77 1HB GLU 77 22.487 5.009 12.653 686 2HB GLU 77 2HB GLU 77 23.433 5.708 11.335 687 1HG GLU 77 1HG GLU 77 25.348 6.008 12.838 688 2HG GLU 77 2HG GLU 77 24.409 5.354 14.182 689 H LYS 78 H LYS 78 21.335 7.209 14.854 690 HA LYS 78 HA LYS 78 18.804 6.976 13.329 691 1HB LYS 78 1HB LYS 78 17.839 6.092 15.252 692 2HB LYS 78 2HB LYS 78 19.498 5.514 15.389 693 1HG LYS 78 1HG LYS 78 18.502 8.071 16.669 694 2HG LYS 78 2HG LYS 78 18.583 6.527 17.503 695 1HD LYS 78 1HD LYS 78 21.090 6.582 16.567 696 2HD LYS 78 2HD LYS 78 20.805 8.322 16.620 697 1HE LYS 78 1HE LYS 78 21.791 7.181 18.728 698 2HE LYS 78 2HE LYS 78 20.459 8.313 18.951 699 1HZ LYS 78 1HZ LYS 78 19.840 5.485 18.506 700 2HZ LYS 78 2HZ LYS 78 20.410 5.955 20.035 701 3HZ LYS 78 3HZ LYS 78 18.992 6.646 19.403 702 H ASP 79 H ASP 79 20.594 9.517 13.998 703 HA ASP 79 HA ASP 79 18.264 11.245 14.471 704 1HB ASP 79 1HB ASP 79 20.724 11.304 16.261 705 2HB ASP 79 2HB ASP 79 19.381 12.450 16.343 706 H CYS 80 H CYS 80 18.455 12.759 12.908 707 HA CYS 80 HA CYS 80 20.913 13.128 11.427 708 1HB CYS 80 1HB CYS 80 18.352 14.772 11.485 709 2HB CYS 80 2HB CYS 80 19.662 15.012 10.333 710 HG CYS 80 HG CYS 80 18.401 12.185 10.428 711 H ARG 81 H ARG 81 19.160 15.850 12.683 712 HA ARG 81 HA ARG 81 19.688 17.545 14.131 713 1HB ARG 81 1HB ARG 81 21.782 15.545 14.983 714 2HB ARG 81 2HB ARG 81 21.720 17.160 15.669 715 1HG ARG 81 1HG ARG 81 20.465 15.679 17.104 716 2HG ARG 81 2HG ARG 81 19.330 16.744 16.284 717 1HD ARG 81 1HD ARG 81 18.841 14.987 14.637 718 2HD ARG 81 2HD ARG 81 20.012 13.922 15.411 719 HE ARG 81 HE ARG 81 18.389 14.415 17.497 720 1HH1 ARG 81 1HH1 ARG 81 16.990 14.889 14.498 721 2HH1 ARG 81 2HH1 ARG 81 15.766 13.677 14.675 722 1HH2 ARG 81 1HH2 ARG 81 17.077 12.401 17.619 723 2HH2 ARG 81 2HH2 ARG 81 15.818 12.266 16.437 724 H TYR 82 H TYR 82 20.541 19.447 13.471 725 HA TYR 82 HA TYR 82 22.795 19.415 11.639 726 1HB TYR 82 1HB TYR 82 21.125 21.634 12.824 727 2HB TYR 82 2HB TYR 82 22.495 21.932 11.757 728 HD1 TYR 82 HD2 TYR 82 22.195 19.520 9.985 729 HD2 TYR 82 HD1 TYR 82 19.327 22.334 11.402 730 HE1 TYR 82 HE2 TYR 82 20.799 19.040 8.012 731 HE2 TYR 82 HE1 TYR 82 17.874 21.846 9.429 732 HH TYR 82 HH TYR 82 17.510 20.087 7.846 733 H ALA 83 H ALA 83 24.846 20.742 12.204 734 HA ALA 83 HA ALA 83 25.120 21.001 15.116 735 1HB ALA 83 3HB ALA 83 26.012 18.727 13.814 736 2HB ALA 83 1HB ALA 83 27.470 19.699 14.019 737 3HB ALA 83 2HB ALA 83 26.493 19.265 15.424 738 H LEU 84 H LEU 84 26.209 22.661 15.704 739 HA LEU 84 HA LEU 84 28.142 23.880 13.816 740 1HB LEU 84 1HB LEU 84 26.525 25.177 15.970 741 2HB LEU 84 2HB LEU 84 27.939 25.943 15.261 742 HG LEU 84 HG LEU 84 26.866 26.384 13.286 743 1HD1 LEU 84 2HD1 LEU 84 26.834 23.996 12.703 744 2HD1 LEU 84 3HD1 LEU 84 25.309 23.835 13.588 745 3HD1 LEU 84 1HD1 LEU 84 25.410 24.877 12.176 746 1HD2 LEU 84 2HD2 LEU 84 25.173 26.653 15.427 747 2HD2 LEU 84 3HD2 LEU 84 24.842 27.259 13.808 748 3HD2 LEU 84 1HD2 LEU 84 24.213 25.688 14.313 749 H TYR 85 H TYR 85 29.765 22.673 14.249 750 HA TYR 85 HA TYR 85 30.594 22.284 17.062 751 1HB TYR 85 1HB TYR 85 30.771 20.278 15.851 752 2HB TYR 85 2HB TYR 85 31.388 21.098 14.410 753 HD1 TYR 85 HD2 TYR 85 32.183 20.586 18.002 754 HD2 TYR 85 HD1 TYR 85 33.700 21.155 14.019 755 HE1 TYR 85 HE2 TYR 85 34.496 20.235 18.832 756 HE2 TYR 85 HE1 TYR 85 36.018 20.774 14.849 757 HH TYR 85 HH TYR 85 36.931 21.000 17.916 758 H ASP 86 H ASP 86 31.724 24.031 17.813 759 HA ASP 86 HA ASP 86 33.184 25.911 16.298 760 1HB ASP 86 1HB ASP 86 32.813 25.603 18.957 761 2HB ASP 86 2HB ASP 86 34.464 24.992 18.831 762 H ALA 87 H ALA 87 34.399 25.073 14.603 763 HA ALA 87 HA ALA 87 35.909 22.651 14.809 764 1HB ALA 87 3HB ALA 87 35.175 24.149 12.694 765 2HB ALA 87 1HB ALA 87 36.868 24.642 12.838 766 3HB ALA 87 2HB ALA 87 36.452 22.936 12.621 767 H SER 88 H SER 88 38.400 23.454 13.694 768 HA SER 88 HA SER 88 39.808 25.352 15.215 769 1HB SER 88 1HB SER 88 40.971 23.610 16.761 770 2HB SER 88 2HB SER 88 39.406 24.277 17.232 771 HG SER 88 HG SER 88 38.846 22.247 17.305 772 H PHE 89 H PHE 89 40.697 25.496 13.205 773 HA PHE 89 HA PHE 89 42.962 23.687 12.669 774 1HB PHE 89 1HB PHE 89 42.232 23.239 10.368 775 2HB PHE 89 2HB PHE 89 41.021 22.645 11.509 776 HD1 PHE 89 HD1 PHE 89 39.049 24.151 12.084 777 HD2 PHE 89 HD2 PHE 89 41.676 24.921 8.784 778 HE1 PHE 89 HE1 PHE 89 37.342 25.644 11.074 779 HE2 PHE 89 HE2 PHE 89 39.975 26.413 7.768 780 HZ PHE 89 HZ PHE 89 37.806 26.773 8.913 781 H GLU 90 H GLU 90 44.226 24.596 10.721 782 HA GLU 90 HA GLU 90 44.050 27.559 10.815 783 1HB GLU 90 1HB GLU 90 46.276 26.417 9.279 784 2HB GLU 90 2HB GLU 90 46.321 27.603 10.586 785 1HG GLU 90 1HG GLU 90 45.973 25.746 12.208 786 2HG GLU 90 2HG GLU 90 46.058 24.604 10.870 787 H THR 91 H THR 91 45.539 27.536 8.147 788 HA THR 91 HA THR 91 44.090 26.333 6.122 789 HB THR 91 HB THR 91 41.983 27.180 6.685 790 HG1 THR 91 HG1 THR 91 41.736 29.203 5.417 791 1HG2 THR 91 1HG2 THR 91 43.481 29.606 7.688 792 2HG2 THR 91 2HG2 THR 91 41.735 29.601 7.457 793 3HG2 THR 91 3HG2 THR 91 42.454 28.475 8.596 794 H LYS 92 H LYS 92 44.074 28.194 4.012 795 HA LYS 92 HA LYS 92 46.791 29.131 3.940 796 1HB LYS 92 1HB LYS 92 44.365 30.111 2.386 797 2HB LYS 92 2HB LYS 92 46.043 30.499 2.002 798 1HG LYS 92 1HG LYS 92 46.453 27.990 1.833 799 2HG LYS 92 2HG LYS 92 44.702 27.789 1.889 800 1HD LYS 92 1HD LYS 92 45.291 27.866 -0.433 801 2HD LYS 92 2HD LYS 92 44.580 29.437 -0.054 802 1HE LYS 92 1HE LYS 92 46.471 30.428 -0.765 803 2HE LYS 92 2HE LYS 92 47.349 29.626 0.538 804 1HZ LYS 92 1HZ LYS 92 46.925 27.705 -1.393 805 2HZ LYS 92 2HZ LYS 92 47.405 29.096 -2.243 806 3HZ LYS 92 3HZ LYS 92 48.392 28.465 -1.012 807 H GLU 93 H GLU 93 43.883 30.160 5.443 808 HA GLU 93 HA GLU 93 44.491 32.935 5.758 809 1HB GLU 93 1HB GLU 93 42.268 32.701 6.190 810 2HB GLU 93 2HB GLU 93 42.470 31.031 6.695 811 1HG GLU 93 1HG GLU 93 41.761 32.374 8.590 812 2HG GLU 93 2HG GLU 93 43.404 31.797 8.846 813 H SER 94 H SER 94 45.087 30.007 7.544 814 HA SER 94 HA SER 94 47.280 30.000 8.862 815 1HB SER 94 1HB SER 94 45.782 32.370 9.958 816 2HB SER 94 2HB SER 94 47.070 31.562 10.845 817 HG SER 94 HG SER 94 48.408 32.712 9.712 818 H ARG 95 H ARG 95 46.813 30.039 11.617 819 HA ARG 95 HA ARG 95 45.167 27.854 12.125 820 1HB ARG 95 1HB ARG 95 45.192 28.678 14.461 821 2HB ARG 95 2HB ARG 95 46.808 28.767 13.754 822 1HG ARG 95 1HG ARG 95 46.729 31.088 13.527 823 2HG ARG 95 2HG ARG 95 44.964 31.122 13.522 824 1HD ARG 95 1HD ARG 95 45.195 31.751 15.680 825 2HD ARG 95 2HD ARG 95 45.452 30.030 15.956 826 HE ARG 95 HE ARG 95 47.761 31.862 15.465 827 1HH1 ARG 95 1HH1 ARG 95 46.893 28.791 16.421 828 2HH1 ARG 95 2HH1 ARG 95 47.834 28.773 17.875 829 1HH2 ARG 95 1HH2 ARG 95 48.636 32.143 17.709 830 2HH2 ARG 95 2HH2 ARG 95 48.823 30.671 18.604 831 H LYS 96 H LYS 96 43.016 28.076 13.098 832 HA LYS 96 HA LYS 96 41.423 30.344 13.267 833 1HB LYS 96 1HB LYS 96 41.894 29.482 10.460 834 2HB LYS 96 2HB LYS 96 40.214 29.807 10.899 835 1HG LYS 96 1HG LYS 96 41.778 31.844 12.076 836 2HG LYS 96 2HG LYS 96 42.336 31.680 10.408 837 1HD LYS 96 1HD LYS 96 39.504 32.199 11.374 838 2HD LYS 96 2HD LYS 96 40.501 33.244 10.363 839 1HE LYS 96 1HE LYS 96 39.733 32.217 8.516 840 2HE LYS 96 2HE LYS 96 40.327 30.669 9.113 841 1HZ LYS 96 3HZ LYS 96 37.755 31.879 9.960 842 2HZ LYS 96 1HZ LYS 96 37.894 30.757 8.693 843 3HZ LYS 96 2HZ LYS 96 38.307 30.303 10.273 844 H GLU 97 H GLU 97 40.076 29.339 14.671 845 HA GLU 97 HA GLU 97 39.030 26.671 14.080 846 1HB GLU 97 1HB GLU 97 39.340 26.702 16.342 847 2HB GLU 97 2HB GLU 97 39.209 28.456 16.438 848 1HG GLU 97 1HG GLU 97 36.799 28.311 16.169 849 2HG GLU 97 2HG GLU 97 36.908 26.560 16.011 850 H GLU 98 H GLU 98 37.462 26.693 12.672 851 HA GLU 98 HA GLU 98 35.378 28.820 12.835 852 1HB GLU 98 1HB GLU 98 36.088 29.426 10.796 853 2HB GLU 98 2HB GLU 98 37.040 27.960 10.595 854 1HG GLU 98 1HG GLU 98 35.182 26.737 9.770 855 2HG GLU 98 2HG GLU 98 34.031 27.950 10.331 856 H LEU 99 H LEU 99 33.734 27.849 13.725 857 HA LEU 99 HA LEU 99 33.016 25.131 13.741 858 1HB LEU 99 1HB LEU 99 30.950 25.855 14.576 859 2HB LEU 99 2HB LEU 99 32.049 27.167 14.996 860 HG LEU 99 HG LEU 99 31.345 28.139 12.665 861 1HD1 LEU 99 2HD1 LEU 99 29.564 25.858 13.071 862 2HD1 LEU 99 3HD1 LEU 99 28.693 27.359 12.746 863 3HD1 LEU 99 1HD1 LEU 99 29.900 26.767 11.595 864 1HD2 LEU 99 2HD2 LEU 99 29.693 28.148 15.219 865 2HD2 LEU 99 3HD2 LEU 99 30.836 29.359 14.649 866 3HD2 LEU 99 1HD2 LEU 99 29.279 29.167 13.841 867 H MET 100 H MET 100 31.088 24.172 12.590 868 HA MET 100 HA MET 100 30.725 25.233 9.861 869 1HB MET 100 1HB MET 100 31.908 22.566 10.516 870 2HB MET 100 2HB MET 100 31.476 23.131 8.893 871 1HG MET 100 1HG MET 100 32.984 25.095 9.224 872 2HG MET 100 2HG MET 100 33.494 24.410 10.761 873 1HE MET 100 2HE MET 100 33.113 21.438 9.987 874 2HE MET 100 3HE MET 100 32.482 21.824 8.385 875 3HE MET 100 1HE MET 100 33.942 20.846 8.533 876 H PHE 101 H PHE 101 28.659 25.085 9.415 877 HA PHE 101 HA PHE 101 26.641 23.876 10.835 878 1HB PHE 101 1HB PHE 101 26.512 25.414 8.763 879 2HB PHE 101 2HB PHE 101 26.631 23.941 7.836 880 HD1 PHE 101 HD1 PHE 101 24.990 24.144 11.074 881 HD2 PHE 101 HD2 PHE 101 24.423 24.039 6.844 882 HE1 PHE 101 HE1 PHE 101 22.591 23.686 11.430 883 HE2 PHE 101 HE2 PHE 101 22.001 23.596 7.183 884 HZ PHE 101 HZ PHE 101 21.088 23.405 9.478 885 H PHE 102 H PHE 102 25.732 21.747 10.884 886 HA PHE 102 HA PHE 102 27.077 19.813 9.049 887 1HB PHE 102 1HB PHE 102 26.944 19.774 11.992 888 2HB PHE 102 2HB PHE 102 26.505 18.246 11.210 889 HD1 PHE 102 HD2 PHE 102 28.043 17.274 9.438 890 HD2 PHE 102 HD1 PHE 102 29.174 20.510 12.044 891 HE1 PHE 102 HE2 PHE 102 30.454 16.924 8.860 892 HE2 PHE 102 HE1 PHE 102 31.552 20.161 11.480 893 HZ PHE 102 HZ PHE 102 32.200 18.366 9.882 894 H LEU 103 H LEU 103 25.608 18.819 7.810 895 HA LEU 103 HA LEU 103 22.769 18.864 8.528 896 1HB LEU 103 1HB LEU 103 23.808 17.675 6.002 897 2HB LEU 103 2HB LEU 103 22.376 18.666 6.260 898 HG LEU 103 HG LEU 103 25.262 19.565 6.143 899 1HD1 LEU 103 2HD1 LEU 103 23.493 19.404 4.135 900 2HD1 LEU 103 3HD1 LEU 103 23.033 20.982 4.771 901 3HD1 LEU 103 1HD1 LEU 103 24.688 20.695 4.235 902 1HD2 LEU 103 1HD2 LEU 103 23.512 20.522 8.041 903 2HD2 LEU 103 2HD2 LEU 103 24.834 21.455 7.335 904 3HD2 LEU 103 3HD2 LEU 103 23.202 21.613 6.686 905 H TRP 104 H TRP 104 24.302 17.363 10.144 906 HA TRP 104 HA TRP 104 24.904 14.726 9.630 907 1HB TRP 104 1HB TRP 104 24.995 15.819 11.930 908 2HB TRP 104 2HB TRP 104 23.254 15.516 12.059 909 HD1 TRP 104 HD1 TRP 104 23.379 13.626 13.921 910 HE1 TRP 104 HE1 TRP 104 24.174 11.188 13.868 911 HE3 TRP 104 HE3 TRP 104 26.115 13.633 9.578 912 HZ2 TRP 104 HZ2 TRP 104 25.831 9.488 12.205 913 HZ3 TRP 104 HZ3 TRP 104 27.199 11.653 8.805 914 HH2 TRP 104 HH2 TRP 104 27.087 9.548 10.112 915 H ALA 105 H ALA 105 23.644 13.555 8.220 916 HA ALA 105 HA ALA 105 20.851 12.970 9.059 917 1HB ALA 105 3HB ALA 105 21.723 13.980 6.340 918 2HB ALA 105 1HB ALA 105 20.192 13.140 6.595 919 3HB ALA 105 2HB ALA 105 20.501 14.671 7.409 920 HA PRO 106 HA PRO 106 23.119 9.162 8.071 921 1HB PRO 106 1HB PRO 106 21.697 7.653 9.889 922 2HB PRO 106 2HB PRO 106 23.153 8.579 10.291 923 1HG PRO 106 1HG PRO 106 20.291 9.217 10.891 924 2HG PRO 106 2HG PRO 106 21.757 9.661 11.786 925 1HD PRO 106 1HD PRO 106 20.336 11.369 10.085 926 2HD PRO 106 2HD PRO 106 22.008 11.624 10.619 927 H GLU 107 H GLU 107 22.429 7.331 6.888 928 HA GLU 107 HA GLU 107 20.035 7.701 5.348 929 1HB GLU 107 1HB GLU 107 22.150 5.591 5.543 930 2HB GLU 107 2HB GLU 107 20.656 5.221 4.682 931 1HG GLU 107 1HG GLU 107 21.187 7.672 3.657 932 2HG GLU 107 2HG GLU 107 22.830 7.104 3.964 933 H LEU 108 H LEU 108 20.462 6.516 8.460 934 HA LEU 108 HA LEU 108 18.132 4.654 8.252 935 1HB LEU 108 1HB LEU 108 19.617 4.977 10.801 936 2HB LEU 108 2HB LEU 108 18.898 3.537 10.086 937 HG LEU 108 HG LEU 108 21.048 4.557 8.428 938 1HD1 LEU 108 3HD1 LEU 108 21.678 5.350 10.770 939 2HD1 LEU 108 1HD1 LEU 108 21.830 3.640 11.192 940 3HD1 LEU 108 2HD1 LEU 108 22.862 4.331 9.937 941 1HD2 LEU 108 1HD2 LEU 108 19.862 2.293 8.551 942 2HD2 LEU 108 2HD2 LEU 108 21.623 2.259 8.408 943 3HD2 LEU 108 3HD2 LEU 108 20.861 1.976 9.976 944 H ALA 109 H ALA 109 19.279 7.652 9.557 945 HA ALA 109 HA ALA 109 17.806 8.338 11.722 946 1HB ALA 109 1HB ALA 109 18.620 9.821 9.323 947 2HB ALA 109 2HB ALA 109 17.194 10.517 10.113 948 3HB ALA 109 3HB ALA 109 18.701 10.301 11.019 949 HA PRO 110 HA PRO 110 13.525 8.017 11.090 950 1HB PRO 110 1HB PRO 110 12.614 10.420 12.109 951 2HB PRO 110 2HB PRO 110 13.141 9.053 13.108 952 1HG PRO 110 1HG PRO 110 14.602 11.588 12.459 953 2HG PRO 110 2HG PRO 110 14.675 10.596 13.926 954 1HD PRO 110 1HD PRO 110 16.617 10.571 11.926 955 2HD PRO 110 2HD PRO 110 16.342 9.241 13.070 956 H LEU 111 H LEU 111 12.010 8.512 9.495 957 HA LEU 111 HA LEU 111 12.928 9.861 7.176 958 1HB LEU 111 1HB LEU 111 10.309 8.754 8.091 959 2HB LEU 111 2HB LEU 111 10.334 9.785 6.661 960 HG LEU 111 HG LEU 111 12.145 8.324 5.715 961 1HD1 LEU 111 1HD1 LEU 111 12.755 7.437 8.060 962 2HD1 LEU 111 2HD1 LEU 111 11.370 6.361 7.879 963 3HD1 LEU 111 3HD1 LEU 111 12.718 6.262 6.747 964 1HD2 LEU 111 1HD2 LEU 111 9.542 6.951 6.456 965 2HD2 LEU 111 2HD2 LEU 111 9.786 8.021 5.075 966 3HD2 LEU 111 3HD2 LEU 111 10.614 6.466 5.142 967 H LYS 112 H LYS 112 11.670 11.153 10.043 968 HA LYS 112 HA LYS 112 10.522 13.519 8.700 969 1HB LYS 112 1HB LYS 112 10.838 13.168 11.672 970 2HB LYS 112 2HB LYS 112 9.606 14.077 10.789 971 1HG LYS 112 1HG LYS 112 9.932 11.073 10.627 972 2HG LYS 112 2HG LYS 112 8.774 11.877 11.689 973 1HD LYS 112 1HD LYS 112 7.414 11.557 9.844 974 2HD LYS 112 2HD LYS 112 8.120 13.114 9.410 975 1HE LYS 112 1HE LYS 112 9.541 12.188 7.824 976 2HE LYS 112 2HE LYS 112 9.571 10.614 8.618 977 1HZ LYS 112 3HZ LYS 112 6.943 11.050 7.926 978 2HZ LYS 112 1HZ LYS 112 7.838 11.558 6.579 979 3HZ LYS 112 2HZ LYS 112 8.031 9.979 7.179 980 H SER 113 H SER 113 13.581 12.569 9.725 981 HA SER 113 HA SER 113 14.332 15.444 10.030 982 1HB SER 113 1HB SER 113 16.099 13.222 11.013 983 2HB SER 113 2HB SER 113 16.009 14.898 11.550 984 HG SER 113 HG SER 113 13.694 14.131 12.092 985 H LYS 114 H LYS 114 14.147 13.150 7.807 986 HA LYS 114 HA LYS 114 16.741 13.884 6.517 987 1HB LYS 114 1HB LYS 114 16.286 11.731 5.147 988 2HB LYS 114 2HB LYS 114 16.874 11.538 6.797 989 1HG LYS 114 1HG LYS 114 14.960 10.530 7.469 990 2HG LYS 114 2HG LYS 114 13.939 11.706 6.645 991 1HD LYS 114 1HD LYS 114 13.911 9.232 5.811 992 2HD LYS 114 2HD LYS 114 14.007 10.521 4.613 993 1HE LYS 114 1HE LYS 114 16.141 9.980 4.019 994 2HE LYS 114 2HE LYS 114 16.606 9.592 5.675 995 1HZ LYS 114 2HZ LYS 114 15.195 7.551 5.430 996 2HZ LYS 114 3HZ LYS 114 15.110 7.891 3.767 997 3HZ LYS 114 1HZ LYS 114 16.611 7.575 4.490 998 H MET 115 H MET 115 13.289 13.337 6.170 999 HA MET 115 HA MET 115 13.202 14.260 3.370 1000 1HB MET 115 1HB MET 115 10.925 13.959 5.336 1001 2HB MET 115 2HB MET 115 10.837 13.922 3.570 1002 1HG MET 115 1HG MET 115 12.658 11.902 4.743 1003 2HG MET 115 2HG MET 115 10.952 11.665 5.123 1004 1HE MET 115 3HE MET 115 9.072 11.729 3.395 1005 2HE MET 115 1HE MET 115 9.259 10.539 2.109 1006 3HE MET 115 2HE MET 115 9.665 10.105 3.768 1007 H ILE 116 H ILE 116 12.701 15.368 6.615 1008 HA ILE 116 HA ILE 116 11.331 17.762 5.946 1009 HB ILE 116 HB ILE 116 12.549 16.327 8.214 1010 1HG1 ILE 116 1HG1 ILE 116 10.419 16.002 8.873 1011 2HG1 ILE 116 2HG1 ILE 116 9.957 17.669 8.556 1012 1HG2 ILE 116 3HG2 ILE 116 12.141 19.243 8.053 1013 2HG2 ILE 116 1HG2 ILE 116 11.781 18.430 9.580 1014 3HG2 ILE 116 2HG2 ILE 116 13.381 18.288 8.860 1015 1HD1 ILE 116 1HD1 ILE 116 10.380 15.644 6.348 1016 2HD1 ILE 116 2HD1 ILE 116 8.812 15.904 7.110 1017 3HD1 ILE 116 3HD1 ILE 116 9.592 17.217 6.231 1018 H TYR 117 H TYR 117 14.424 16.871 7.242 1019 HA TYR 117 HA TYR 117 15.727 19.357 7.516 1020 1HB TYR 117 1HB TYR 117 16.492 16.534 7.009 1021 2HB TYR 117 2HB TYR 117 17.737 17.766 6.728 1022 HD1 TYR 117 HD1 TYR 117 15.233 18.659 9.163 1023 HD2 TYR 117 HD2 TYR 117 18.950 16.572 8.642 1024 HE1 TYR 117 HE1 TYR 117 15.631 18.759 11.605 1025 HE2 TYR 117 HE2 TYR 117 19.346 16.669 11.084 1026 HH TYR 117 HH TYR 117 17.690 16.881 13.203 1027 H ALA 118 H ALA 118 14.922 17.418 4.791 1028 HA ALA 118 HA ALA 118 16.537 18.276 2.721 1029 1HB ALA 118 1HB ALA 118 14.064 17.014 3.106 1030 2HB ALA 118 2HB ALA 118 13.734 18.351 1.995 1031 3HB ALA 118 3HB ALA 118 14.950 17.137 1.579 1032 H SER 119 H SER 119 13.544 19.840 3.894 1033 HA SER 119 HA SER 119 14.337 22.327 2.460 1034 1HB SER 119 1HB SER 119 12.028 21.434 2.141 1035 2HB SER 119 2HB SER 119 11.744 21.639 3.866 1036 HG SER 119 HG SER 119 12.727 23.804 2.393 1037 H SER 120 H SER 120 14.608 20.929 5.500 1038 HA SER 120 HA SER 120 14.169 23.334 7.111 1039 1HB SER 120 1HB SER 120 15.971 21.133 8.039 1040 2HB SER 120 2HB SER 120 14.775 22.054 8.945 1041 HG SER 120 HG SER 120 13.993 19.997 8.579 1042 H LYS 121 H LYS 121 16.766 21.870 5.378 1043 HA LYS 121 HA LYS 121 18.794 23.706 6.428 1044 1HB LYS 121 1HB LYS 121 18.744 21.250 4.913 1045 2HB LYS 121 2HB LYS 121 19.769 22.465 4.149 1046 1HG LYS 121 1HG LYS 121 21.204 22.574 5.924 1047 2HG LYS 121 2HG LYS 121 19.955 22.154 7.112 1048 1HD LYS 121 1HD LYS 121 21.749 20.342 6.528 1049 2HD LYS 121 2HD LYS 121 20.066 19.847 6.528 1050 1HE LYS 121 1HE LYS 121 21.057 20.895 3.955 1051 2HE LYS 121 2HE LYS 121 21.719 19.343 4.465 1052 1HZ LYS 121 3HZ LYS 121 18.938 19.419 4.948 1053 2HZ LYS 121 1HZ LYS 121 19.253 19.796 3.320 1054 3HZ LYS 121 2HZ LYS 121 19.829 18.344 3.979 1055 H ASP 122 H ASP 122 17.495 25.327 5.877 1056 HA ASP 122 HA ASP 122 18.164 26.928 3.645 1057 1HB ASP 122 1HB ASP 122 16.484 25.096 2.678 1058 2HB ASP 122 2HB ASP 122 15.274 26.077 3.516 1059 H ALA 123 H ALA 123 15.753 25.854 5.919 1060 HA ALA 123 HA ALA 123 14.794 28.507 6.653 1061 1HB ALA 123 2HB ALA 123 13.749 26.104 7.037 1062 2HB ALA 123 3HB ALA 123 14.750 26.126 8.491 1063 3HB ALA 123 1HB ALA 123 13.508 27.362 8.255 1064 H ILE 124 H ILE 124 16.844 26.055 8.207 1065 HA ILE 124 HA ILE 124 17.941 27.581 10.279 1066 HB ILE 124 HB ILE 124 18.305 25.190 10.027 1067 1HG1 ILE 124 1HG1 ILE 124 21.055 26.138 9.632 1068 2HG1 ILE 124 2HG1 ILE 124 20.131 27.051 10.823 1069 1HG2 ILE 124 3HG2 ILE 124 18.425 25.368 7.497 1070 2HG2 ILE 124 1HG2 ILE 124 20.096 25.887 7.710 1071 3HG2 ILE 124 2HG2 ILE 124 19.601 24.277 8.237 1072 1HD1 ILE 124 3HD1 ILE 124 20.126 24.042 10.830 1073 2HD1 ILE 124 1HD1 ILE 124 21.411 24.959 11.631 1074 3HD1 ILE 124 2HD1 ILE 124 19.739 25.161 12.167 1075 H LYS 125 H LYS 125 18.961 27.172 6.915 1076 HA LYS 125 HA LYS 125 21.295 28.720 6.887 1077 1HB LYS 125 1HB LYS 125 19.490 27.512 5.040 1078 2HB LYS 125 2HB LYS 125 19.819 29.152 4.488 1079 1HG LYS 125 1HG LYS 125 21.431 27.446 3.626 1080 2HG LYS 125 2HG LYS 125 22.191 28.761 4.508 1081 1HD LYS 125 1HD LYS 125 23.136 26.553 5.127 1082 2HD LYS 125 2HD LYS 125 22.371 27.340 6.504 1083 1HE LYS 125 1HE LYS 125 21.449 25.234 6.678 1084 2HE LYS 125 2HE LYS 125 20.244 25.999 5.653 1085 1HZ LYS 125 1HZ LYS 125 21.746 25.171 3.751 1086 2HZ LYS 125 2HZ LYS 125 22.368 24.101 4.916 1087 3HZ LYS 125 3HZ LYS 125 20.718 24.061 4.527 1088 H LYS 126 H LYS 126 17.898 29.802 6.636 1089 HA LYS 126 HA LYS 126 18.378 32.463 5.834 1090 1HB LYS 126 1HB LYS 126 16.265 31.281 7.627 1091 2HB LYS 126 2HB LYS 126 16.324 33.014 7.302 1092 1HG LYS 126 1HG LYS 126 16.366 32.425 4.826 1093 2HG LYS 126 2HG LYS 126 15.961 30.775 5.303 1094 1HD LYS 126 1HD LYS 126 14.275 32.804 6.594 1095 2HD LYS 126 2HD LYS 126 14.126 32.788 4.837 1096 1HE LYS 126 1HE LYS 126 14.096 30.179 6.307 1097 2HE LYS 126 2HE LYS 126 12.640 31.174 6.314 1098 1HZ LYS 126 1HZ LYS 126 12.829 31.276 3.861 1099 2HZ LYS 126 2HZ LYS 126 14.098 30.149 3.943 1100 3HZ LYS 126 3HZ LYS 126 12.536 29.715 4.454 1101 H LYS 127 H LYS 127 19.080 30.950 8.838 1102 HA LYS 127 HA LYS 127 20.047 33.555 9.896 1103 1HB LYS 127 1HB LYS 127 18.587 31.317 11.257 1104 2HB LYS 127 2HB LYS 127 19.814 32.194 12.172 1105 1HG LYS 127 1HG LYS 127 17.387 33.375 10.796 1106 2HG LYS 127 2HG LYS 127 17.679 33.290 12.532 1107 1HD LYS 127 1HD LYS 127 19.032 35.022 10.474 1108 2HD LYS 127 2HD LYS 127 18.311 35.495 12.011 1109 1HE LYS 127 1HE LYS 127 20.131 34.116 13.146 1110 2HE LYS 127 2HE LYS 127 20.909 34.011 11.566 1111 1HZ LYS 127 1HZ LYS 127 20.692 36.533 11.541 1112 2HZ LYS 127 2HZ LYS 127 20.397 36.413 13.210 1113 3HZ LYS 127 3HZ LYS 127 21.870 35.864 12.564 1114 H PHE 128 H PHE 128 20.795 30.507 8.726 1115 HA PHE 128 HA PHE 128 23.313 30.268 10.273 1116 1HB PHE 128 1HB PHE 128 21.648 28.458 8.625 1117 2HB PHE 128 2HB PHE 128 23.397 28.234 8.464 1118 HD1 PHE 128 HD2 PHE 128 21.700 29.732 11.296 1119 HD2 PHE 128 HD1 PHE 128 23.633 26.200 9.807 1120 HE1 PHE 128 HE2 PHE 128 21.725 28.781 13.579 1121 HE2 PHE 128 HE1 PHE 128 23.647 25.246 12.113 1122 HZ PHE 128 HZ PHE 128 22.686 26.548 13.997 1123 H GLN 129 H GLN 129 23.000 32.470 8.869 1124 HA GLN 129 HA GLN 129 24.267 32.343 6.239 1125 1HB GLN 129 1HB GLN 129 24.281 34.880 7.823 1126 2HB GLN 129 2HB GLN 129 23.908 34.627 6.120 1127 1HG GLN 129 1HG GLN 129 21.999 33.392 8.046 1128 2HG GLN 129 2HG GLN 129 22.015 35.149 7.995 1129 1HE2 GLN 129 2HE2 GLN 129 19.738 34.807 5.302 1130 2HE2 GLN 129 1HE2 GLN 129 19.974 35.342 6.895 1131 H GLY 130 H GLY 130 25.208 33.052 9.564 1132 1HA GLY 130 1HA GLY 130 28.057 33.315 8.756 1133 2HA GLY 130 2HA GLY 130 27.412 33.627 10.375 1134 H ILE 131 H ILE 131 26.554 30.815 8.457 1135 HA ILE 131 HA ILE 131 27.025 28.969 10.513 1136 HB ILE 131 HB ILE 131 26.116 29.011 7.795 1137 1HG1 ILE 131 1HG1 ILE 131 24.771 28.350 9.648 1138 2HG1 ILE 131 2HG1 ILE 131 24.969 26.957 8.578 1139 1HG2 ILE 131 3HG2 ILE 131 27.858 26.693 8.584 1140 2HG2 ILE 131 1HG2 ILE 131 26.843 26.778 7.146 1141 3HG2 ILE 131 2HG2 ILE 131 28.218 27.874 7.317 1142 1HD1 ILE 131 3HD1 ILE 131 27.093 26.578 10.056 1143 2HD1 ILE 131 1HD1 ILE 131 26.127 27.514 11.230 1144 3HD1 ILE 131 2HD1 ILE 131 25.478 26.002 10.574 1145 H LYS 132 H LYS 132 29.065 30.352 8.159 1146 HA LYS 132 HA LYS 132 31.432 30.266 8.045 1147 1HB LYS 132 1HB LYS 132 31.452 27.892 9.895 1148 2HB LYS 132 2HB LYS 132 32.701 29.112 9.651 1149 1HG LYS 132 1HG LYS 132 30.126 29.337 11.173 1150 2HG LYS 132 2HG LYS 132 31.757 29.695 11.723 1151 1HD LYS 132 1HD LYS 132 30.285 31.261 9.589 1152 2HD LYS 132 2HD LYS 132 30.436 31.762 11.267 1153 1HE LYS 132 1HE LYS 132 32.818 31.178 9.493 1154 2HE LYS 132 2HE LYS 132 32.132 32.792 9.685 1155 1HZ LYS 132 3HZ LYS 132 32.402 32.349 12.172 1156 2HZ LYS 132 1HZ LYS 132 33.448 31.095 11.711 1157 3HZ LYS 132 2HZ LYS 132 33.801 32.699 11.274 1158 H HIS 133 H HIS 133 29.645 27.200 8.354 1159 HA HIS 133 HA HIS 133 30.594 26.526 5.634 1160 1HB HIS 133 1HB HIS 133 31.577 25.151 8.086 1161 2HB HIS 133 2HB HIS 133 31.319 24.203 6.623 1162 HD1 HIS 133 HD1 HIS 133 32.150 26.320 4.523 1163 HD2 HIS 133 HD2 HIS 133 34.317 25.436 7.967 1164 HE1 HIS 133 HE1 HIS 133 34.535 27.039 4.064 1165 H GLU 134 H GLU 134 29.302 25.094 4.626 1166 HA GLU 134 HA GLU 134 27.114 23.959 6.288 1167 1HB GLU 134 1HB GLU 134 25.724 24.847 4.812 1168 2HB GLU 134 2HB GLU 134 27.023 25.275 3.701 1169 1HG GLU 134 1HG GLU 134 26.972 23.124 2.674 1170 2HG GLU 134 2HG GLU 134 26.000 22.449 3.988 1171 H CYS 135 H CYS 135 27.769 22.009 6.732 1172 HA CYS 135 HA CYS 135 28.951 20.324 4.538 1173 1HB CYS 135 1HB CYS 135 30.446 21.144 6.544 1174 2HB CYS 135 2HB CYS 135 29.645 19.836 7.412 1175 HG CYS 135 HG CYS 135 30.493 18.340 5.212 1176 H GLN 136 H GLN 136 27.479 18.782 4.011 1177 HA GLN 136 HA GLN 136 25.632 17.711 6.048 1178 1HB GLN 136 1HB GLN 136 24.796 18.201 3.767 1179 2HB GLN 136 2HB GLN 136 25.942 17.042 3.104 1180 1HG GLN 136 1HG GLN 136 24.781 15.210 3.917 1181 2HG GLN 136 2HG GLN 136 24.084 16.112 5.257 1182 1HE2 GLN 136 2HE2 GLN 136 21.120 16.748 3.507 1183 2HE2 GLN 136 1HE2 GLN 136 21.920 16.627 4.998 1184 H ALA 137 H ALA 137 25.397 15.308 6.222 1185 HA ALA 137 HA ALA 137 27.636 13.628 5.426 1186 1HB ALA 137 2HB ALA 137 27.273 14.411 8.326 1187 2HB ALA 137 3HB ALA 137 28.218 13.020 7.792 1188 3HB ALA 137 1HB ALA 137 28.711 14.648 7.328 1189 H ASN 138 H ASN 138 26.498 11.894 4.792 1190 HA ASN 138 HA ASN 138 24.238 10.993 6.528 1191 1HB ASN 138 1HB ASN 138 24.797 10.434 3.602 1192 2HB ASN 138 2HB ASN 138 23.491 9.675 4.524 1193 1HD2 ASN 138 2HD2 ASN 138 23.161 13.776 4.031 1194 2HD2 ASN 138 1HD2 ASN 138 24.696 13.110 4.308 1195 H GLY 139 H GLY 139 26.705 10.726 7.251 1196 1HA GLY 139 1HA GLY 139 27.103 8.101 8.067 1197 2HA GLY 139 2HA GLY 139 28.139 8.363 6.640 1198 HA PRO 140 HA PRO 140 29.371 10.950 10.449 1199 1HB PRO 140 1HB PRO 140 31.026 9.157 11.805 1200 2HB PRO 140 2HB PRO 140 29.330 9.468 12.223 1201 1HG PRO 140 1HG PRO 140 30.516 7.141 10.746 1202 2HG PRO 140 2HG PRO 140 29.101 7.185 11.814 1203 1HD PRO 140 1HD PRO 140 28.948 7.136 9.029 1204 2HD PRO 140 2HD PRO 140 27.660 7.769 10.079 1205 H GLU 141 H GLU 141 30.576 9.191 7.874 1206 HA GLU 141 HA GLU 141 33.409 9.929 8.109 1207 1HB GLU 141 1HB GLU 141 33.577 8.049 6.874 1208 2HB GLU 141 2HB GLU 141 31.818 7.994 6.666 1209 1HG GLU 141 1HG GLU 141 31.939 9.575 4.836 1210 2HG GLU 141 2HG GLU 141 33.675 9.771 5.076 1211 H ASP 142 H ASP 142 30.446 11.120 6.579 1212 HA ASP 142 HA ASP 142 31.842 12.689 4.571 1213 1HB ASP 142 1HB ASP 142 29.080 12.527 5.679 1214 2HB ASP 142 2HB ASP 142 29.542 14.047 4.908 1215 H LEU 143 H LEU 143 31.422 12.822 7.920 1216 HA LEU 143 HA LEU 143 31.910 15.696 8.259 1217 1HB LEU 143 1HB LEU 143 31.667 13.364 10.152 1218 2HB LEU 143 2HB LEU 143 31.927 15.029 10.674 1219 HG LEU 143 HG LEU 143 29.759 15.198 8.939 1220 1HD1 LEU 143 3HD1 LEU 143 29.654 12.721 8.970 1221 2HD1 LEU 143 1HD1 LEU 143 29.526 12.764 10.729 1222 3HD1 LEU 143 2HD1 LEU 143 28.232 13.438 9.740 1223 1HD2 LEU 143 1HD2 LEU 143 30.278 16.222 11.247 1224 2HD2 LEU 143 2HD2 LEU 143 28.588 15.840 10.916 1225 3HD2 LEU 143 3HD2 LEU 143 29.563 14.767 11.912 1226 H ASN 144 H ASN 144 33.581 12.866 7.691 1227 HA ASN 144 HA ASN 144 35.795 12.557 9.106 1228 1HB ASN 144 1HB ASN 144 35.358 11.434 6.951 1229 2HB ASN 144 2HB ASN 144 35.801 12.918 6.114 1230 1HD2 ASN 144 2HD2 ASN 144 38.827 11.359 8.317 1231 2HD2 ASN 144 1HD2 ASN 144 37.277 11.528 8.998 1232 H ARG 145 H ARG 145 37.559 13.657 9.586 1233 HA ARG 145 HA ARG 145 37.604 16.500 9.275 1234 1HB ARG 145 1HB ARG 145 40.131 16.077 9.987 1235 2HB ARG 145 2HB ARG 145 38.811 15.925 11.143 1236 1HG ARG 145 1HG ARG 145 39.097 13.689 11.358 1237 2HG ARG 145 2HG ARG 145 39.310 13.461 9.613 1238 1HD ARG 145 1HD ARG 145 41.519 13.218 9.957 1239 2HD ARG 145 2HD ARG 145 41.585 14.888 10.521 1240 HE ARG 145 HE ARG 145 40.989 13.898 12.820 1241 1HH1 ARG 145 1HH2 ARG 145 41.434 11.349 10.744 1242 2HH1 ARG 145 2HH2 ARG 145 42.722 10.601 11.626 1243 1HH2 ARG 145 1HH1 ARG 145 43.145 13.272 13.795 1244 2HH2 ARG 145 2HH1 ARG 145 43.691 11.689 13.353 1245 H ALA 146 H ALA 146 39.283 13.878 7.606 1246 HA ALA 146 HA ALA 146 40.990 15.430 5.937 1247 1HB ALA 146 1HB ALA 146 40.732 12.821 6.226 1248 2HB ALA 146 2HB ALA 146 39.518 12.997 4.945 1249 3HB ALA 146 3HB ALA 146 41.201 13.467 4.651 1250 H CYS 147 H CYS 147 37.631 14.496 5.822 1251 HA CYS 147 HA CYS 147 37.114 15.636 3.164 1252 1HB CYS 147 1HB CYS 147 35.912 13.747 4.500 1253 2HB CYS 147 2HB CYS 147 35.043 15.117 5.222 1254 HG CYS 147 HG CYS 147 33.797 14.263 2.997 1255 H ILE 148 H ILE 148 36.918 16.611 6.473 1256 HA ILE 148 HA ILE 148 35.399 18.983 5.916 1257 HB ILE 148 HB ILE 148 37.080 17.988 8.221 1258 1HG1 ILE 148 1HG1 ILE 148 35.267 16.755 8.658 1259 2HG1 ILE 148 2HG1 ILE 148 34.408 18.245 9.012 1260 1HG2 ILE 148 2HG2 ILE 148 35.735 20.530 7.634 1261 2HG2 ILE 148 3HG2 ILE 148 35.564 19.914 9.281 1262 3HG2 ILE 148 1HG2 ILE 148 37.166 20.194 8.597 1263 1HD1 ILE 148 2HD1 ILE 148 34.592 16.918 6.292 1264 2HD1 ILE 148 3HD1 ILE 148 33.205 16.810 7.378 1265 3HD1 ILE 148 1HD1 ILE 148 33.664 18.378 6.674 1266 H ALA 149 H ALA 149 38.428 17.638 5.706 1267 HA ALA 149 HA ALA 149 40.026 20.105 5.472 1268 1HB ALA 149 1HB ALA 149 40.589 17.147 5.336 1269 2HB ALA 149 2HB ALA 149 41.812 18.357 4.965 1270 3HB ALA 149 3HB ALA 149 41.107 18.273 6.576 1271 H GLU 150 H GLU 150 37.788 19.134 3.829 1272 HA GLU 150 HA GLU 150 38.924 19.411 1.124 1273 1HB GLU 150 1HB GLU 150 38.186 17.305 0.753 1274 2HB GLU 150 2HB GLU 150 37.315 17.258 2.288 1275 1HG GLU 150 1HG GLU 150 35.393 18.272 1.360 1276 2HG GLU 150 2HG GLU 150 36.278 18.850 -0.054 1277 H LYS 151 H LYS 151 36.348 19.801 3.472 1278 HA LYS 151 HA LYS 151 34.682 21.521 1.833 1279 1HB LYS 151 1HB LYS 151 33.276 20.782 3.459 1280 2HB LYS 151 2HB LYS 151 34.627 20.191 4.430 1281 1HG LYS 151 1HG LYS 151 34.873 22.219 5.552 1282 2HG LYS 151 2HG LYS 151 34.014 23.132 4.305 1283 1HD LYS 151 1HD LYS 151 32.758 21.055 6.142 1284 2HD LYS 151 2HD LYS 151 32.590 22.812 6.315 1285 1HE LYS 151 1HE LYS 151 31.464 21.012 4.189 1286 2HE LYS 151 2HE LYS 151 30.661 22.286 5.107 1287 1HZ LYS 151 1HZ LYS 151 32.061 23.908 3.934 1288 2HZ LYS 151 2HZ LYS 151 32.700 22.656 2.985 1289 3HZ LYS 151 3HZ LYS 151 31.047 23.038 2.884 1290 H LEU 152 H LEU 152 37.355 21.642 4.026 1291 HA LEU 152 HA LEU 152 37.553 24.596 3.659 1292 1HB LEU 152 1HB LEU 152 39.309 23.405 5.707 1293 2HB LEU 152 2HB LEU 152 38.371 24.886 5.765 1294 HG LEU 152 HG LEU 152 36.762 22.409 5.885 1295 1HD1 LEU 152 1HD1 LEU 152 39.115 22.757 7.527 1296 2HD1 LEU 152 2HD1 LEU 152 37.667 22.871 8.533 1297 3HD1 LEU 152 3HD1 LEU 152 37.957 21.436 7.549 1298 1HD2 LEU 152 3HD2 LEU 152 36.613 25.157 6.559 1299 2HD2 LEU 152 1HD2 LEU 152 35.358 23.930 6.744 1300 3HD2 LEU 152 2HD2 LEU 152 36.483 24.248 8.067 1301 H GLY 153 H GLY 153 39.085 21.406 3.583 1302 1HA GLY 153 1HA GLY 153 41.666 22.407 2.610 1303 2HA GLY 153 2HA GLY 153 41.194 20.753 2.823 1304 H GLY 154 H GLY 154 38.720 21.855 1.314 1305 1HA GLY 154 1HA GLY 154 39.828 21.231 -1.397 1306 2HA GLY 154 2HA GLY 154 38.136 21.010 -0.946 1307 H SER 155 H SER 155 39.749 23.813 0.212 1308 HA SER 155 HA SER 155 38.674 25.497 -1.982 1309 1HB SER 155 1HB SER 155 38.050 25.947 0.949 1310 2HB SER 155 2HB SER 155 37.566 26.989 -0.384 1311 HG SER 155 HG SER 155 36.900 24.239 -0.255 1312 H LEU 156 H LEU 156 40.236 25.851 1.257 1313 HA LEU 156 HA LEU 156 42.648 26.865 0.134 1314 1HB LEU 156 1HB LEU 156 42.037 29.240 1.151 1315 2HB LEU 156 2HB LEU 156 41.752 28.824 -0.538 1316 HG LEU 156 HG LEU 156 39.573 27.940 1.152 1317 1HD1 LEU 156 3HD1 LEU 156 40.682 30.570 1.694 1318 2HD1 LEU 156 1HD1 LEU 156 39.024 30.678 1.103 1319 3HD1 LEU 156 2HD1 LEU 156 39.390 29.711 2.531 1320 1HD2 LEU 156 3HD2 LEU 156 40.062 29.351 -1.399 1321 2HD2 LEU 156 1HD2 LEU 156 38.869 28.108 -1.020 1322 3HD2 LEU 156 2HD2 LEU 156 38.560 29.790 -0.586 1323 H ILE 157 H ILE 157 42.704 25.118 2.218 1324 HA ILE 157 HA ILE 157 43.105 26.956 4.513 1325 HB ILE 157 HB ILE 157 42.888 24.966 5.956 1326 1HG1 ILE 157 1HG1 ILE 157 41.957 23.683 3.384 1327 2HG1 ILE 157 2HG1 ILE 157 43.478 23.279 4.218 1328 1HG2 ILE 157 1HG2 ILE 157 40.870 26.326 4.386 1329 2HG2 ILE 157 2HG2 ILE 157 40.352 24.703 4.827 1330 3HG2 ILE 157 3HG2 ILE 157 40.829 25.842 6.081 1331 1HD1 ILE 157 3HD1 ILE 157 41.653 23.241 6.234 1332 2HD1 ILE 157 1HD1 ILE 157 40.729 22.570 4.877 1333 3HD1 ILE 157 2HD1 ILE 157 42.240 21.815 5.377 1334 H VAL 158 H VAL 158 44.553 24.474 5.657 1335 HA VAL 158 HA VAL 158 47.002 24.242 4.192 1336 HB VAL 158 HB VAL 158 46.785 26.250 6.423 1337 1HG1 VAL 158 2HG1 VAL 158 49.243 24.658 5.642 1338 2HG1 VAL 158 3HG1 VAL 158 49.285 26.129 6.614 1339 3HG1 VAL 158 1HG1 VAL 158 48.461 24.693 7.224 1340 1HG2 VAL 158 3HG2 VAL 158 47.915 26.124 3.643 1341 2HG2 VAL 158 1HG2 VAL 158 46.874 27.347 4.367 1342 3HG2 VAL 158 2HG2 VAL 158 48.583 27.283 4.792 1343 H ALA 159 H ALA 159 45.138 23.976 7.108 1344 HA ALA 159 HA ALA 159 46.547 21.453 7.824 1345 1HB ALA 159 2HB ALA 159 46.987 23.246 9.488 1346 2HB ALA 159 3HB ALA 159 45.247 23.440 9.696 1347 3HB ALA 159 1HB ALA 159 46.024 21.931 10.159 1348 H PHE 160 H PHE 160 45.229 19.841 8.573 1349 HA PHE 160 HA PHE 160 43.151 18.692 8.911 1350 1HB PHE 160 1HB PHE 160 42.130 21.313 8.654 1351 2HB PHE 160 2HB PHE 160 41.413 20.409 7.316 1352 HD1 PHE 160 HD1 PHE 160 42.513 19.275 10.667 1353 HD2 PHE 160 HD2 PHE 160 39.214 19.913 8.015 1354 HE1 PHE 160 HE1 PHE 160 40.998 18.174 12.303 1355 HE2 PHE 160 HE2 PHE 160 37.688 18.804 9.652 1356 HZ PHE 160 HZ PHE 160 38.580 17.947 11.785 1357 H GLU 161 H GLU 161 43.779 20.676 6.136 1358 HA GLU 161 HA GLU 161 43.543 18.377 4.286 1359 1HB GLU 161 1HB GLU 161 42.431 20.723 3.893 1360 2HB GLU 161 2HB GLU 161 44.057 21.237 3.470 1361 1HG GLU 161 1HG GLU 161 43.419 18.705 2.198 1362 2HG GLU 161 2HG GLU 161 42.239 19.936 1.759 1363 H GLY 162 H GLY 162 45.756 20.411 6.040 1364 1HA GLY 162 1HA GLY 162 47.951 19.363 4.281 1365 2HA GLY 162 2HA GLY 162 47.992 20.985 4.938 1366 H CYS 163 H CYS 163 48.175 21.137 7.389 1367 HA CYS 163 HA CYS 163 50.339 19.600 8.277 1368 1HB CYS 163 1HB CYS 163 50.187 21.659 9.289 1369 2HB CYS 163 2HB CYS 163 48.492 21.455 9.698 1370 HG CYS 163 HG CYS 163 50.813 19.936 11.162 1371 HA PRO 164 HA PRO 164 47.866 16.926 11.273 1372 1HB PRO 164 1HB PRO 164 45.139 17.338 11.413 1373 2HB PRO 164 2HB PRO 164 46.317 18.093 12.504 1374 1HG PRO 164 1HG PRO 164 44.874 19.267 10.168 1375 2HG PRO 164 2HG PRO 164 45.423 20.059 11.650 1376 1HD PRO 164 1HD PRO 164 46.785 20.290 9.224 1377 2HD PRO 164 2HD PRO 164 47.529 20.475 10.813 1378 H VAL 165 H VAL 165 46.030 17.870 8.372 1379 HA VAL 165 HA VAL 165 46.329 15.132 7.356 1380 HB VAL 165 HB VAL 165 43.673 15.118 6.930 1381 1HG1 VAL 165 3HG1 VAL 165 45.401 13.570 8.282 1382 2HG1 VAL 165 1HG1 VAL 165 44.478 14.199 9.648 1383 3HG1 VAL 165 2HG1 VAL 165 43.655 13.321 8.359 1384 1HG2 VAL 165 3HG2 VAL 165 44.032 17.148 8.936 1385 2HG2 VAL 165 1HG2 VAL 165 42.528 16.554 8.231 1386 3HG2 VAL 165 2HG2 VAL 165 43.208 15.769 9.657 No H/Q in entry = 1386 Start of MODEL 17 1 1H THR -8 3H THR -8 8.432 37.246 -6.285 2 2H THR -8 1H THR -8 7.498 38.265 -7.273 3 3H THR -8 2H THR -8 8.993 38.802 -6.674 4 HA THR -8 HA THR -8 8.192 38.902 -4.463 5 HB THR -8 HB THR -8 6.024 40.331 -4.930 6 HG1 THR -8 HG1 THR -8 7.016 40.591 -7.479 7 1HG2 THR -8 1HG2 THR -8 8.455 41.059 -4.522 8 2HG2 THR -8 2HG2 THR -8 8.584 41.192 -6.275 9 3HG2 THR -8 3HG2 THR -8 7.424 42.189 -5.399 10 H MET -7 H MET -7 7.633 36.864 -3.584 11 HA MET -7 HA MET -7 4.715 36.344 -3.545 12 1HB MET -7 1HB MET -7 6.652 34.700 -4.932 13 2HB MET -7 2HB MET -7 5.917 33.790 -3.611 14 1HG MET -7 1HG MET -7 3.662 34.609 -4.465 15 2HG MET -7 2HG MET -7 4.512 35.188 -5.899 16 1HE MET -7 1HE MET -7 2.495 33.903 -6.523 17 2HE MET -7 2HE MET -7 3.281 33.037 -7.849 18 3HE MET -7 3HE MET -7 2.344 32.153 -6.648 19 H ILE -6 H ILE -6 4.141 36.169 -1.451 20 HA ILE -6 HA ILE -6 6.226 35.664 0.577 21 HB ILE -6 HB ILE -6 3.278 36.227 1.003 22 1HG1 ILE -6 1HG1 ILE -6 4.919 38.505 1.502 23 2HG1 ILE -6 2HG1 ILE -6 5.324 37.906 -0.107 24 1HG2 ILE -6 2HG2 ILE -6 5.685 35.955 2.712 25 2HG2 ILE -6 3HG2 ILE -6 4.654 37.338 3.076 26 3HG2 ILE -6 1HG2 ILE -6 3.986 35.706 3.116 27 1HD1 ILE -6 1HD1 ILE -6 2.436 38.093 0.653 28 2HD1 ILE -6 2HD1 ILE -6 3.294 39.578 0.245 29 3HD1 ILE -6 3HD1 ILE -6 3.190 38.268 -0.932 30 H THR -5 H THR -5 6.114 33.907 2.059 31 HA THR -5 HA THR -5 4.083 31.984 2.288 32 HB THR -5 HB THR -5 4.247 31.432 -0.027 33 HG1 THR -5 HG1 THR -5 4.421 29.395 0.391 34 1HG2 THR -5 1HG2 THR -5 6.807 32.461 0.162 35 2HG2 THR -5 2HG2 THR -5 7.098 30.744 -0.109 36 3HG2 THR -5 3HG2 THR -5 6.133 31.666 -1.260 37 HA PRO -4 HA PRO -4 7.608 31.346 5.085 38 1HB PRO -4 1HB PRO -4 6.008 30.924 7.280 39 2HB PRO -4 2HB PRO -4 6.514 32.531 6.729 40 1HG PRO -4 1HG PRO -4 3.851 31.210 6.472 41 2HG PRO -4 2HG PRO -4 4.246 32.935 6.532 42 1HD PRO -4 1HD PRO -4 3.623 31.460 4.199 43 2HD PRO -4 2HD PRO -4 4.342 33.084 4.247 44 H SER -3 H SER -3 7.279 29.466 7.131 45 HA SER -3 HA SER -3 7.667 26.985 5.899 46 1HB SER -3 1HB SER -3 7.032 27.905 8.622 47 2HB SER -3 2HB SER -3 6.507 26.257 8.288 48 HG SER -3 HG SER -3 9.105 27.318 7.820 49 H SER -2 H SER -2 6.112 25.006 6.193 50 HA SER -2 HA SER -2 3.273 25.814 5.826 51 1HB SER -2 1HB SER -2 4.316 25.698 3.573 52 2HB SER -2 2HB SER -2 4.762 24.024 3.889 53 HG SER -2 HG SER -2 2.413 25.044 3.071 54 H GLY -1 H GLY -1 5.437 23.748 7.326 55 1HA GLY -1 1HA GLY -1 3.989 22.265 8.939 56 2HA GLY -1 2HA GLY -1 3.480 21.503 7.432 57 H ASN 0 H ASN 0 4.825 20.071 9.476 58 HA ASN 0 HA ASN 0 7.595 19.760 8.435 59 1HB ASN 0 1HB ASN 0 7.822 18.237 10.464 60 2HB ASN 0 2HB ASN 0 7.534 19.940 10.820 61 1HD2 ASN 0 2HD2 ASN 0 4.540 19.272 12.540 62 2HD2 ASN 0 1HD2 ASN 0 5.791 20.366 12.196 63 H SER 1 H SER 1 4.786 18.674 7.426 64 HA SER 1 HA SER 1 5.211 15.778 7.462 65 1HB SER 1 1HB SER 1 3.214 17.655 6.259 66 2HB SER 1 2HB SER 1 3.377 16.057 5.537 67 HG SER 1 HG SER 1 2.703 15.147 7.372 68 H ALA 2 H ALA 2 5.949 18.482 5.378 69 HA ALA 2 HA ALA 2 7.296 16.596 3.482 70 1HB ALA 2 3HB ALA 2 5.234 18.283 2.836 71 2HB ALA 2 1HB ALA 2 6.632 19.302 2.493 72 3HB ALA 2 2HB ALA 2 6.462 17.740 1.692 73 H SER 3 H SER 3 7.422 19.581 5.311 74 HA SER 3 HA SER 3 10.026 19.712 6.022 75 1HB SER 3 1HB SER 3 10.931 21.271 4.069 76 2HB SER 3 2HB SER 3 11.082 19.519 3.967 77 HG SER 3 HG SER 3 9.900 21.067 2.262 78 H GLY 4 H GLY 4 9.205 21.077 7.613 79 1HA GLY 4 1HA GLY 4 8.747 23.860 6.740 80 2HA GLY 4 2HA GLY 4 7.433 23.090 7.619 81 H VAL 5 H VAL 5 10.619 22.123 8.568 82 HA VAL 5 HA VAL 5 10.318 22.925 11.267 83 HB VAL 5 HB VAL 5 13.021 23.176 10.078 84 1HG1 VAL 5 1HG1 VAL 5 11.877 21.827 12.506 85 2HG1 VAL 5 2HG1 VAL 5 13.591 21.837 12.084 86 3HG1 VAL 5 3HG1 VAL 5 12.759 23.349 12.431 87 1HG2 VAL 5 2HG2 VAL 5 11.423 20.602 10.180 88 2HG2 VAL 5 3HG2 VAL 5 12.251 21.287 8.784 89 3HG2 VAL 5 1HG2 VAL 5 13.187 20.620 10.119 90 H GLN 6 H GLN 6 10.972 24.788 12.349 91 HA GLN 6 HA GLN 6 11.449 27.112 10.553 92 1HB GLN 6 1HB GLN 6 10.094 28.428 12.172 93 2HB GLN 6 2HB GLN 6 9.178 27.129 11.391 94 1HG GLN 6 1HG GLN 6 10.401 25.879 13.510 95 2HG GLN 6 2HG GLN 6 9.909 27.432 14.188 96 1HE2 GLN 6 2HE2 GLN 6 7.015 24.883 12.782 97 2HE2 GLN 6 1HE2 GLN 6 8.592 24.762 12.173 98 H VAL 7 H VAL 7 13.556 25.594 12.000 99 HA VAL 7 HA VAL 7 15.406 26.118 13.405 100 HB VAL 7 HB VAL 7 14.322 28.910 13.009 101 1HG1 VAL 7 3HG1 VAL 7 16.746 27.739 14.157 102 2HG1 VAL 7 1HG1 VAL 7 17.076 28.972 12.941 103 3HG1 VAL 7 2HG1 VAL 7 16.090 29.364 14.349 104 1HG2 VAL 7 2HG2 VAL 7 15.413 26.989 11.124 105 2HG2 VAL 7 3HG2 VAL 7 14.652 28.549 10.813 106 3HG2 VAL 7 1HG2 VAL 7 16.374 28.469 11.183 107 H ALA 8 H ALA 8 15.873 26.766 15.482 108 HA ALA 8 HA ALA 8 13.502 26.770 17.257 109 1HB ALA 8 2HB ALA 8 16.160 25.606 17.106 110 2HB ALA 8 3HB ALA 8 15.821 26.287 18.709 111 3HB ALA 8 1HB ALA 8 14.754 25.053 18.028 112 H ASP 9 H ASP 9 15.962 28.838 16.140 113 HA ASP 9 HA ASP 9 16.326 31.118 16.765 114 1HB ASP 9 1HB ASP 9 15.155 30.518 19.479 115 2HB ASP 9 2HB ASP 9 15.317 32.078 18.675 116 H GLU 10 H GLU 10 16.599 28.532 19.190 117 HA GLU 10 HA GLU 10 18.949 29.482 20.464 118 1HB GLU 10 1HB GLU 10 18.294 27.638 21.652 119 2HB GLU 10 2HB GLU 10 17.465 26.940 20.265 120 1HG GLU 10 1HG GLU 10 19.259 25.667 19.674 121 2HG GLU 10 2HG GLU 10 20.424 26.927 20.081 122 H VAL 11 H VAL 11 18.219 28.020 17.394 123 HA VAL 11 HA VAL 11 20.995 27.414 16.626 124 HB VAL 11 HB VAL 11 18.468 26.793 15.595 125 1HG1 VAL 11 1HG1 VAL 11 18.426 29.028 14.549 126 2HG1 VAL 11 2HG1 VAL 11 19.951 28.674 13.738 127 3HG1 VAL 11 3HG1 VAL 11 18.504 27.751 13.335 128 1HG2 VAL 11 3HG2 VAL 11 21.289 26.294 15.017 129 2HG2 VAL 11 1HG2 VAL 11 19.919 25.185 14.951 130 3HG2 VAL 11 2HG2 VAL 11 20.286 26.222 13.572 131 H CYS 12 H CYS 12 18.647 30.011 16.312 132 HA CYS 12 HA CYS 12 20.351 31.703 14.697 133 1HB CYS 12 1HB CYS 12 17.767 31.930 15.292 134 2HB CYS 12 2HB CYS 12 18.379 32.820 16.685 135 HG CYS 12 HG CYS 12 19.788 34.152 14.609 136 H ARG 13 H ARG 13 20.653 30.456 17.787 137 HA ARG 13 HA ARG 13 22.519 32.648 18.550 138 1HB ARG 13 1HB ARG 13 20.637 30.985 20.245 139 2HB ARG 13 2HB ARG 13 22.077 31.730 20.942 140 1HG ARG 13 1HG ARG 13 20.055 33.312 19.344 141 2HG ARG 13 2HG ARG 13 19.919 33.099 21.089 142 1HD ARG 13 1HD ARG 13 22.094 34.134 21.434 143 2HD ARG 13 2HD ARG 13 22.357 34.241 19.694 144 HE ARG 13 HE ARG 13 20.220 35.773 21.124 145 1HH1 ARG 13 1HH2 ARG 13 19.878 35.702 18.204 146 2HH1 ARG 13 2HH2 ARG 13 20.781 37.079 17.667 147 1HH2 ARG 13 1HH1 ARG 13 22.546 37.410 20.635 148 2HH2 ARG 13 2HH1 ARG 13 22.291 38.048 19.044 149 H ILE 14 H ILE 14 22.124 29.413 17.591 150 HA ILE 14 HA ILE 14 24.299 28.232 19.127 151 HB ILE 14 HB ILE 14 22.868 27.429 16.567 152 1HG1 ILE 14 1HG1 ILE 14 23.120 25.726 19.030 153 2HG1 ILE 14 2HG1 ILE 14 21.963 27.050 19.034 154 1HG2 ILE 14 2HG2 ILE 14 25.436 26.481 17.737 155 2HG2 ILE 14 3HG2 ILE 14 24.296 25.228 17.217 156 3HG2 ILE 14 1HG2 ILE 14 24.874 26.434 16.065 157 1HD1 ILE 14 1HD1 ILE 14 21.878 25.454 16.547 158 2HD1 ILE 14 2HD1 ILE 14 21.469 24.534 18.003 159 3HD1 ILE 14 3HD1 ILE 14 20.559 25.982 17.597 160 H PHE 15 H PHE 15 23.816 29.485 15.847 161 HA PHE 15 HA PHE 15 26.505 29.386 14.917 162 1HB PHE 15 1HB PHE 15 25.235 30.135 13.155 163 2HB PHE 15 2HB PHE 15 24.005 30.833 14.220 164 HD1 PHE 15 HD1 PHE 15 24.508 33.002 15.367 165 HD2 PHE 15 HD2 PHE 15 26.900 31.524 12.143 166 HE1 PHE 15 HE1 PHE 15 25.421 35.270 15.034 167 HE2 PHE 15 HE2 PHE 15 27.825 33.805 11.786 168 HZ PHE 15 HZ PHE 15 27.086 35.681 13.236 169 H TYR 16 H TYR 16 24.715 31.652 16.966 170 HA TYR 16 HA TYR 16 26.726 33.681 17.224 171 1HB TYR 16 1HB TYR 16 24.363 32.817 18.864 172 2HB TYR 16 2HB TYR 16 25.526 33.944 19.561 173 HD1 TYR 16 HD1 TYR 16 23.323 33.360 16.682 174 HD2 TYR 16 HD2 TYR 16 25.510 36.252 18.942 175 HE1 TYR 16 HE1 TYR 16 22.199 35.160 15.430 176 HE2 TYR 16 HE2 TYR 16 24.395 38.083 17.686 177 HH TYR 16 HH TYR 16 23.203 38.493 15.704 178 H ASP 17 H ASP 17 26.068 30.666 18.992 179 HA ASP 17 HA ASP 17 27.972 31.186 21.093 180 1HB ASP 17 1HB ASP 17 26.649 28.699 20.022 181 2HB ASP 17 2HB ASP 17 27.915 28.584 21.246 182 H MET 18 H MET 18 28.152 29.749 17.932 183 HA MET 18 HA MET 18 30.816 28.695 18.112 184 1HB MET 18 1HB MET 18 29.824 29.761 15.536 185 2HB MET 18 2HB MET 18 30.565 28.205 15.885 186 1HG MET 18 1HG MET 18 27.703 29.053 16.261 187 2HG MET 18 2HG MET 18 28.320 27.686 15.345 188 1HE MET 18 3HE MET 18 30.299 26.589 16.611 189 2HE MET 18 1HE MET 18 30.277 26.078 18.316 190 3HE MET 18 2HE MET 18 29.355 25.187 17.102 191 H LYS 19 H LYS 19 29.551 31.663 16.612 192 HA LYS 19 HA LYS 19 32.247 32.823 16.442 193 1HB LYS 19 1HB LYS 19 29.796 34.375 15.853 194 2HB LYS 19 2HB LYS 19 31.334 34.361 14.990 195 1HG LYS 19 1HG LYS 19 30.097 31.749 14.817 196 2HG LYS 19 2HG LYS 19 28.954 32.983 14.294 197 1HD LYS 19 1HD LYS 19 31.793 33.052 13.325 198 2HD LYS 19 2HD LYS 19 30.621 31.983 12.557 199 1HE LYS 19 1HE LYS 19 29.936 33.751 11.334 200 2HE LYS 19 2HE LYS 19 29.288 34.438 12.824 201 1HZ LYS 19 1HZ LYS 19 32.147 34.751 12.368 202 2HZ LYS 19 2HZ LYS 19 31.119 35.658 11.370 203 3HZ LYS 19 3HZ LYS 19 31.030 35.829 13.057 204 H VAL 20 H VAL 20 29.120 34.078 17.550 205 HA VAL 20 HA VAL 20 28.545 35.674 19.093 206 HB VAL 20 HB VAL 20 28.545 34.177 20.765 207 1HG1 VAL 20 2HG1 VAL 20 30.140 32.709 19.463 208 2HG1 VAL 20 3HG1 VAL 20 31.456 33.494 20.336 209 3HG1 VAL 20 1HG1 VAL 20 30.251 32.561 21.218 210 1HG2 VAL 20 3HG2 VAL 20 29.951 36.380 21.478 211 2HG2 VAL 20 1HG2 VAL 20 29.564 35.083 22.608 212 3HG2 VAL 20 2HG2 VAL 20 31.147 35.136 21.835 213 H ARG 21 H ARG 21 31.812 35.311 20.106 214 HA ARG 21 HA ARG 21 32.456 38.059 19.138 215 1HB ARG 21 1HB ARG 21 32.744 36.983 21.949 216 2HB ARG 21 2HB ARG 21 33.699 38.348 21.372 217 1HG ARG 21 1HG ARG 21 31.364 39.297 20.617 218 2HG ARG 21 2HG ARG 21 30.735 38.167 21.817 219 1HD ARG 21 1HD ARG 21 32.612 39.213 23.345 220 2HD ARG 21 2HD ARG 21 32.502 40.556 22.208 221 HE ARG 21 HE ARG 21 30.685 41.129 23.624 222 1HH1 ARG 21 1HH2 ARG 21 28.934 39.695 21.721 223 2HH1 ARG 21 2HH2 ARG 21 28.090 38.578 22.740 224 1HH2 ARG 21 1HH1 ARG 21 30.328 38.877 25.370 225 2HH2 ARG 21 2HH1 ARG 21 28.878 38.118 24.807 226 H LYS 22 H LYS 22 33.286 35.699 17.869 227 HA LYS 22 HA LYS 22 35.180 34.348 17.405 228 1HB LYS 22 1HB LYS 22 36.725 36.863 18.083 229 2HB LYS 22 2HB LYS 22 37.078 35.670 16.833 230 1HG LYS 22 1HG LYS 22 34.761 37.631 16.861 231 2HG LYS 22 2HG LYS 22 36.147 37.655 15.773 232 1HD LYS 22 1HD LYS 22 34.700 35.087 15.787 233 2HD LYS 22 2HD LYS 22 33.735 36.444 15.209 234 1HE LYS 22 1HE LYS 22 36.115 36.919 13.948 235 2HE LYS 22 2HE LYS 22 36.093 35.156 13.982 236 1HZ LYS 22 1HZ LYS 22 33.611 35.601 13.238 237 2HZ LYS 22 2HZ LYS 22 34.311 37.014 12.610 238 3HZ LYS 22 3HZ LYS 22 34.884 35.493 12.117 239 H CYS 23 H CYS 23 34.168 34.248 20.008 240 HA CYS 23 HA CYS 23 34.644 33.726 22.203 241 1HB CYS 23 1HB CYS 23 37.234 32.572 21.970 242 2HB CYS 23 2HB CYS 23 35.682 31.769 22.253 243 HG CYS 23 HG CYS 23 36.965 32.244 19.436 244 H SER 24 H SER 24 34.878 35.930 22.893 245 HA SER 24 HA SER 24 36.851 37.768 22.846 246 1HB SER 24 1HB SER 24 34.958 36.989 24.803 247 2HB SER 24 2HB SER 24 36.497 37.168 25.653 248 HG SER 24 HG SER 24 34.923 39.052 24.321 249 H THR 25 H THR 25 36.981 35.449 25.343 250 HA THR 25 HA THR 25 39.812 34.840 24.773 251 HB THR 25 HB THR 25 39.350 36.391 26.842 252 HG1 THR 25 HG1 THR 25 40.679 34.019 27.524 253 1HG2 THR 25 1HG2 THR 25 37.432 34.950 27.506 254 2HG2 THR 25 2HG2 THR 25 38.609 33.692 27.917 255 3HG2 THR 25 3HG2 THR 25 38.607 35.223 28.802 256 HA PRO 26 HA PRO 26 37.176 31.306 24.209 257 1HB PRO 26 1HB PRO 26 39.282 29.676 23.334 258 2HB PRO 26 2HB PRO 26 38.394 30.818 22.312 259 1HG PRO 26 1HG PRO 26 41.095 31.108 23.590 260 2HG PRO 26 2HG PRO 26 40.513 31.742 22.038 261 1HD PRO 26 1HD PRO 26 40.720 33.285 24.348 262 2HD PRO 26 2HD PRO 26 39.586 33.637 23.024 263 H GLU 27 H GLU 27 39.777 31.694 26.420 264 HA GLU 27 HA GLU 27 40.064 29.203 27.658 265 1HB GLU 27 1HB GLU 27 40.482 31.945 28.358 266 2HB GLU 27 2HB GLU 27 39.662 31.158 29.707 267 1HG GLU 27 1HG GLU 27 41.994 29.817 28.360 268 2HG GLU 27 2HG GLU 27 42.269 31.049 29.593 269 H GLU 28 H GLU 28 37.179 31.090 27.292 270 HA GLU 28 HA GLU 28 35.731 29.261 29.019 271 1HB GLU 28 1HB GLU 28 34.312 31.663 28.929 272 2HB GLU 28 2HB GLU 28 35.274 31.110 30.295 273 1HG GLU 28 1HG GLU 28 37.261 32.232 29.311 274 2HG GLU 28 2HG GLU 28 36.260 32.829 27.983 275 H ILE 29 H ILE 29 36.011 31.215 26.105 276 HA ILE 29 HA ILE 29 33.545 29.967 25.309 277 HB ILE 29 HB ILE 29 33.200 31.689 23.625 278 1HG1 ILE 29 1HG1 ILE 29 35.743 32.452 23.973 279 2HG1 ILE 29 2HG1 ILE 29 34.476 33.643 23.730 280 1HG2 ILE 29 3HG2 ILE 29 33.227 31.369 26.510 281 2HG2 ILE 29 1HG2 ILE 29 33.010 33.080 26.064 282 3HG2 ILE 29 2HG2 ILE 29 31.877 31.869 25.461 283 1HD1 ILE 29 1HD1 ILE 29 35.278 32.733 26.457 284 2HD1 ILE 29 2HD1 ILE 29 36.028 34.090 25.645 285 3HD1 ILE 29 3HD1 ILE 29 34.316 34.134 26.017 286 H LYS 30 H LYS 30 34.863 28.524 25.471 287 HA LYS 30 HA LYS 30 35.130 27.152 22.913 288 1HB LYS 30 1HB LYS 30 37.216 26.854 25.101 289 2HB LYS 30 2HB LYS 30 37.180 25.985 23.567 290 1HG LYS 30 1HG LYS 30 37.043 28.616 22.812 291 2HG LYS 30 2HG LYS 30 38.130 28.633 24.183 292 1HD LYS 30 1HD LYS 30 39.765 27.964 22.755 293 2HD LYS 30 2HD LYS 30 38.959 26.396 22.766 294 1HE LYS 30 1HE LYS 30 38.674 26.686 20.545 295 2HE LYS 30 2HE LYS 30 37.448 27.881 20.970 296 1HZ LYS 30 2HZ LYS 30 39.790 29.228 21.240 297 2HZ LYS 30 3HZ LYS 30 40.066 28.264 19.873 298 3HZ LYS 30 1HZ LYS 30 38.740 29.326 19.908 299 H LYS 31 H LYS 31 35.269 27.290 26.401 300 HA LYS 31 HA LYS 31 33.958 24.592 26.571 301 1HB LYS 31 1HB LYS 31 35.890 25.883 28.176 302 2HB LYS 31 2HB LYS 31 34.417 25.817 29.146 303 1HG LYS 31 1HG LYS 31 35.270 23.723 29.620 304 2HG LYS 31 2HG LYS 31 34.331 23.332 28.179 305 1HD LYS 31 1HD LYS 31 36.196 23.068 26.864 306 2HD LYS 31 2HD LYS 31 37.115 24.293 27.741 307 1HE LYS 31 1HE LYS 31 36.831 22.431 29.693 308 2HE LYS 31 2HE LYS 31 36.851 21.388 28.275 309 1HZ LYS 31 3HZ LYS 31 38.841 23.255 27.875 310 2HZ LYS 31 1HZ LYS 31 38.997 22.768 29.496 311 3HZ LYS 31 2HZ LYS 31 39.037 21.612 28.250 312 H ARG 32 H ARG 32 32.965 27.665 26.156 313 HA ARG 32 HA ARG 32 30.817 27.648 28.169 314 1HB ARG 32 1HB ARG 32 32.006 29.559 26.340 315 2HB ARG 32 2HB ARG 32 30.247 29.602 26.293 316 1HG ARG 32 1HG ARG 32 30.990 31.148 28.020 317 2HG ARG 32 2HG ARG 32 30.223 29.762 28.794 318 1HD ARG 32 1HD ARG 32 32.661 28.790 28.872 319 2HD ARG 32 2HD ARG 32 33.153 30.470 28.655 320 HE ARG 32 HE ARG 32 32.044 30.995 30.786 321 1HH1 ARG 32 1HH2 ARG 32 30.287 29.745 32.089 322 2HH1 ARG 32 2HH2 ARG 32 30.879 28.251 32.734 323 1HH2 ARG 32 1HH1 ARG 32 33.664 28.158 30.668 324 2HH2 ARG 32 2HH1 ARG 32 32.790 27.351 31.927 325 H LYS 33 H LYS 33 31.220 25.785 25.697 326 HA LYS 33 HA LYS 33 29.749 24.424 24.478 327 1HB LYS 33 1HB LYS 33 27.913 24.212 25.781 328 2HB LYS 33 2HB LYS 33 27.906 25.913 26.230 329 1HG LYS 33 1HG LYS 33 26.765 26.544 24.232 330 2HG LYS 33 2HG LYS 33 27.067 24.978 23.481 331 1HD LYS 33 1HD LYS 33 25.615 23.889 25.153 332 2HD LYS 33 2HD LYS 33 25.321 25.448 25.918 333 1HE LYS 33 1HE LYS 33 24.782 25.645 23.083 334 2HE LYS 33 2HE LYS 33 23.876 24.298 23.775 335 1HZ LYS 33 1HZ LYS 33 23.943 26.831 25.243 336 2HZ LYS 33 2HZ LYS 33 22.950 26.725 23.868 337 3HZ LYS 33 3HZ LYS 33 22.723 25.658 25.170 338 H LYS 34 H LYS 34 30.020 24.687 22.369 339 HA LYS 34 HA LYS 34 28.567 26.852 20.987 340 1HB LYS 34 1HB LYS 34 31.302 26.193 19.975 341 2HB LYS 34 2HB LYS 34 30.412 27.709 19.880 342 1HG LYS 34 1HG LYS 34 31.326 26.740 22.576 343 2HG LYS 34 2HG LYS 34 32.491 27.496 21.494 344 1HD LYS 34 1HD LYS 34 31.526 29.555 21.659 345 2HD LYS 34 2HD LYS 34 29.894 28.896 21.766 346 1HE LYS 34 1HE LYS 34 30.414 28.152 24.108 347 2HE LYS 34 2HE LYS 34 31.961 28.992 23.980 348 1HZ LYS 34 3HZ LYS 34 30.452 30.956 23.240 349 2HZ LYS 34 1HZ LYS 34 29.246 30.106 24.073 350 3HZ LYS 34 2HZ LYS 34 30.647 30.611 24.887 351 H ALA 35 H ALA 35 30.612 23.952 20.668 352 HA ALA 35 HA ALA 35 29.583 23.105 18.168 353 1HB ALA 35 3HB ALA 35 30.794 21.523 20.438 354 2HB ALA 35 1HB ALA 35 30.494 20.891 18.830 355 3HB ALA 35 2HB ALA 35 31.664 22.191 19.075 356 H VAL 36 H VAL 36 27.746 22.198 17.787 357 HA VAL 36 HA VAL 36 26.127 20.934 19.921 358 HB VAL 36 HB VAL 36 24.291 22.538 19.104 359 1HG1 VAL 36 3HG1 VAL 36 25.181 22.522 21.400 360 2HG1 VAL 36 1HG1 VAL 36 26.528 23.533 20.874 361 3HG1 VAL 36 2HG1 VAL 36 24.885 24.169 20.849 362 1HG2 VAL 36 1HG2 VAL 36 26.808 23.863 18.151 363 2HG2 VAL 36 2HG2 VAL 36 25.262 23.678 17.320 364 3HG2 VAL 36 3HG2 VAL 36 25.426 24.824 18.653 365 H ILE 37 H ILE 37 24.237 19.833 19.146 366 HA ILE 37 HA ILE 37 23.943 19.656 16.207 367 HB ILE 37 HB ILE 37 23.937 17.515 18.305 368 1HG1 ILE 37 1HG1 ILE 37 25.102 16.979 15.675 369 2HG1 ILE 37 2HG1 ILE 37 25.865 18.341 16.495 370 1HG2 ILE 37 3HG2 ILE 37 22.533 17.723 15.673 371 2HG2 ILE 37 1HG2 ILE 37 23.062 16.145 16.279 372 3HG2 ILE 37 2HG2 ILE 37 21.944 17.129 17.231 373 1HD1 ILE 37 2HD1 ILE 37 25.902 16.810 18.577 374 2HD1 ILE 37 3HD1 ILE 37 25.637 15.483 17.435 375 3HD1 ILE 37 1HD1 ILE 37 27.087 16.489 17.312 376 H PHE 38 H PHE 38 21.897 20.398 15.775 377 HA PHE 38 HA PHE 38 19.830 20.141 17.901 378 1HB PHE 38 1HB PHE 38 18.772 21.740 15.868 379 2HB PHE 38 2HB PHE 38 19.466 22.321 17.376 380 HD1 PHE 38 HD2 PHE 38 21.975 22.880 17.442 381 HD2 PHE 38 HD1 PHE 38 19.782 22.024 13.854 382 HE1 PHE 38 HE2 PHE 38 23.734 23.974 16.094 383 HE2 PHE 38 HE1 PHE 38 21.559 23.080 12.525 384 HZ PHE 38 HZ PHE 38 23.537 24.076 13.631 385 H CYS 39 H CYS 39 17.436 19.836 16.666 386 HA CYS 39 HA CYS 39 17.364 18.328 14.253 387 1HB CYS 39 1HB CYS 39 17.143 16.039 15.052 388 2HB CYS 39 2HB CYS 39 18.669 16.699 15.648 389 HG CYS 39 HG CYS 39 17.462 15.636 17.701 390 H LEU 40 H LEU 40 15.639 20.209 15.051 391 HA LEU 40 HA LEU 40 13.380 20.634 15.177 392 1HB LEU 40 1HB LEU 40 13.384 17.688 14.668 393 2HB LEU 40 2HB LEU 40 11.887 18.614 14.811 394 HG LEU 40 HG LEU 40 12.343 19.897 12.939 395 1HD1 LEU 40 3HD1 LEU 40 14.533 20.706 13.678 396 2HD1 LEU 40 1HD1 LEU 40 15.261 19.168 13.178 397 3HD1 LEU 40 2HD1 LEU 40 14.561 20.243 11.966 398 1HD2 LEU 40 1HD2 LEU 40 12.295 17.288 12.550 399 2HD2 LEU 40 2HD2 LEU 40 12.658 18.374 11.205 400 3HD2 LEU 40 3HD2 LEU 40 13.973 17.543 12.046 401 H SER 41 H SER 41 12.187 21.210 16.802 402 HA SER 41 HA SER 41 12.550 20.836 19.456 403 1HB SER 41 1HB SER 41 10.910 22.404 18.514 404 2HB SER 41 2HB SER 41 9.849 21.054 18.116 405 HG SER 41 HG SER 41 10.112 22.360 20.430 406 H ALA 42 H ALA 42 10.985 19.672 21.047 407 HA ALA 42 HA ALA 42 11.193 16.824 20.623 408 1HB ALA 42 2HB ALA 42 11.111 18.194 22.858 409 2HB ALA 42 3HB ALA 42 9.363 18.047 22.676 410 3HB ALA 42 1HB ALA 42 10.361 16.598 22.804 411 H ASP 43 H ASP 43 8.956 19.097 19.478 412 HA ASP 43 HA ASP 43 6.878 16.959 19.205 413 1HB ASP 43 1HB ASP 43 5.292 18.861 18.809 414 2HB ASP 43 2HB ASP 43 6.020 18.889 20.415 415 H LYS 44 H LYS 44 9.363 18.205 17.554 416 HA LYS 44 HA LYS 44 9.874 18.038 15.254 417 1HB LYS 44 1HB LYS 44 7.522 16.532 15.442 418 2HB LYS 44 2HB LYS 44 7.164 17.756 14.219 419 1HG LYS 44 1HG LYS 44 9.783 16.896 13.664 420 2HG LYS 44 2HG LYS 44 8.870 15.426 14.012 421 1HD LYS 44 1HD LYS 44 7.706 17.532 12.210 422 2HD LYS 44 2HD LYS 44 8.862 16.361 11.573 423 1HE LYS 44 1HE LYS 44 6.817 15.102 13.238 424 2HE LYS 44 2HE LYS 44 6.126 15.945 11.854 425 1HZ LYS 44 1HZ LYS 44 8.335 13.968 11.733 426 2HZ LYS 44 2HZ LYS 44 6.717 13.661 11.319 427 3HZ LYS 44 3HZ LYS 44 7.637 14.760 10.406 428 H LYS 45 H LYS 45 10.416 19.944 14.596 429 HA LYS 45 HA LYS 45 9.382 21.817 13.129 430 1HB LYS 45 1HB LYS 45 7.982 21.853 15.745 431 2HB LYS 45 2HB LYS 45 8.386 23.406 14.952 432 1HG LYS 45 1HG LYS 45 7.081 22.914 13.050 433 2HG LYS 45 2HG LYS 45 7.039 21.187 13.419 434 1HD LYS 45 1HD LYS 45 5.576 21.557 15.308 435 2HD LYS 45 2HD LYS 45 5.756 23.306 15.167 436 1HE LYS 45 1HE LYS 45 4.118 23.423 13.628 437 2HE LYS 45 2HE LYS 45 4.856 22.145 12.661 438 1HZ LYS 45 2HZ LYS 45 3.877 20.825 14.819 439 2HZ LYS 45 3HZ LYS 45 2.686 21.999 14.533 440 3HZ LYS 45 1HZ LYS 45 3.129 20.921 13.297 441 H CYS 46 H CYS 46 10.874 23.317 13.055 442 HA CYS 46 HA CYS 46 12.431 24.959 13.735 443 1HB CYS 46 1HB CYS 46 12.103 23.885 16.575 444 2HB CYS 46 2HB CYS 46 12.701 25.469 16.084 445 HG CYS 46 HG CYS 46 9.705 24.602 16.044 446 H ILE 47 H ILE 47 14.474 24.401 13.183 447 HA ILE 47 HA ILE 47 15.856 22.004 13.649 448 HB ILE 47 HB ILE 47 16.444 24.505 12.659 449 1HG1 ILE 47 1HG1 ILE 47 18.919 23.389 12.845 450 2HG1 ILE 47 2HG1 ILE 47 17.892 21.987 13.152 451 1HG2 ILE 47 1HG2 ILE 47 16.756 25.198 15.059 452 2HG2 ILE 47 2HG2 ILE 47 18.160 24.119 15.116 453 3HG2 ILE 47 3HG2 ILE 47 18.148 25.499 14.014 454 1HD1 ILE 47 2HD1 ILE 47 16.790 23.635 11.035 455 2HD1 ILE 47 3HD1 ILE 47 18.445 23.111 10.654 456 3HD1 ILE 47 1HD1 ILE 47 17.207 21.909 11.026 457 H ILE 48 H ILE 48 17.049 21.309 15.713 458 HA ILE 48 HA ILE 48 16.931 23.253 17.877 459 HB ILE 48 HB ILE 48 14.659 22.159 17.297 460 1HG1 ILE 48 1HG1 ILE 48 15.772 23.578 19.397 461 2HG1 ILE 48 2HG1 ILE 48 14.043 23.322 19.129 462 1HG2 ILE 48 3HG2 ILE 48 15.863 20.246 19.303 463 2HG2 ILE 48 1HG2 ILE 48 14.167 20.302 18.841 464 3HG2 ILE 48 2HG2 ILE 48 15.385 19.854 17.654 465 1HD1 ILE 48 3HD1 ILE 48 15.809 21.342 20.566 466 2HD1 ILE 48 1HD1 ILE 48 14.868 22.580 21.408 467 3HD1 ILE 48 2HD1 ILE 48 14.047 21.335 20.462 468 H VAL 49 H VAL 49 18.260 22.917 19.338 469 HA VAL 49 HA VAL 49 20.020 20.635 19.558 470 HB VAL 49 HB VAL 49 19.442 23.074 21.171 471 1HG1 VAL 49 3HG1 VAL 49 20.395 20.482 22.248 472 2HG1 VAL 49 1HG1 VAL 49 21.353 21.892 22.704 473 3HG1 VAL 49 2HG1 VAL 49 19.631 21.838 23.081 474 1HG2 VAL 49 1HG2 VAL 49 21.687 21.864 19.646 475 2HG2 VAL 49 2HG2 VAL 49 21.198 23.554 19.774 476 3HG2 VAL 49 3HG2 VAL 49 22.131 22.804 21.070 477 H GLU 50 H GLU 50 18.558 18.774 19.777 478 HA GLU 50 HA GLU 50 17.320 18.617 22.457 479 1HB GLU 50 1HB GLU 50 15.507 19.555 21.187 480 2HB GLU 50 2HB GLU 50 15.776 18.408 19.876 481 1HG GLU 50 1HG GLU 50 13.866 17.658 21.186 482 2HG GLU 50 2HG GLU 50 15.204 16.547 21.464 483 H GLU 51 H GLU 51 18.923 17.051 22.793 484 HA GLU 51 HA GLU 51 18.054 14.425 22.501 485 1HB GLU 51 1HB GLU 51 18.762 13.735 20.458 486 2HB GLU 51 2HB GLU 51 18.851 15.469 20.117 487 1HG GLU 51 1HG GLU 51 20.977 14.684 19.542 488 2HG GLU 51 2HG GLU 51 21.170 15.390 21.145 489 H GLY 52 H GLY 52 20.669 16.607 22.812 490 1HA GLY 52 1HA GLY 52 22.126 16.592 24.759 491 2HA GLY 52 2HA GLY 52 21.865 14.856 24.893 492 H LYS 53 H LYS 53 23.281 17.224 22.607 493 HA LYS 53 HA LYS 53 25.554 15.348 22.205 494 1HB LYS 53 1HB LYS 53 24.618 17.108 19.961 495 2HB LYS 53 2HB LYS 53 25.437 15.550 19.879 496 1HG LYS 53 1HG LYS 53 22.912 15.173 21.158 497 2HG LYS 53 2HG LYS 53 22.645 16.083 19.672 498 1HD LYS 53 1HD LYS 53 22.554 13.657 19.256 499 2HD LYS 53 2HD LYS 53 23.932 14.377 18.423 500 1HE LYS 53 1HE LYS 53 25.478 13.483 19.943 501 2HE LYS 53 2HE LYS 53 24.284 13.356 21.227 502 1HZ LYS 53 2HZ LYS 53 23.370 11.760 19.165 503 2HZ LYS 53 3HZ LYS 53 25.026 11.420 19.299 504 3HZ LYS 53 1HZ LYS 53 24.013 11.250 20.653 505 H GLU 54 H GLU 54 26.368 17.606 20.210 506 HA GLU 54 HA GLU 54 27.354 19.742 20.273 507 1HB GLU 54 1HB GLU 54 26.430 21.199 21.718 508 2HB GLU 54 2HB GLU 54 25.538 19.847 22.408 509 1HG GLU 54 1HG GLU 54 27.436 19.381 23.937 510 2HG GLU 54 2HG GLU 54 28.316 20.757 23.267 511 H ILE 55 H ILE 55 29.431 20.296 20.583 512 HA ILE 55 HA ILE 55 31.038 18.718 22.527 513 HB ILE 55 HB ILE 55 31.394 19.401 19.780 514 1HG1 ILE 55 1HG1 ILE 55 33.225 18.007 21.684 515 2HG1 ILE 55 2HG1 ILE 55 31.747 17.253 21.018 516 1HG2 ILE 55 3HG2 ILE 55 33.410 20.539 21.701 517 2HG2 ILE 55 1HG2 ILE 55 33.908 19.867 20.158 518 3HG2 ILE 55 2HG2 ILE 55 32.803 21.233 20.197 519 1HD1 ILE 55 2HD1 ILE 55 32.880 18.479 18.860 520 2HD1 ILE 55 3HD1 ILE 55 34.279 17.831 19.713 521 3HD1 ILE 55 1HD1 ILE 55 32.966 16.759 19.222 522 H LEU 56 H LEU 56 32.727 20.032 23.610 523 HA LEU 56 HA LEU 56 31.723 22.795 24.061 524 1HB LEU 56 1HB LEU 56 33.627 21.084 25.680 525 2HB LEU 56 2HB LEU 56 33.307 22.787 26.023 526 HG LEU 56 HG LEU 56 31.882 21.207 27.360 527 1HD1 LEU 56 3HD1 LEU 56 31.278 23.593 26.596 528 2HD1 LEU 56 1HD1 LEU 56 30.256 22.818 25.386 529 3HD1 LEU 56 2HD1 LEU 56 29.939 22.563 27.105 530 1HD2 LEU 56 3HD2 LEU 56 31.739 19.657 25.266 531 2HD2 LEU 56 1HD2 LEU 56 30.299 19.824 26.281 532 3HD2 LEU 56 2HD2 LEU 56 30.427 20.724 24.764 533 H VAL 57 H VAL 57 32.950 22.286 21.650 534 HA VAL 57 HA VAL 57 34.950 22.669 20.400 535 HB VAL 57 HB VAL 57 34.346 24.762 19.866 536 1HG1 VAL 57 3HG1 VAL 57 33.218 24.727 22.560 537 2HG1 VAL 57 1HG1 VAL 57 33.778 26.321 22.092 538 3HG1 VAL 57 2HG1 VAL 57 32.604 25.472 21.088 539 1HG2 VAL 57 1HG2 VAL 57 36.746 24.978 20.781 540 2HG2 VAL 57 2HG2 VAL 57 35.827 26.462 20.536 541 3HG2 VAL 57 3HG2 VAL 57 36.008 25.794 22.154 542 H GLY 58 H GLY 58 35.723 24.512 23.385 543 1HA GLY 58 1HA GLY 58 38.501 24.000 23.302 544 2HA GLY 58 2HA GLY 58 37.605 24.368 24.777 545 H ASP 59 H ASP 59 35.891 22.083 24.918 546 HA ASP 59 HA ASP 59 37.303 20.143 26.283 547 1HB ASP 59 1HB ASP 59 34.783 20.059 24.672 548 2HB ASP 59 2HB ASP 59 35.577 18.503 24.937 549 H VAL 60 H VAL 60 36.966 20.658 22.901 550 HA VAL 60 HA VAL 60 38.160 18.327 21.866 551 HB VAL 60 HB VAL 60 38.333 21.114 20.712 552 1HG1 VAL 60 2HG1 VAL 60 38.223 18.371 19.450 553 2HG1 VAL 60 3HG1 VAL 60 38.284 19.902 18.573 554 3HG1 VAL 60 1HG1 VAL 60 39.643 19.405 19.579 555 1HG2 VAL 60 2HG2 VAL 60 35.993 20.504 21.451 556 2HG2 VAL 60 3HG2 VAL 60 36.150 20.720 19.708 557 3HG2 VAL 60 1HG2 VAL 60 36.083 19.097 20.392 558 H GLY 61 H GLY 61 39.986 17.651 22.773 559 1HA GLY 61 1HA GLY 61 42.503 18.032 22.264 560 2HA GLY 61 2HA GLY 61 42.247 19.555 23.120 561 H VAL 62 H VAL 62 40.334 18.527 24.925 562 HA VAL 62 HA VAL 62 42.100 17.262 26.911 563 HB VAL 62 HB VAL 62 39.382 18.521 26.885 564 1HG1 VAL 62 1HG1 VAL 62 40.254 16.276 28.628 565 2HG1 VAL 62 2HG1 VAL 62 39.447 17.628 29.425 566 3HG1 VAL 62 3HG1 VAL 62 38.631 16.751 28.128 567 1HG2 VAL 62 2HG2 VAL 62 41.952 18.777 28.438 568 2HG2 VAL 62 3HG2 VAL 62 41.101 20.004 27.502 569 3HG2 VAL 62 1HG2 VAL 62 40.455 19.475 29.054 570 H THR 63 H THR 63 38.682 16.548 26.354 571 HA THR 63 HA THR 63 39.168 13.677 26.584 572 HB THR 63 HB THR 63 36.597 14.935 25.657 573 HG1 THR 63 HG1 THR 63 36.808 16.161 27.373 574 1HG2 THR 63 1HG2 THR 63 37.411 12.367 26.355 575 2HG2 THR 63 2HG2 THR 63 36.519 12.935 27.765 576 3HG2 THR 63 3HG2 THR 63 35.746 12.920 26.181 577 H ILE 64 H ILE 64 38.794 16.152 24.202 578 HA ILE 64 HA ILE 64 38.727 14.077 22.053 579 HB ILE 64 HB ILE 64 38.201 16.704 21.043 580 1HG1 ILE 64 1HG1 ILE 64 36.713 15.881 23.560 581 2HG1 ILE 64 2HG1 ILE 64 37.561 17.393 23.283 582 1HG2 ILE 64 1HG2 ILE 64 37.402 14.245 20.483 583 2HG2 ILE 64 2HG2 ILE 64 36.117 14.631 21.640 584 3HG2 ILE 64 3HG2 ILE 64 36.325 15.608 20.183 585 1HD1 ILE 64 3HD1 ILE 64 35.683 17.069 21.170 586 2HD1 ILE 64 1HD1 ILE 64 34.836 16.760 22.687 587 3HD1 ILE 64 2HD1 ILE 64 35.677 18.291 22.442 588 H THR 65 H THR 65 39.785 15.894 19.957 589 HA THR 65 HA THR 65 42.412 16.680 21.075 590 HB THR 65 HB THR 65 43.683 15.204 19.630 591 HG1 THR 65 HG1 THR 65 42.744 14.219 18.039 592 1HG2 THR 65 3HG2 THR 65 42.855 14.458 21.892 593 2HG2 THR 65 1HG2 THR 65 41.529 13.638 21.069 594 3HG2 THR 65 2HG2 THR 65 43.195 13.136 20.772 595 H ASP 66 H ASP 66 40.051 17.666 19.167 596 HA ASP 66 HA ASP 66 40.220 19.704 17.908 597 1HB ASP 66 1HB ASP 66 42.760 19.519 18.543 598 2HB ASP 66 2HB ASP 66 42.910 19.027 16.851 599 HA PRO 67 HA PRO 67 40.452 17.138 13.903 600 1HB PRO 67 1HB PRO 67 39.448 14.601 14.194 601 2HB PRO 67 2HB PRO 67 41.173 14.970 14.298 602 1HG PRO 67 1HG PRO 67 39.252 14.377 16.512 603 2HG PRO 67 2HG PRO 67 40.989 14.039 16.410 604 1HD PRO 67 1HD PRO 67 39.846 16.179 17.839 605 2HD PRO 67 2HD PRO 67 41.546 16.054 17.328 606 H PHE 68 H PHE 68 37.931 15.029 14.905 607 HA PHE 68 HA PHE 68 35.764 16.839 15.315 608 1HB PHE 68 1HB PHE 68 34.852 17.141 13.192 609 2HB PHE 68 2HB PHE 68 36.573 17.145 12.781 610 HD1 PHE 68 HD1 PHE 68 37.692 14.930 12.306 611 HD2 PHE 68 HD2 PHE 68 33.439 15.456 12.306 612 HE1 PHE 68 HE1 PHE 68 37.430 12.817 11.083 613 HE2 PHE 68 HE2 PHE 68 33.185 13.318 11.079 614 HZ PHE 68 HZ PHE 68 35.178 11.993 10.480 615 H LYS 69 H LYS 69 37.004 13.778 14.122 616 HA LYS 69 HA LYS 69 34.750 12.145 13.956 617 1HB LYS 69 1HB LYS 69 36.340 10.286 14.584 618 2HB LYS 69 2HB LYS 69 36.873 11.321 13.254 619 1HG LYS 69 1HG LYS 69 38.781 11.488 14.481 620 2HG LYS 69 2HG LYS 69 37.851 12.689 15.376 621 1HD LYS 69 1HD LYS 69 38.782 11.159 16.991 622 2HD LYS 69 2HD LYS 69 37.052 10.832 16.882 623 1HE LYS 69 1HE LYS 69 37.678 8.677 16.554 624 2HE LYS 69 2HE LYS 69 38.061 9.199 14.913 625 1HZ LYS 69 3HZ LYS 69 40.314 9.695 15.642 626 2HZ LYS 69 1HZ LYS 69 39.940 9.175 17.212 627 3HZ LYS 69 2HZ LYS 69 39.929 8.064 15.926 628 H HIS 70 H HIS 70 35.622 13.747 16.811 629 HA HIS 70 HA HIS 70 34.618 11.537 18.502 630 1HB HIS 70 1HB HIS 70 36.010 12.544 19.958 631 2HB HIS 70 2HB HIS 70 36.069 14.025 18.989 632 HD1 HIS 70 HD1 HIS 70 33.693 12.230 21.359 633 HD2 HIS 70 HD2 HIS 70 34.444 16.021 19.888 634 HE1 HIS 70 HE1 HIS 70 32.131 13.805 22.550 635 H PHE 71 H PHE 71 33.818 14.783 17.373 636 HA PHE 71 HA PHE 71 31.315 14.974 18.733 637 1HB PHE 71 1HB PHE 71 31.903 17.098 17.986 638 2HB PHE 71 2HB PHE 71 32.792 16.461 16.611 639 HD1 PHE 71 HD1 PHE 71 31.472 15.732 14.564 640 HD2 PHE 71 HD2 PHE 71 29.750 17.916 17.830 641 HE1 PHE 71 HE1 PHE 71 29.588 16.416 13.112 642 HE2 PHE 71 HE2 PHE 71 27.864 18.595 16.396 643 HZ PHE 71 HZ PHE 71 27.775 17.855 14.022 644 H VAL 72 H VAL 72 32.443 13.273 15.977 645 HA VAL 72 HA VAL 72 29.953 12.907 14.581 646 HB VAL 72 HB VAL 72 31.125 11.275 13.378 647 1HG1 VAL 72 3HG1 VAL 72 32.001 13.559 13.098 648 2HG1 VAL 72 1HG1 VAL 72 33.211 13.203 14.332 649 3HG1 VAL 72 2HG1 VAL 72 33.219 12.313 12.816 650 1HG2 VAL 72 2HG2 VAL 72 32.513 10.846 15.915 651 2HG2 VAL 72 3HG2 VAL 72 32.056 9.680 14.679 652 3HG2 VAL 72 1HG2 VAL 72 33.508 10.659 14.476 653 H GLY 73 H GLY 73 31.552 11.540 17.277 654 1HA GLY 73 1HA GLY 73 29.972 9.163 17.612 655 2HA GLY 73 2HA GLY 73 30.904 9.954 18.892 656 H MET 74 H MET 74 29.570 12.569 18.324 657 HA MET 74 HA MET 74 27.147 12.140 19.954 658 1HB MET 74 1HB MET 74 27.997 14.770 18.740 659 2HB MET 74 2HB MET 74 27.111 14.486 20.238 660 1HG MET 74 1HG MET 74 29.191 13.386 21.159 661 2HG MET 74 2HG MET 74 30.043 13.932 19.716 662 1HE MET 74 3HE MET 74 29.550 16.102 18.767 663 2HE MET 74 1HE MET 74 29.700 17.622 19.652 664 3HE MET 74 2HE MET 74 31.105 16.518 19.540 665 H LEU 75 H LEU 75 27.587 11.328 17.019 666 HA LEU 75 HA LEU 75 25.025 12.430 16.020 667 1HB LEU 75 1HB LEU 75 27.455 11.946 14.266 668 2HB LEU 75 2HB LEU 75 25.964 12.754 13.828 669 HG LEU 75 HG LEU 75 27.730 13.828 15.999 670 1HD1 LEU 75 2HD1 LEU 75 28.351 13.575 13.232 671 2HD1 LEU 75 3HD1 LEU 75 27.924 15.262 13.510 672 3HD1 LEU 75 1HD1 LEU 75 29.214 14.515 14.448 673 1HD2 LEU 75 3HD2 LEU 75 25.652 15.028 14.140 674 2HD2 LEU 75 1HD2 LEU 75 25.394 14.629 15.838 675 3HD2 LEU 75 2HD2 LEU 75 26.534 15.902 15.388 676 HA PRO 76 HA PRO 76 25.190 7.844 15.704 677 1HB PRO 76 1HB PRO 76 22.529 7.441 16.266 678 2HB PRO 76 2HB PRO 76 23.782 7.604 17.508 679 1HG PRO 76 1HG PRO 76 21.700 9.560 16.684 680 2HG PRO 76 2HG PRO 76 22.550 9.412 18.230 681 1HD PRO 76 1HD PRO 76 23.101 11.299 16.177 682 2HD PRO 76 2HD PRO 76 24.107 10.977 17.606 683 H GLU 77 H GLU 77 23.429 6.373 14.419 684 HA GLU 77 HA GLU 77 23.149 7.672 11.773 685 1HB GLU 77 1HB GLU 77 22.402 4.845 12.164 686 2HB GLU 77 2HB GLU 77 23.421 5.576 10.918 687 1HG GLU 77 1HG GLU 77 25.183 5.894 12.732 688 2HG GLU 77 2HG GLU 77 24.193 4.848 13.749 689 H LYS 78 H LYS 78 21.301 7.026 14.470 690 HA LYS 78 HA LYS 78 18.768 6.796 12.923 691 1HB LYS 78 1HB LYS 78 17.915 6.363 15.404 692 2HB LYS 78 2HB LYS 78 18.664 5.071 14.463 693 1HG LYS 78 1HG LYS 78 19.707 5.131 16.653 694 2HG LYS 78 2HG LYS 78 20.865 5.699 15.454 695 1HD LYS 78 1HD LYS 78 20.733 7.920 16.159 696 2HD LYS 78 2HD LYS 78 19.113 7.700 16.831 697 1HE LYS 78 1HE LYS 78 21.488 6.260 18.003 698 2HE LYS 78 2HE LYS 78 21.086 7.904 18.496 699 1HZ LYS 78 1HZ LYS 78 18.804 6.177 18.460 700 2HZ LYS 78 2HZ LYS 78 20.011 5.616 19.512 701 3HZ LYS 78 3HZ LYS 78 19.382 7.182 19.702 702 H ASP 79 H ASP 79 20.543 9.194 13.835 703 HA ASP 79 HA ASP 79 18.247 10.921 14.509 704 1HB ASP 79 1HB ASP 79 20.865 11.066 16.044 705 2HB ASP 79 2HB ASP 79 19.427 12.043 16.318 706 H CYS 80 H CYS 80 18.315 12.317 12.842 707 HA CYS 80 HA CYS 80 20.702 12.825 11.287 708 1HB CYS 80 1HB CYS 80 17.877 13.546 11.309 709 2HB CYS 80 2HB CYS 80 18.890 14.905 10.865 710 HG CYS 80 HG CYS 80 18.150 13.089 8.856 711 H ARG 81 H ARG 81 18.819 15.473 12.528 712 HA ARG 81 HA ARG 81 19.304 17.180 13.991 713 1HB ARG 81 1HB ARG 81 21.791 15.769 14.906 714 2HB ARG 81 2HB ARG 81 20.653 16.726 15.843 715 1HG ARG 81 1HG ARG 81 18.957 14.885 15.540 716 2HG ARG 81 2HG ARG 81 20.224 13.916 14.798 717 1HD ARG 81 1HD ARG 81 20.931 13.291 16.826 718 2HD ARG 81 2HD ARG 81 21.310 14.973 17.193 719 HE ARG 81 HE ARG 81 19.148 15.174 18.273 720 1HH1 ARG 81 1HH1 ARG 81 17.005 13.842 17.619 721 2HH1 ARG 81 2HH1 ARG 81 17.069 12.242 18.278 722 1HH2 ARG 81 1HH2 ARG 81 20.489 12.316 18.828 723 2HH2 ARG 81 2HH2 ARG 81 19.039 11.376 18.958 724 H TYR 82 H TYR 82 20.034 19.014 12.950 725 HA TYR 82 HA TYR 82 22.418 19.012 11.286 726 1HB TYR 82 1HB TYR 82 20.638 21.147 12.451 727 2HB TYR 82 2HB TYR 82 22.138 21.581 11.641 728 HD1 TYR 82 HD2 TYR 82 22.483 20.486 9.269 729 HD2 TYR 82 HD1 TYR 82 18.699 20.934 11.209 730 HE1 TYR 82 HE2 TYR 82 21.344 20.366 7.070 731 HE2 TYR 82 HE1 TYR 82 17.552 20.858 8.990 732 HH TYR 82 HH TYR 82 17.802 20.760 6.842 733 H ALA 83 H ALA 83 24.206 20.897 12.089 734 HA ALA 83 HA ALA 83 24.444 21.053 14.952 735 1HB ALA 83 3HB ALA 83 24.952 18.687 14.715 736 2HB ALA 83 1HB ALA 83 26.249 19.074 13.585 737 3HB ALA 83 2HB ALA 83 26.367 19.586 15.267 738 H LEU 84 H LEU 84 25.587 22.745 15.439 739 HA LEU 84 HA LEU 84 27.558 23.838 13.534 740 1HB LEU 84 1HB LEU 84 25.992 24.957 15.826 741 2HB LEU 84 2HB LEU 84 27.461 25.771 15.297 742 HG LEU 84 HG LEU 84 24.889 25.353 13.792 743 1HD1 LEU 84 2HD1 LEU 84 26.326 27.518 15.014 744 2HD1 LEU 84 3HD1 LEU 84 26.240 27.808 13.277 745 3HD1 LEU 84 1HD1 LEU 84 24.760 27.567 14.205 746 1HD2 LEU 84 3HD2 LEU 84 27.683 25.514 12.735 747 2HD2 LEU 84 1HD2 LEU 84 26.316 24.564 12.158 748 3HD2 LEU 84 2HD2 LEU 84 26.382 26.298 11.846 749 H TYR 85 H TYR 85 29.482 22.751 13.907 750 HA TYR 85 HA TYR 85 30.307 22.394 16.740 751 1HB TYR 85 1HB TYR 85 30.583 20.374 15.564 752 2HB TYR 85 2HB TYR 85 31.199 21.197 14.123 753 HD1 TYR 85 HD2 TYR 85 31.901 21.056 17.763 754 HD2 TYR 85 HD1 TYR 85 33.536 21.141 13.792 755 HE1 TYR 85 HE2 TYR 85 34.189 20.863 18.712 756 HE2 TYR 85 HE1 TYR 85 35.833 20.913 14.733 757 HH TYR 85 HH TYR 85 36.585 21.499 17.885 758 H ASP 86 H ASP 86 31.441 24.213 17.476 759 HA ASP 86 HA ASP 86 32.878 26.044 15.862 760 1HB ASP 86 1HB ASP 86 32.723 25.403 18.683 761 2HB ASP 86 2HB ASP 86 34.406 25.675 18.229 762 H ALA 87 H ALA 87 34.380 25.391 14.349 763 HA ALA 87 HA ALA 87 35.753 22.857 14.666 764 1HB ALA 87 3HB ALA 87 35.201 24.547 12.512 765 2HB ALA 87 1HB ALA 87 36.963 24.520 12.638 766 3HB ALA 87 2HB ALA 87 36.056 23.009 12.463 767 H SER 88 H SER 88 38.257 23.633 13.539 768 HA SER 88 HA SER 88 39.694 25.545 14.992 769 1HB SER 88 1HB SER 88 40.808 23.835 16.618 770 2HB SER 88 2HB SER 88 39.265 24.571 17.056 771 HG SER 88 HG SER 88 38.309 22.700 16.817 772 H PHE 89 H PHE 89 40.732 25.629 13.060 773 HA PHE 89 HA PHE 89 42.796 23.552 12.576 774 1HB PHE 89 1HB PHE 89 42.091 23.251 10.268 775 2HB PHE 89 2HB PHE 89 40.730 22.888 11.337 776 HD1 PHE 89 HD1 PHE 89 38.891 24.542 11.666 777 HD2 PHE 89 HD2 PHE 89 42.092 25.240 8.868 778 HE1 PHE 89 HE1 PHE 89 37.561 26.329 10.570 779 HE2 PHE 89 HE2 PHE 89 40.761 27.031 7.794 780 HZ PHE 89 HZ PHE 89 38.496 27.574 8.640 781 H GLU 90 H GLU 90 44.563 24.333 11.309 782 HA GLU 90 HA GLU 90 44.583 27.267 10.905 783 1HB GLU 90 1HB GLU 90 46.781 25.248 10.350 784 2HB GLU 90 2HB GLU 90 46.929 27.009 10.223 785 1HG GLU 90 1HG GLU 90 47.109 27.286 12.445 786 2HG GLU 90 2HG GLU 90 45.884 26.065 12.802 787 H THR 91 H THR 91 45.485 27.937 8.718 788 HA THR 91 HA THR 91 44.664 26.080 6.583 789 HB THR 91 HB THR 91 42.619 27.204 6.705 790 HG1 THR 91 HG1 THR 91 42.644 28.215 4.874 791 1HG2 THR 91 3HG2 THR 91 43.424 28.594 8.612 792 2HG2 THR 91 1HG2 THR 91 44.089 29.747 7.438 793 3HG2 THR 91 2HG2 THR 91 42.348 29.452 7.513 794 H LYS 92 H LYS 92 45.132 27.689 4.324 795 HA LYS 92 HA LYS 92 47.902 28.312 4.415 796 1HB LYS 92 1HB LYS 92 45.648 29.383 2.674 797 2HB LYS 92 2HB LYS 92 47.337 29.829 2.428 798 1HG LYS 92 1HG LYS 92 47.853 27.350 2.256 799 2HG LYS 92 2HG LYS 92 46.112 27.067 2.219 800 1HD LYS 92 1HD LYS 92 46.186 27.428 -0.004 801 2HD LYS 92 2HD LYS 92 46.557 29.116 0.350 802 1HE LYS 92 1HE LYS 92 48.391 28.537 -0.959 803 2HE LYS 92 2HE LYS 92 49.013 28.184 0.653 804 1HZ LYS 92 1HZ LYS 92 47.576 26.103 -0.849 805 2HZ LYS 92 2HZ LYS 92 49.209 26.416 -1.199 806 3HZ LYS 92 3HZ LYS 92 48.748 25.932 0.363 807 H GLU 93 H GLU 93 44.960 29.869 5.381 808 HA GLU 93 HA GLU 93 46.029 32.499 5.866 809 1HB GLU 93 1HB GLU 93 43.784 31.530 7.559 810 2HB GLU 93 2HB GLU 93 43.958 33.051 6.686 811 1HG GLU 93 1HG GLU 93 43.785 31.514 4.554 812 2HG GLU 93 2HG GLU 93 43.012 30.395 5.674 813 H SER 94 H SER 94 45.742 29.545 7.727 814 HA SER 94 HA SER 94 47.611 29.072 9.331 815 1HB SER 94 1HB SER 94 46.769 31.799 10.248 816 2HB SER 94 2HB SER 94 47.825 30.716 11.154 817 HG SER 94 HG SER 94 49.376 31.541 9.997 818 H ARG 95 H ARG 95 47.136 29.285 11.951 819 HA ARG 95 HA ARG 95 44.979 27.685 12.526 820 1HB ARG 95 1HB ARG 95 45.451 28.099 14.754 821 2HB ARG 95 2HB ARG 95 46.984 28.483 13.983 822 1HG ARG 95 1HG ARG 95 46.772 30.736 14.377 823 2HG ARG 95 2HG ARG 95 45.011 30.702 14.291 824 1HD ARG 95 1HD ARG 95 45.010 29.342 16.371 825 2HD ARG 95 2HD ARG 95 46.737 29.673 16.510 826 HE ARG 95 HE ARG 95 45.513 32.182 16.215 827 1HH1 ARG 95 1HH1 ARG 95 44.781 29.494 18.212 828 2HH1 ARG 95 2HH1 ARG 95 44.608 30.432 19.657 829 1HH2 ARG 95 1HH2 ARG 95 45.542 33.415 18.145 830 2HH2 ARG 95 2HH2 ARG 95 45.042 32.656 19.619 831 H LYS 96 H LYS 96 42.990 28.039 12.804 832 HA LYS 96 HA LYS 96 41.633 30.508 13.307 833 1HB LYS 96 1HB LYS 96 41.973 29.620 10.433 834 2HB LYS 96 2HB LYS 96 40.513 30.478 10.926 835 1HG LYS 96 1HG LYS 96 42.365 32.091 12.047 836 2HG LYS 96 2HG LYS 96 43.315 31.471 10.691 837 1HD LYS 96 1HD LYS 96 40.824 32.044 9.567 838 2HD LYS 96 2HD LYS 96 41.106 33.382 10.682 839 1HE LYS 96 1HE LYS 96 43.553 32.761 9.297 840 2HE LYS 96 2HE LYS 96 42.261 33.007 8.123 841 1HZ LYS 96 2HZ LYS 96 42.781 34.871 10.369 842 2HZ LYS 96 3HZ LYS 96 43.480 35.057 8.833 843 3HZ LYS 96 1HZ LYS 96 41.795 35.129 9.010 844 H GLU 97 H GLU 97 39.892 29.656 14.396 845 HA GLU 97 HA GLU 97 38.966 26.968 13.664 846 1HB GLU 97 1HB GLU 97 39.254 26.976 15.944 847 2HB GLU 97 2HB GLU 97 38.891 28.694 16.088 848 1HG GLU 97 1HG GLU 97 36.572 28.311 15.720 849 2HG GLU 97 2HG GLU 97 36.864 26.616 15.321 850 H GLU 98 H GLU 98 37.333 26.921 12.319 851 HA GLU 98 HA GLU 98 35.192 28.983 12.546 852 1HB GLU 98 1HB GLU 98 35.838 29.685 10.515 853 2HB GLU 98 2HB GLU 98 36.816 28.252 10.225 854 1HG GLU 98 1HG GLU 98 35.083 27.115 9.192 855 2HG GLU 98 2HG GLU 98 33.837 27.954 10.118 856 H LEU 99 H LEU 99 33.619 27.892 13.478 857 HA LEU 99 HA LEU 99 32.927 25.192 13.534 858 1HB LEU 99 1HB LEU 99 30.602 25.917 13.841 859 2HB LEU 99 2HB LEU 99 31.684 27.019 14.714 860 HG LEU 99 HG LEU 99 31.497 27.894 12.000 861 1HD1 LEU 99 2HD1 LEU 99 29.036 26.762 13.038 862 2HD1 LEU 99 3HD1 LEU 99 28.851 28.486 12.706 863 3HD1 LEU 99 1HD1 LEU 99 29.386 27.388 11.414 864 1HD2 LEU 99 2HD2 LEU 99 31.509 28.896 14.637 865 2HD2 LEU 99 3HD2 LEU 99 31.642 29.815 13.137 866 3HD2 LEU 99 1HD2 LEU 99 30.056 29.538 13.858 867 H MET 100 H MET 100 31.057 24.167 12.407 868 HA MET 100 HA MET 100 30.659 25.051 9.636 869 1HB MET 100 1HB MET 100 31.722 22.341 10.327 870 2HB MET 100 2HB MET 100 31.447 23.007 8.708 871 1HG MET 100 1HG MET 100 33.014 24.862 9.288 872 2HG MET 100 2HG MET 100 33.419 24.009 10.772 873 1HE MET 100 2HE MET 100 32.889 21.214 9.810 874 2HE MET 100 3HE MET 100 32.373 21.648 8.175 875 3HE MET 100 1HE MET 100 33.768 20.592 8.410 876 H PHE 101 H PHE 101 28.724 24.683 8.999 877 HA PHE 101 HA PHE 101 26.698 23.684 10.628 878 1HB PHE 101 1HB PHE 101 26.648 25.020 8.376 879 2HB PHE 101 2HB PHE 101 26.595 23.424 7.664 880 HD1 PHE 101 HD1 PHE 101 25.093 23.529 10.905 881 HD2 PHE 101 HD2 PHE 101 24.381 24.302 6.742 882 HE1 PHE 101 HE1 PHE 101 22.668 23.361 11.284 883 HE2 PHE 101 HE2 PHE 101 21.928 24.146 7.136 884 HZ PHE 101 HZ PHE 101 21.080 23.665 9.417 885 H PHE 102 H PHE 102 25.958 21.551 10.982 886 HA PHE 102 HA PHE 102 27.256 19.514 9.233 887 1HB PHE 102 1HB PHE 102 27.168 19.705 12.165 888 2HB PHE 102 2HB PHE 102 26.731 18.114 11.522 889 HD1 PHE 102 HD2 PHE 102 28.216 17.164 9.622 890 HD2 PHE 102 HD1 PHE 102 29.402 20.337 12.272 891 HE1 PHE 102 HE2 PHE 102 30.611 16.807 9.006 892 HE2 PHE 102 HE1 PHE 102 31.768 19.992 11.670 893 HZ PHE 102 HZ PHE 102 32.387 18.218 10.019 894 H LEU 103 H LEU 103 25.728 18.735 7.935 895 HA LEU 103 HA LEU 103 22.934 18.712 8.889 896 1HB LEU 103 1HB LEU 103 23.706 17.566 6.248 897 2HB LEU 103 2HB LEU 103 22.310 18.549 6.678 898 HG LEU 103 HG LEU 103 25.143 19.457 6.164 899 1HD1 LEU 103 1HD1 LEU 103 22.435 19.870 4.969 900 2HD1 LEU 103 2HD1 LEU 103 23.589 21.202 4.886 901 3HD1 LEU 103 3HD1 LEU 103 23.990 19.643 4.170 902 1HD2 LEU 103 1HD2 LEU 103 24.014 20.428 8.343 903 2HD2 LEU 103 2HD2 LEU 103 24.751 21.535 7.190 904 3HD2 LEU 103 3HD2 LEU 103 23.010 21.307 7.208 905 H TRP 104 H TRP 104 24.249 17.196 10.437 906 HA TRP 104 HA TRP 104 25.053 14.621 9.977 907 1HB TRP 104 1HB TRP 104 24.626 15.640 12.276 908 2HB TRP 104 2HB TRP 104 22.917 15.249 12.052 909 HD1 TRP 104 HD1 TRP 104 23.072 13.524 14.151 910 HE1 TRP 104 HE1 TRP 104 23.886 11.097 14.239 911 HE3 TRP 104 HE3 TRP 104 25.862 13.313 9.877 912 HZ2 TRP 104 HZ2 TRP 104 25.588 9.304 12.699 913 HZ3 TRP 104 HZ3 TRP 104 27.000 11.311 9.226 914 HH2 TRP 104 HH2 TRP 104 26.897 9.272 10.620 915 H ALA 105 H ALA 105 24.044 13.807 8.039 916 HA ALA 105 HA ALA 105 21.165 13.140 8.369 917 1HB ALA 105 3HB ALA 105 22.677 13.908 5.867 918 2HB ALA 105 1HB ALA 105 21.027 13.291 5.860 919 3HB ALA 105 2HB ALA 105 21.389 14.830 6.642 920 HA PRO 106 HA PRO 106 23.623 9.268 7.994 921 1HB PRO 106 1HB PRO 106 22.066 7.903 9.826 922 2HB PRO 106 2HB PRO 106 23.522 8.823 10.244 923 1HG PRO 106 1HG PRO 106 20.635 9.596 10.594 924 2HG PRO 106 2HG PRO 106 22.044 10.004 11.595 925 1HD PRO 106 1HD PRO 106 20.909 11.743 9.778 926 2HD PRO 106 2HD PRO 106 22.594 11.848 10.308 927 H GLU 107 H GLU 107 23.011 7.431 6.839 928 HA GLU 107 HA GLU 107 20.838 7.684 5.049 929 1HB GLU 107 1HB GLU 107 22.626 5.397 5.842 930 2HB GLU 107 2HB GLU 107 21.302 5.146 4.705 931 1HG GLU 107 1HG GLU 107 22.793 7.548 4.049 932 2HG GLU 107 2HG GLU 107 23.852 6.138 4.103 933 H LEU 108 H LEU 108 20.580 6.952 8.345 934 HA LEU 108 HA LEU 108 18.130 5.296 7.867 935 1HB LEU 108 1HB LEU 108 19.558 5.282 10.479 936 2HB LEU 108 2HB LEU 108 18.571 4.030 9.725 937 HG LEU 108 HG LEU 108 20.783 4.590 8.006 938 1HD1 LEU 108 3HD1 LEU 108 21.676 5.471 10.216 939 2HD1 LEU 108 1HD1 LEU 108 21.601 3.803 10.801 940 3HD1 LEU 108 2HD1 LEU 108 22.644 4.207 9.434 941 1HD2 LEU 108 1HD2 LEU 108 19.328 2.546 8.335 942 2HD2 LEU 108 2HD2 LEU 108 21.061 2.234 8.183 943 3HD2 LEU 108 3HD2 LEU 108 20.295 2.195 9.775 944 H ALA 109 H ALA 109 19.454 8.144 9.318 945 HA ALA 109 HA ALA 109 18.050 8.879 11.494 946 1HB ALA 109 1HB ALA 109 18.815 10.382 9.095 947 2HB ALA 109 2HB ALA 109 17.471 11.133 9.983 948 3HB ALA 109 3HB ALA 109 19.015 10.793 10.800 949 HA PRO 110 HA PRO 110 13.758 8.694 11.142 950 1HB PRO 110 1HB PRO 110 12.981 11.095 12.264 951 2HB PRO 110 2HB PRO 110 13.554 9.699 13.192 952 1HG PRO 110 1HG PRO 110 15.019 12.217 12.478 953 2HG PRO 110 2HG PRO 110 15.181 11.192 13.917 954 1HD PRO 110 1HD PRO 110 16.963 11.166 11.773 955 2HD PRO 110 2HD PRO 110 16.750 9.819 12.912 956 H LEU 111 H LEU 111 11.971 9.396 9.872 957 HA LEU 111 HA LEU 111 12.573 10.529 7.353 958 1HB LEU 111 1HB LEU 111 10.020 10.063 8.875 959 2HB LEU 111 2HB LEU 111 9.982 10.904 7.327 960 HG LEU 111 HG LEU 111 11.541 8.804 6.650 961 1HD1 LEU 111 2HD1 LEU 111 9.771 7.910 8.934 962 2HD1 LEU 111 3HD1 LEU 111 10.351 6.787 7.704 963 3HD1 LEU 111 1HD1 LEU 111 11.502 7.639 8.732 964 1HD2 LEU 111 2HD2 LEU 111 8.883 9.670 6.228 965 2HD2 LEU 111 3HD2 LEU 111 9.796 8.526 5.243 966 3HD2 LEU 111 1HD2 LEU 111 8.781 7.942 6.563 967 H LYS 112 H LYS 112 11.606 12.058 10.350 968 HA LYS 112 HA LYS 112 10.749 14.558 9.273 969 1HB LYS 112 1HB LYS 112 11.541 15.430 11.564 970 2HB LYS 112 2HB LYS 112 10.249 14.236 11.553 971 1HG LYS 112 1HG LYS 112 11.520 12.962 12.919 972 2HG LYS 112 2HG LYS 112 12.678 12.790 11.600 973 1HD LYS 112 1HD LYS 112 12.652 15.127 13.534 974 2HD LYS 112 2HD LYS 112 13.717 13.728 13.686 975 1HE LYS 112 1HE LYS 112 14.515 14.196 11.341 976 2HE LYS 112 2HE LYS 112 13.612 15.721 11.418 977 1HZ LYS 112 3HZ LYS 112 14.885 16.104 13.574 978 2HZ LYS 112 1HZ LYS 112 15.933 14.877 13.045 979 3HZ LYS 112 2HZ LYS 112 15.739 16.292 12.122 980 H SER 113 H SER 113 13.909 13.256 9.432 981 HA SER 113 HA SER 113 15.050 16.003 9.204 982 1HB SER 113 1HB SER 113 17.214 14.574 9.505 983 2HB SER 113 2HB SER 113 16.241 14.976 10.900 984 HG SER 113 HG SER 113 15.941 12.615 9.366 985 H LYS 114 H LYS 114 14.501 13.080 7.517 986 HA LYS 114 HA LYS 114 16.427 13.811 5.376 987 1HB LYS 114 1HB LYS 114 14.825 11.377 5.049 988 2HB LYS 114 2HB LYS 114 16.576 11.582 4.999 989 1HG LYS 114 1HG LYS 114 16.220 11.975 7.645 990 2HG LYS 114 2HG LYS 114 14.805 10.970 7.331 991 1HD LYS 114 1HD LYS 114 16.776 9.602 7.952 992 2HD LYS 114 2HD LYS 114 16.221 9.239 6.318 993 1HE LYS 114 1HE LYS 114 18.043 11.357 6.008 994 2HE LYS 114 2HE LYS 114 18.788 10.281 7.185 995 1HZ LYS 114 2HZ LYS 114 18.391 8.427 5.671 996 2HZ LYS 114 3HZ LYS 114 17.726 9.489 4.528 997 3HZ LYS 114 1HZ LYS 114 19.368 9.616 4.952 998 H MET 115 H MET 115 13.221 14.197 6.249 999 HA MET 115 HA MET 115 12.351 14.507 3.401 1000 1HB MET 115 1HB MET 115 10.570 14.213 5.818 1001 2HB MET 115 2HB MET 115 10.143 13.992 4.114 1002 1HG MET 115 1HG MET 115 12.312 12.233 5.149 1003 2HG MET 115 2HG MET 115 10.688 11.902 5.748 1004 1HE MET 115 3HE MET 115 8.639 12.344 3.839 1005 2HE MET 115 1HE MET 115 8.604 10.913 2.814 1006 3HE MET 115 2HE MET 115 8.905 10.753 4.550 1007 H ILE 116 H ILE 116 12.268 15.813 6.691 1008 HA ILE 116 HA ILE 116 10.717 18.053 5.839 1009 HB ILE 116 HB ILE 116 11.816 16.852 8.288 1010 1HG1 ILE 116 1HG1 ILE 116 9.756 16.223 8.699 1011 2HG1 ILE 116 2HG1 ILE 116 9.144 17.866 8.515 1012 1HG2 ILE 116 3HG2 ILE 116 11.244 19.683 7.872 1013 2HG2 ILE 116 1HG2 ILE 116 10.665 18.970 9.379 1014 3HG2 ILE 116 2HG2 ILE 116 12.371 18.879 8.957 1015 1HD1 ILE 116 3HD1 ILE 116 9.820 16.168 6.107 1016 2HD1 ILE 116 1HD1 ILE 116 8.242 16.063 6.874 1017 3HD1 ILE 116 2HD1 ILE 116 8.785 17.591 6.181 1018 H TYR 117 H TYR 117 13.610 17.849 7.861 1019 HA TYR 117 HA TYR 117 14.364 20.549 7.137 1020 1HB TYR 117 1HB TYR 117 15.837 20.481 8.863 1021 2HB TYR 117 2HB TYR 117 14.687 19.270 9.384 1022 HD1 TYR 117 HD1 TYR 117 17.542 18.931 6.899 1023 HD2 TYR 117 HD2 TYR 117 15.869 17.831 10.696 1024 HE1 TYR 117 HE1 TYR 117 19.370 17.326 7.227 1025 HE2 TYR 117 HE2 TYR 117 17.712 16.237 11.055 1026 HH TYR 117 HH TYR 117 20.070 15.576 8.459 1027 H ALA 118 H ALA 118 14.738 17.497 5.883 1028 HA ALA 118 HA ALA 118 17.143 17.602 4.441 1029 1HB ALA 118 2HB ALA 118 14.345 16.793 3.619 1030 2HB ALA 118 3HB ALA 118 15.811 16.349 2.729 1031 3HB ALA 118 1HB ALA 118 15.541 15.735 4.363 1032 H SER 119 H SER 119 14.023 19.242 4.171 1033 HA SER 119 HA SER 119 15.181 20.957 1.983 1034 1HB SER 119 1HB SER 119 12.967 19.477 1.712 1035 2HB SER 119 2HB SER 119 12.238 20.874 2.497 1036 HG SER 119 HG SER 119 12.557 20.769 0.045 1037 H SER 120 H SER 120 14.301 20.865 5.225 1038 HA SER 120 HA SER 120 13.435 23.701 5.327 1039 1HB SER 120 1HB SER 120 12.737 21.534 6.856 1040 2HB SER 120 2HB SER 120 13.888 22.365 7.899 1041 HG SER 120 HG SER 120 11.670 23.558 6.583 1042 H LYS 121 H LYS 121 16.397 22.360 5.095 1043 HA LYS 121 HA LYS 121 17.957 23.455 7.147 1044 1HB LYS 121 1HB LYS 121 18.445 21.849 5.160 1045 2HB LYS 121 2HB LYS 121 18.812 23.346 4.299 1046 1HG LYS 121 1HG LYS 121 20.443 23.965 5.793 1047 2HG LYS 121 2HG LYS 121 19.889 22.827 7.034 1048 1HD LYS 121 1HD LYS 121 21.822 21.799 5.991 1049 2HD LYS 121 2HD LYS 121 20.389 20.971 5.366 1050 1HE LYS 121 1HE LYS 121 21.111 23.341 3.805 1051 2HE LYS 121 2HE LYS 121 22.378 22.115 3.811 1052 1HZ LYS 121 3HZ LYS 121 19.631 21.204 3.430 1053 2HZ LYS 121 1HZ LYS 121 20.357 22.034 2.137 1054 3HZ LYS 121 2HZ LYS 121 21.071 20.620 2.749 1055 H ASP 122 H ASP 122 16.264 24.922 4.657 1056 HA ASP 122 HA ASP 122 17.831 27.305 4.215 1057 1HB ASP 122 1HB ASP 122 15.987 26.430 2.675 1058 2HB ASP 122 2HB ASP 122 14.831 26.938 3.917 1059 H ALA 123 H ALA 123 15.274 26.171 6.206 1060 HA ALA 123 HA ALA 123 14.470 28.543 7.541 1061 1HB ALA 123 2HB ALA 123 13.913 25.821 7.557 1062 2HB ALA 123 3HB ALA 123 14.534 26.132 9.184 1063 3HB ALA 123 1HB ALA 123 13.138 27.037 8.587 1064 H ILE 124 H ILE 124 16.742 26.010 8.593 1065 HA ILE 124 HA ILE 124 17.825 27.422 10.828 1066 HB ILE 124 HB ILE 124 18.192 25.051 10.564 1067 1HG1 ILE 124 1HG1 ILE 124 20.900 26.121 10.006 1068 2HG1 ILE 124 2HG1 ILE 124 20.021 26.845 11.350 1069 1HG2 ILE 124 3HG2 ILE 124 18.164 25.109 8.055 1070 2HG2 ILE 124 1HG2 ILE 124 19.803 25.769 8.107 1071 3HG2 ILE 124 2HG2 ILE 124 19.478 24.143 8.720 1072 1HD1 ILE 124 3HD1 ILE 124 20.183 23.865 11.050 1073 2HD1 ILE 124 1HD1 ILE 124 21.503 24.767 11.817 1074 3HD1 ILE 124 2HD1 ILE 124 19.877 24.826 12.525 1075 H LYS 125 H LYS 125 18.531 27.261 7.444 1076 HA LYS 125 HA LYS 125 21.004 28.669 7.432 1077 1HB LYS 125 1HB LYS 125 19.099 27.652 5.521 1078 2HB LYS 125 2HB LYS 125 19.652 29.259 5.041 1079 1HG LYS 125 1HG LYS 125 21.461 28.167 4.209 1080 2HG LYS 125 2HG LYS 125 21.984 28.122 5.890 1081 1HD LYS 125 1HD LYS 125 22.154 25.879 5.063 1082 2HD LYS 125 2HD LYS 125 20.737 25.921 6.112 1083 1HE LYS 125 1HE LYS 125 19.987 24.787 4.179 1084 2HE LYS 125 2HE LYS 125 19.405 26.433 3.960 1085 1HZ LYS 125 1HZ LYS 125 22.035 26.167 2.953 1086 2HZ LYS 125 2HZ LYS 125 21.020 25.000 2.250 1087 3HZ LYS 125 3HZ LYS 125 20.624 26.648 2.143 1088 H LYS 126 H LYS 126 17.710 29.730 7.715 1089 HA LYS 126 HA LYS 126 18.200 32.498 6.969 1090 1HB LYS 126 1HB LYS 126 15.960 31.162 8.517 1091 2HB LYS 126 2HB LYS 126 15.966 32.878 8.101 1092 1HG LYS 126 1HG LYS 126 16.450 30.862 5.935 1093 2HG LYS 126 2HG LYS 126 14.800 31.112 6.507 1094 1HD LYS 126 1HD LYS 126 15.322 33.645 6.188 1095 2HD LYS 126 2HD LYS 126 16.653 33.079 5.177 1096 1HE LYS 126 1HE LYS 126 14.941 33.274 3.606 1097 2HE LYS 126 2HE LYS 126 14.793 31.579 4.070 1098 1HZ LYS 126 2HZ LYS 126 13.333 33.410 5.753 1099 2HZ LYS 126 3HZ LYS 126 12.791 33.368 4.147 1100 3HZ LYS 126 1HZ LYS 126 12.840 31.939 5.063 1101 H LYS 127 H LYS 127 18.736 30.597 9.786 1102 HA LYS 127 HA LYS 127 19.282 33.044 11.408 1103 1HB LYS 127 1HB LYS 127 19.151 30.210 12.462 1104 2HB LYS 127 2HB LYS 127 19.066 31.712 13.377 1105 1HG LYS 127 1HG LYS 127 16.974 30.588 11.505 1106 2HG LYS 127 2HG LYS 127 16.831 30.841 13.243 1107 1HD LYS 127 1HD LYS 127 16.111 32.941 12.899 1108 2HD LYS 127 2HD LYS 127 17.588 33.321 12.015 1109 1HE LYS 127 1HE LYS 127 16.154 33.598 10.260 1110 2HE LYS 127 2HE LYS 127 16.288 31.844 10.157 1111 1HZ LYS 127 3HZ LYS 127 14.379 31.933 11.902 1112 2HZ LYS 127 1HZ LYS 127 14.108 33.478 11.248 1113 3HZ LYS 127 2HZ LYS 127 14.032 32.109 10.248 1114 H PHE 128 H PHE 128 20.592 30.475 9.642 1115 HA PHE 128 HA PHE 128 23.222 30.557 11.020 1116 1HB PHE 128 1HB PHE 128 21.943 28.807 8.961 1117 2HB PHE 128 2HB PHE 128 23.705 28.927 9.008 1118 HD1 PHE 128 HD2 PHE 128 21.973 29.689 12.042 1119 HD2 PHE 128 HD1 PHE 128 23.694 26.461 9.761 1120 HE1 PHE 128 HE2 PHE 128 22.063 28.296 14.077 1121 HE2 PHE 128 HE1 PHE 128 23.789 25.078 11.833 1122 HZ PHE 128 HZ PHE 128 22.968 25.988 13.983 1123 H GLN 129 H GLN 129 22.171 32.848 9.833 1124 HA GLN 129 HA GLN 129 22.646 33.942 7.488 1125 1HB GLN 129 1HB GLN 129 24.403 34.928 9.731 1126 2HB GLN 129 2HB GLN 129 23.621 35.881 8.472 1127 1HG GLN 129 1HG GLN 129 22.134 34.312 10.596 1128 2HG GLN 129 2HG GLN 129 22.487 36.033 10.706 1129 1HE2 GLN 129 2HE2 GLN 129 19.800 34.806 7.835 1130 2HE2 GLN 129 1HE2 GLN 129 21.009 33.728 8.342 1131 H GLY 130 H GLY 130 25.435 33.113 9.517 1132 1HA GLY 130 1HA GLY 130 27.006 32.593 7.025 1133 2HA GLY 130 2HA GLY 130 27.725 33.338 8.462 1134 H ILE 131 H ILE 131 26.266 30.349 7.232 1135 HA ILE 131 HA ILE 131 26.493 28.811 9.547 1136 HB ILE 131 HB ILE 131 25.900 28.366 6.806 1137 1HG1 ILE 131 1HG1 ILE 131 24.396 27.481 8.353 1138 2HG1 ILE 131 2HG1 ILE 131 25.266 26.066 7.756 1139 1HG2 ILE 131 2HG2 ILE 131 28.225 27.511 6.720 1140 2HG2 ILE 131 3HG2 ILE 131 27.764 26.350 7.984 1141 3HG2 ILE 131 1HG2 ILE 131 26.996 26.282 6.402 1142 1HD1 ILE 131 3HD1 ILE 131 26.957 26.595 9.650 1143 2HD1 ILE 131 1HD1 ILE 131 25.596 27.527 10.347 1144 3HD1 ILE 131 2HD1 ILE 131 25.425 25.787 10.064 1145 H LYS 132 H LYS 132 28.855 29.997 7.428 1146 HA LYS 132 HA LYS 132 31.218 29.961 7.722 1147 1HB LYS 132 1HB LYS 132 30.919 27.690 9.688 1148 2HB LYS 132 2HB LYS 132 32.229 28.861 9.554 1149 1HG LYS 132 1HG LYS 132 29.472 29.244 10.668 1150 2HG LYS 132 2HG LYS 132 31.019 29.612 11.416 1151 1HD LYS 132 1HD LYS 132 29.795 31.065 9.062 1152 2HD LYS 132 2HD LYS 132 29.964 31.695 10.698 1153 1HE LYS 132 1HE LYS 132 32.218 32.064 10.466 1154 2HE LYS 132 2HE LYS 132 32.439 30.689 9.385 1155 1HZ LYS 132 3HZ LYS 132 31.101 33.235 8.649 1156 2HZ LYS 132 1HZ LYS 132 32.701 32.824 8.249 1157 3HZ LYS 132 2HZ LYS 132 31.412 31.924 7.613 1158 H HIS 133 H HIS 133 29.512 26.848 8.083 1159 HA HIS 133 HA HIS 133 30.769 26.048 5.502 1160 1HB HIS 133 1HB HIS 133 31.564 24.888 8.119 1161 2HB HIS 133 2HB HIS 133 31.566 23.868 6.691 1162 HD1 HIS 133 HD1 HIS 133 32.490 26.111 4.654 1163 HD2 HIS 133 HD2 HIS 133 34.306 25.274 8.295 1164 HE1 HIS 133 HE1 HIS 133 34.866 27.005 4.511 1165 H GLU 134 H GLU 134 28.537 25.749 4.794 1166 HA GLU 134 HA GLU 134 26.828 23.840 6.118 1167 1HB GLU 134 1HB GLU 134 26.372 25.550 4.094 1168 2HB GLU 134 2HB GLU 134 26.661 24.059 3.200 1169 1HG GLU 134 1HG GLU 134 25.046 23.155 5.191 1170 2HG GLU 134 2HG GLU 134 24.401 24.781 4.948 1171 H CYS 135 H CYS 135 27.691 21.888 6.414 1172 HA CYS 135 HA CYS 135 29.349 20.653 4.285 1173 1HB CYS 135 1HB CYS 135 30.358 20.739 6.503 1174 2HB CYS 135 2HB CYS 135 28.982 19.873 7.194 1175 HG CYS 135 HG CYS 135 31.250 18.416 6.272 1176 H GLN 136 H GLN 136 27.647 18.754 6.663 1177 HA GLN 136 HA GLN 136 25.545 17.556 6.305 1178 1HB GLN 136 1HB GLN 136 25.364 18.436 3.919 1179 2HB GLN 136 2HB GLN 136 26.465 17.136 3.453 1180 1HG GLN 136 1HG GLN 136 24.870 15.554 3.671 1181 2HG GLN 136 2HG GLN 136 24.298 16.234 5.186 1182 1HE2 GLN 136 2HE2 GLN 136 21.504 17.734 3.702 1183 2HE2 GLN 136 1HE2 GLN 136 22.284 17.262 5.121 1184 H ALA 137 H ALA 137 25.403 15.146 6.085 1185 HA ALA 137 HA ALA 137 28.085 13.846 6.105 1186 1HB ALA 137 2HB ALA 137 25.909 13.589 8.148 1187 2HB ALA 137 3HB ALA 137 27.377 12.617 8.113 1188 3HB ALA 137 1HB ALA 137 27.480 14.353 8.390 1189 H ASN 138 H ASN 138 25.579 11.992 7.253 1190 HA ASN 138 HA ASN 138 24.129 10.391 6.283 1191 1HB ASN 138 1HB ASN 138 25.570 10.900 3.665 1192 2HB ASN 138 2HB ASN 138 24.177 9.838 3.912 1193 1HD2 ASN 138 2HD2 ASN 138 23.537 13.911 3.762 1194 2HD2 ASN 138 1HD2 ASN 138 25.117 13.313 3.784 1195 H GLY 139 H GLY 139 26.599 10.527 7.515 1196 1HA GLY 139 1HA GLY 139 27.230 7.927 8.069 1197 2HA GLY 139 2HA GLY 139 28.373 8.414 6.789 1198 HA PRO 140 HA PRO 140 29.063 10.857 10.778 1199 1HB PRO 140 1HB PRO 140 30.590 9.115 12.327 1200 2HB PRO 140 2HB PRO 140 28.847 9.357 12.542 1201 1HG PRO 140 1HG PRO 140 30.282 7.077 11.240 1202 2HG PRO 140 2HG PRO 140 28.736 7.080 12.107 1203 1HD PRO 140 1HD PRO 140 28.983 7.035 9.314 1204 2HD PRO 140 2HD PRO 140 27.527 7.563 10.185 1205 H GLU 141 H GLU 141 30.493 8.983 8.411 1206 HA GLU 141 HA GLU 141 33.246 9.988 8.736 1207 1HB GLU 141 1HB GLU 141 33.684 7.945 7.876 1208 2HB GLU 141 2HB GLU 141 31.962 7.667 7.560 1209 1HG GLU 141 1HG GLU 141 32.110 8.983 5.505 1210 2HG GLU 141 2HG GLU 141 33.821 9.288 5.810 1211 H ASP 142 H ASP 142 30.245 10.805 7.152 1212 HA ASP 142 HA ASP 142 31.508 11.968 4.801 1213 1HB ASP 142 1HB ASP 142 28.781 12.125 6.084 1214 2HB ASP 142 2HB ASP 142 29.213 13.216 4.764 1215 H LEU 143 H LEU 143 31.302 12.669 8.091 1216 HA LEU 143 HA LEU 143 31.768 15.565 7.810 1217 1HB LEU 143 1HB LEU 143 31.636 13.857 10.302 1218 2HB LEU 143 2HB LEU 143 31.592 15.617 10.232 1219 HG LEU 143 HG LEU 143 29.482 15.347 8.798 1220 1HD1 LEU 143 3HD1 LEU 143 30.110 12.545 9.561 1221 2HD1 LEU 143 1HD1 LEU 143 28.411 13.019 9.628 1222 3HD1 LEU 143 2HD1 LEU 143 29.313 13.171 8.119 1223 1HD2 LEU 143 1HD2 LEU 143 29.640 15.909 11.311 1224 2HD2 LEU 143 2HD2 LEU 143 28.093 15.292 10.728 1225 3HD2 LEU 143 3HD2 LEU 143 29.202 14.224 11.590 1226 H ASN 144 H ASN 144 33.452 12.898 7.348 1227 HA ASN 144 HA ASN 144 35.586 12.496 8.846 1228 1HB ASN 144 1HB ASN 144 35.255 11.461 6.661 1229 2HB ASN 144 2HB ASN 144 35.683 12.981 5.891 1230 1HD2 ASN 144 2HD2 ASN 144 38.711 11.481 8.127 1231 2HD2 ASN 144 1HD2 ASN 144 37.155 11.660 8.791 1232 H ARG 145 H ARG 145 37.498 13.471 9.250 1233 HA ARG 145 HA ARG 145 37.492 16.360 9.066 1234 1HB ARG 145 1HB ARG 145 39.996 15.922 9.905 1235 2HB ARG 145 2HB ARG 145 38.611 15.882 10.989 1236 1HG ARG 145 1HG ARG 145 38.890 13.693 11.408 1237 2HG ARG 145 2HG ARG 145 39.036 13.302 9.683 1238 1HD ARG 145 1HD ARG 145 41.347 13.599 9.691 1239 2HD ARG 145 2HD ARG 145 41.311 14.651 11.107 1240 HE ARG 145 HE ARG 145 40.770 12.576 12.445 1241 1HH1 ARG 145 1HH2 ARG 145 40.286 10.298 11.162 1242 2HH1 ARG 145 2HH2 ARG 145 41.787 9.636 10.603 1243 1HH2 ARG 145 1HH1 ARG 145 43.527 12.617 10.929 1244 2HH2 ARG 145 2HH1 ARG 145 43.619 10.950 10.465 1245 H ALA 146 H ALA 146 38.809 13.744 7.258 1246 HA ALA 146 HA ALA 146 40.826 15.222 5.784 1247 1HB ALA 146 1HB ALA 146 40.302 12.596 6.035 1248 2HB ALA 146 2HB ALA 146 39.361 12.917 4.571 1249 3HB ALA 146 3HB ALA 146 41.103 13.246 4.600 1250 H CYS 147 H CYS 147 37.453 14.491 5.580 1251 HA CYS 147 HA CYS 147 37.015 15.676 2.925 1252 1HB CYS 147 1HB CYS 147 35.730 13.834 4.286 1253 2HB CYS 147 2HB CYS 147 34.901 15.255 4.958 1254 HG CYS 147 HG CYS 147 33.509 15.053 2.885 1255 H ILE 148 H ILE 148 36.689 16.529 6.267 1256 HA ILE 148 HA ILE 148 35.398 19.038 5.779 1257 HB ILE 148 HB ILE 148 36.922 17.806 8.078 1258 1HG1 ILE 148 1HG1 ILE 148 35.000 16.771 8.569 1259 2HG1 ILE 148 2HG1 ILE 148 34.211 18.323 8.754 1260 1HG2 ILE 148 2HG2 ILE 148 35.556 20.438 7.742 1261 2HG2 ILE 148 3HG2 ILE 148 35.823 19.728 9.337 1262 3HG2 ILE 148 1HG2 ILE 148 37.194 20.091 8.284 1263 1HD1 ILE 148 2HD1 ILE 148 34.504 16.869 6.110 1264 2HD1 ILE 148 3HD1 ILE 148 33.089 16.720 7.160 1265 3HD1 ILE 148 1HD1 ILE 148 33.505 18.294 6.440 1266 H ALA 149 H ALA 149 38.395 17.495 5.683 1267 HA ALA 149 HA ALA 149 40.129 19.893 5.591 1268 1HB ALA 149 1HB ALA 149 40.576 16.935 5.197 1269 2HB ALA 149 2HB ALA 149 41.856 18.137 5.084 1270 3HB ALA 149 3HB ALA 149 41.024 17.872 6.616 1271 H GLU 150 H GLU 150 37.896 19.103 3.806 1272 HA GLU 150 HA GLU 150 39.172 19.496 1.186 1273 1HB GLU 150 1HB GLU 150 38.471 17.423 0.679 1274 2HB GLU 150 2HB GLU 150 37.498 17.299 2.150 1275 1HG GLU 150 1HG GLU 150 35.652 18.388 1.147 1276 2HG GLU 150 2HG GLU 150 36.626 18.988 -0.195 1277 H LYS 151 H LYS 151 36.542 19.866 3.441 1278 HA LYS 151 HA LYS 151 34.924 21.622 1.798 1279 1HB LYS 151 1HB LYS 151 33.539 20.689 3.376 1280 2HB LYS 151 2HB LYS 151 34.887 20.277 4.431 1281 1HG LYS 151 1HG LYS 151 34.874 22.358 5.478 1282 2HG LYS 151 2HG LYS 151 33.985 23.134 4.163 1283 1HD LYS 151 1HD LYS 151 32.580 20.848 5.394 1284 2HD LYS 151 2HD LYS 151 32.832 22.217 6.478 1285 1HE LYS 151 1HE LYS 151 30.693 22.442 5.256 1286 2HE LYS 151 2HE LYS 151 31.810 23.742 4.844 1287 1HZ LYS 151 1HZ LYS 151 32.485 22.121 2.953 1288 2HZ LYS 151 2HZ LYS 151 30.952 21.442 3.232 1289 3HZ LYS 151 3HZ LYS 151 31.099 23.077 2.790 1290 H LEU 152 H LEU 152 37.575 21.585 3.980 1291 HA LEU 152 HA LEU 152 37.923 24.539 3.757 1292 1HB LEU 152 1HB LEU 152 39.404 23.176 5.919 1293 2HB LEU 152 2HB LEU 152 38.549 24.710 5.946 1294 HG LEU 152 HG LEU 152 36.810 22.313 5.803 1295 1HD1 LEU 152 1HD1 LEU 152 38.490 23.001 8.230 1296 2HD1 LEU 152 2HD1 LEU 152 37.080 21.941 8.269 1297 3HD1 LEU 152 3HD1 LEU 152 38.512 21.476 7.346 1298 1HD2 LEU 152 3HD2 LEU 152 36.727 25.052 6.544 1299 2HD2 LEU 152 1HD2 LEU 152 35.391 23.901 6.487 1300 3HD2 LEU 152 2HD2 LEU 152 36.324 24.095 7.973 1301 H GLY 153 H GLY 153 39.317 21.259 3.805 1302 1HA GLY 153 1HA GLY 153 41.968 22.234 2.977 1303 2HA GLY 153 2HA GLY 153 41.558 20.590 3.407 1304 H GLY 154 H GLY 154 39.325 22.032 1.435 1305 1HA GLY 154 1HA GLY 154 40.388 20.565 -0.941 1306 2HA GLY 154 2HA GLY 154 38.686 20.973 -0.706 1307 H SER 155 H SER 155 40.986 23.353 0.215 1308 HA SER 155 HA SER 155 40.905 24.735 -2.384 1309 1HB SER 155 1HB SER 155 38.788 25.247 -0.898 1310 2HB SER 155 2HB SER 155 39.910 26.275 -0.012 1311 HG SER 155 HG SER 155 40.360 27.355 -1.938 1312 H LEU 156 H LEU 156 41.455 25.890 0.992 1313 HA LEU 156 HA LEU 156 44.332 26.032 0.437 1314 1HB LEU 156 1HB LEU 156 43.489 28.670 1.211 1315 2HB LEU 156 2HB LEU 156 44.481 28.178 -0.158 1316 HG LEU 156 HG LEU 156 41.538 27.696 -0.312 1317 1HD1 LEU 156 3HD1 LEU 156 42.708 30.288 0.159 1318 2HD1 LEU 156 1HD1 LEU 156 42.004 30.227 -1.457 1319 3HD1 LEU 156 2HD1 LEU 156 41.010 29.859 -0.047 1320 1HD2 LEU 156 3HD2 LEU 156 43.827 27.663 -2.039 1321 2HD2 LEU 156 1HD2 LEU 156 42.165 27.193 -2.412 1322 3HD2 LEU 156 2HD2 LEU 156 42.684 28.867 -2.636 1323 H ILE 157 H ILE 157 43.879 24.623 2.590 1324 HA ILE 157 HA ILE 157 43.939 26.645 4.755 1325 HB ILE 157 HB ILE 157 43.354 24.769 6.292 1326 1HG1 ILE 157 1HG1 ILE 157 42.597 23.434 3.696 1327 2HG1 ILE 157 2HG1 ILE 157 43.978 22.942 4.700 1328 1HG2 ILE 157 1HG2 ILE 157 41.672 26.140 4.320 1329 2HG2 ILE 157 2HG2 ILE 157 40.945 24.672 4.973 1330 3HG2 ILE 157 3HG2 ILE 157 41.452 25.961 6.060 1331 1HD1 ILE 157 3HD1 ILE 157 41.891 23.260 6.475 1332 2HD1 ILE 157 1HD1 ILE 157 41.158 22.456 5.078 1333 3HD1 ILE 157 2HD1 ILE 157 42.543 21.721 5.892 1334 H VAL 158 H VAL 158 44.959 24.043 6.272 1335 HA VAL 158 HA VAL 158 47.643 23.693 5.307 1336 HB VAL 158 HB VAL 158 47.065 25.769 7.386 1337 1HG1 VAL 158 2HG1 VAL 158 49.462 23.916 7.368 1338 2HG1 VAL 158 3HG1 VAL 158 49.442 25.466 8.210 1339 3HG1 VAL 158 1HG1 VAL 158 48.330 24.184 8.692 1340 1HG2 VAL 158 3HG2 VAL 158 48.911 25.391 5.039 1341 2HG2 VAL 158 1HG2 VAL 158 47.784 26.711 5.361 1342 3HG2 VAL 158 2HG2 VAL 158 49.290 26.595 6.272 1343 H ALA 159 H ALA 159 45.203 23.390 7.741 1344 HA ALA 159 HA ALA 159 46.384 20.844 8.692 1345 1HB ALA 159 2HB ALA 159 46.553 22.764 10.382 1346 2HB ALA 159 3HB ALA 159 44.790 22.728 10.429 1347 3HB ALA 159 1HB ALA 159 45.713 21.313 10.929 1348 H PHE 160 H PHE 160 44.891 19.270 9.077 1349 HA PHE 160 HA PHE 160 42.752 18.202 9.013 1350 1HB PHE 160 1HB PHE 160 41.899 20.940 8.631 1351 2HB PHE 160 2HB PHE 160 41.200 19.937 7.358 1352 HD1 PHE 160 HD1 PHE 160 42.145 19.310 10.882 1353 HD2 PHE 160 HD2 PHE 160 39.014 19.339 7.966 1354 HE1 PHE 160 HE1 PHE 160 40.577 18.387 12.570 1355 HE2 PHE 160 HE2 PHE 160 37.431 18.404 9.655 1356 HZ PHE 160 HZ PHE 160 38.218 17.932 11.953 1357 H GLU 161 H GLU 161 43.796 20.371 6.532 1358 HA GLU 161 HA GLU 161 43.749 18.284 4.445 1359 1HB GLU 161 1HB GLU 161 43.044 20.911 4.312 1360 2HB GLU 161 2HB GLU 161 44.756 21.041 3.940 1361 1HG GLU 161 1HG GLU 161 42.663 19.458 2.454 1362 2HG GLU 161 2HG GLU 161 43.670 20.765 1.845 1363 H GLY 162 H GLY 162 45.747 19.969 6.760 1364 1HA GLY 162 1HA GLY 162 48.156 18.872 5.357 1365 2HA GLY 162 2HA GLY 162 48.168 20.446 6.126 1366 H CYS 163 H CYS 163 48.072 20.493 8.528 1367 HA CYS 163 HA CYS 163 49.868 18.778 9.735 1368 1HB CYS 163 1HB CYS 163 47.892 20.702 10.775 1369 2HB CYS 163 2HB CYS 163 48.573 19.555 11.928 1370 HG CYS 163 HG CYS 163 50.748 20.856 10.245 1371 HA PRO 164 HA PRO 164 46.768 15.985 11.899 1372 1HB PRO 164 1HB PRO 164 44.088 16.571 11.625 1373 2HB PRO 164 2HB PRO 164 45.097 17.128 12.973 1374 1HG PRO 164 1HG PRO 164 44.151 18.632 10.566 1375 2HG PRO 164 2HG PRO 164 44.456 19.229 12.205 1376 1HD PRO 164 1HD PRO 164 46.248 19.622 10.104 1377 2HD PRO 164 2HD PRO 164 46.708 19.572 11.812 1378 H VAL 165 H VAL 165 45.517 17.340 8.847 1379 HA VAL 165 HA VAL 165 45.750 14.639 7.681 1380 HB VAL 165 HB VAL 165 43.220 15.289 6.724 1381 1HG1 VAL 165 3HG1 VAL 165 44.371 13.103 7.535 1382 2HG1 VAL 165 1HG1 VAL 165 43.631 13.482 9.090 1383 3HG1 VAL 165 2HG1 VAL 165 42.617 13.238 7.668 1384 1HG2 VAL 165 3HG2 VAL 165 43.511 16.525 9.339 1385 2HG2 VAL 165 1HG2 VAL 165 42.123 16.524 8.264 1386 3HG2 VAL 165 2HG2 VAL 165 42.347 15.210 9.413 No H/Q in entry = 1386 Start of MODEL 18 1 1H THR -8 2H THR -8 1.909 26.570 -8.285 2 2H THR -8 3H THR -8 2.848 25.188 -8.574 3 3H THR -8 1H THR -8 1.171 25.145 -8.845 4 HA THR -8 HA THR -8 0.976 24.301 -6.813 5 HB THR -8 HB THR -8 3.799 25.324 -6.401 6 HG1 THR -8 HG1 THR -8 3.590 22.713 -6.268 7 1HG2 THR -8 1HG2 THR -8 1.816 24.329 -4.509 8 2HG2 THR -8 2HG2 THR -8 3.268 23.325 -4.532 9 3HG2 THR -8 3HG2 THR -8 3.395 25.052 -4.200 10 H MET -7 H MET -7 -0.601 26.172 -6.785 11 HA MET -7 HA MET -7 0.130 28.626 -5.439 12 1HB MET -7 1HB MET -7 -2.269 27.448 -6.608 13 2HB MET -7 2HB MET -7 -2.621 28.306 -5.109 14 1HG MET -7 1HG MET -7 -0.837 29.992 -6.422 15 2HG MET -7 2HG MET -7 -1.862 29.377 -7.719 16 1HE MET -7 3HE MET -7 -4.032 29.979 -8.241 17 2HE MET -7 1HE MET -7 -4.775 31.472 -7.651 18 3HE MET -7 2HE MET -7 -3.164 31.508 -8.361 19 H ILE -6 H ILE -6 -1.907 25.866 -4.361 20 HA ILE -6 HA ILE -6 -1.756 26.752 -1.589 21 HB ILE -6 HB ILE -6 -2.675 24.110 -2.777 22 1HG1 ILE -6 1HG1 ILE -6 -3.919 26.310 -3.329 23 2HG1 ILE -6 2HG1 ILE -6 -4.877 24.990 -2.658 24 1HG2 ILE -6 3HG2 ILE -6 -2.727 25.251 0.020 25 2HG2 ILE -6 1HG2 ILE -6 -3.878 24.017 -0.493 26 3HG2 ILE -6 2HG2 ILE -6 -2.150 23.670 -0.506 27 1HD1 ILE -6 3HD1 ILE -6 -3.662 27.207 -0.984 28 2HD1 ILE -6 1HD1 ILE -6 -5.325 27.219 -1.574 29 3HD1 ILE -6 2HD1 ILE -6 -4.798 25.971 -0.444 30 H THR -5 H THR -5 -0.716 25.437 0.124 31 HA THR -5 HA THR -5 1.600 23.838 -0.882 32 HB THR -5 HB THR -5 2.577 24.968 1.412 33 HG1 THR -5 HG1 THR -5 1.056 26.941 0.061 34 1HG2 THR -5 3HG2 THR -5 3.524 24.803 -0.979 35 2HG2 THR -5 1HG2 THR -5 2.766 26.370 -1.254 36 3HG2 THR -5 2HG2 THR -5 4.013 26.198 -0.018 37 HA PRO -4 HA PRO -4 -0.503 21.250 2.161 38 1HB PRO -4 1HB PRO -4 0.457 18.893 1.123 39 2HB PRO -4 2HB PRO -4 -0.965 19.737 0.486 40 1HG PRO -4 1HG PRO -4 1.783 19.557 -0.660 41 2HG PRO -4 2HG PRO -4 0.236 19.811 -1.486 42 1HD PRO -4 1HD PRO -4 2.147 21.814 -0.889 43 2HD PRO -4 2HD PRO -4 0.474 22.088 -1.416 44 H SER -3 H SER -3 1.325 22.395 3.516 45 HA SER -3 HA SER -3 2.982 20.263 4.670 46 1HB SER -3 1HB SER -3 5.074 21.636 4.514 47 2HB SER -3 2HB SER -3 4.496 21.072 2.948 48 HG SER -3 HG SER -3 3.547 23.109 2.642 49 H SER -2 H SER -2 1.990 20.559 6.650 50 HA SER -2 HA SER -2 1.473 23.212 7.723 51 1HB SER -2 1HB SER -2 1.303 20.443 8.928 52 2HB SER -2 2HB SER -2 0.860 21.908 9.801 53 HG SER -2 HG SER -2 -0.259 21.916 7.364 54 H GLY -1 H GLY -1 3.165 20.667 9.541 55 1HA GLY -1 1HA GLY -1 5.317 22.678 10.067 56 2HA GLY -1 2HA GLY -1 4.657 21.660 11.344 57 H ASN 0 H ASN 0 6.786 20.831 11.732 58 HA ASN 0 HA ASN 0 8.617 19.715 9.998 59 1HB ASN 0 1HB ASN 0 9.516 19.230 11.993 60 2HB ASN 0 2HB ASN 0 7.946 19.388 12.786 61 1HD2 ASN 0 2HD2 ASN 0 7.250 15.885 12.700 62 2HD2 ASN 0 1HD2 ASN 0 6.555 17.426 12.854 63 H SER 1 H SER 1 5.422 18.462 10.666 64 HA SER 1 HA SER 1 5.521 15.773 10.181 65 1HB SER 1 1HB SER 1 3.425 16.120 8.714 66 2HB SER 1 2HB SER 1 3.364 16.718 10.369 67 HG SER 1 HG SER 1 2.672 18.197 8.634 68 H ALA 2 H ALA 2 5.885 18.271 7.656 69 HA ALA 2 HA ALA 2 7.154 16.171 5.950 70 1HB ALA 2 3HB ALA 2 4.863 16.593 5.109 71 2HB ALA 2 1HB ALA 2 5.231 18.314 4.988 72 3HB ALA 2 2HB ALA 2 6.080 17.156 3.963 73 H SER 3 H SER 3 8.800 17.643 7.407 74 HA SER 3 HA SER 3 10.665 19.051 7.202 75 1HB SER 3 1HB SER 3 11.510 19.420 5.098 76 2HB SER 3 2HB SER 3 10.308 18.207 4.665 77 HG SER 3 HG SER 3 9.467 19.715 3.476 78 H GLY 4 H GLY 4 8.191 19.954 8.227 79 1HA GLY 4 1HA GLY 4 8.010 22.742 7.232 80 2HA GLY 4 2HA GLY 4 6.834 21.963 8.285 81 H VAL 5 H VAL 5 10.046 21.273 9.190 82 HA VAL 5 HA VAL 5 9.987 22.171 11.757 83 HB VAL 5 HB VAL 5 12.060 21.323 11.604 84 1HG1 VAL 5 2HG1 VAL 5 12.029 22.200 8.712 85 2HG1 VAL 5 3HG1 VAL 5 13.343 21.285 9.451 86 3HG1 VAL 5 1HG1 VAL 5 11.737 20.579 9.341 87 1HG2 VAL 5 3HG2 VAL 5 12.637 24.100 10.568 88 2HG2 VAL 5 1HG2 VAL 5 12.800 23.485 12.216 89 3HG2 VAL 5 2HG2 VAL 5 13.899 22.937 10.955 90 H GLN 6 H GLN 6 10.886 24.077 12.831 91 HA GLN 6 HA GLN 6 10.384 26.559 11.254 92 1HB GLN 6 1HB GLN 6 9.713 27.244 13.835 93 2HB GLN 6 2HB GLN 6 8.571 26.856 12.549 94 1HG GLN 6 1HG GLN 6 9.742 24.531 13.898 95 2HG GLN 6 2HG GLN 6 8.744 25.539 14.930 96 1HE2 GLN 6 2HE2 GLN 6 6.969 23.197 12.172 97 2HE2 GLN 6 1HE2 GLN 6 8.636 23.138 12.466 98 H VAL 7 H VAL 7 12.881 25.077 12.549 99 HA VAL 7 HA VAL 7 14.828 25.669 13.641 100 HB VAL 7 HB VAL 7 15.740 27.058 12.167 101 1HG1 VAL 7 1HG1 VAL 7 13.466 26.925 10.995 102 2HG1 VAL 7 2HG1 VAL 7 13.159 28.522 11.679 103 3HG1 VAL 7 3HG1 VAL 7 14.512 28.281 10.570 104 1HG2 VAL 7 1HG2 VAL 7 15.731 28.519 14.191 105 2HG2 VAL 7 2HG2 VAL 7 15.740 29.433 12.685 106 3HG2 VAL 7 3HG2 VAL 7 14.245 29.264 13.604 107 H ALA 8 H ALA 8 15.740 26.823 15.338 108 HA ALA 8 HA ALA 8 13.661 27.942 17.161 109 1HB ALA 8 2HB ALA 8 15.025 25.564 17.282 110 2HB ALA 8 3HB ALA 8 16.015 26.611 18.306 111 3HB ALA 8 1HB ALA 8 14.302 26.379 18.683 112 H ASP 9 H ASP 9 14.749 29.259 18.977 113 HA ASP 9 HA ASP 9 16.331 31.326 17.849 114 1HB ASP 9 1HB ASP 9 17.083 31.590 20.372 115 2HB ASP 9 2HB ASP 9 15.449 32.018 19.874 116 H GLU 10 H GLU 10 17.145 28.121 18.808 117 HA GLU 10 HA GLU 10 19.877 28.555 19.498 118 1HB GLU 10 1HB GLU 10 18.628 26.094 18.269 119 2HB GLU 10 2HB GLU 10 20.233 26.189 19.009 120 1HG GLU 10 1HG GLU 10 18.227 27.380 20.670 121 2HG GLU 10 2HG GLU 10 17.870 25.680 20.326 122 H VAL 11 H VAL 11 18.379 27.997 16.232 123 HA VAL 11 HA VAL 11 21.001 27.867 15.025 124 HB VAL 11 HB VAL 11 19.925 28.804 12.966 125 1HG1 VAL 11 1HG1 VAL 11 19.040 26.456 14.485 126 2HG1 VAL 11 2HG1 VAL 11 18.040 26.879 13.097 127 3HG1 VAL 11 3HG1 VAL 11 19.760 26.541 12.886 128 1HG2 VAL 11 3HG2 VAL 11 18.299 30.246 14.236 129 2HG2 VAL 11 1HG2 VAL 11 17.545 29.272 12.973 130 3HG2 VAL 11 2HG2 VAL 11 17.422 28.781 14.660 131 H CYS 12 H CYS 12 19.069 30.326 16.489 132 HA CYS 12 HA CYS 12 20.712 32.515 15.445 133 1HB CYS 12 1HB CYS 12 18.647 32.580 17.667 134 2HB CYS 12 2HB CYS 12 19.318 33.967 16.812 135 HG CYS 12 HG CYS 12 17.671 31.821 15.246 136 H ARG 13 H ARG 13 20.741 30.346 18.282 137 HA ARG 13 HA ARG 13 22.956 32.107 19.269 138 1HB ARG 13 1HB ARG 13 21.259 30.207 20.899 139 2HB ARG 13 2HB ARG 13 22.728 31.017 21.485 140 1HG ARG 13 1HG ARG 13 21.014 32.982 20.274 141 2HG ARG 13 2HG ARG 13 20.057 32.045 21.421 142 1HD ARG 13 1HD ARG 13 22.786 32.950 22.252 143 2HD ARG 13 2HD ARG 13 21.474 34.130 22.241 144 HE ARG 13 HE ARG 13 20.260 32.621 23.821 145 1HH1 ARG 13 1HH1 ARG 13 21.591 30.082 23.687 146 2HH1 ARG 13 2HH1 ARG 13 22.751 30.130 24.973 147 1HH2 ARG 13 1HH2 ARG 13 22.640 33.584 25.295 148 2HH2 ARG 13 2HH2 ARG 13 23.345 32.116 25.885 149 H ILE 14 H ILE 14 22.476 29.537 17.485 150 HA ILE 14 HA ILE 14 24.520 27.777 18.702 151 HB ILE 14 HB ILE 14 22.853 27.535 16.171 152 1HG1 ILE 14 1HG1 ILE 14 22.758 25.593 18.464 153 2HG1 ILE 14 2HG1 ILE 14 21.815 27.081 18.558 154 1HG2 ILE 14 2HG2 ILE 14 25.359 26.432 16.819 155 2HG2 ILE 14 3HG2 ILE 14 24.193 25.133 17.119 156 3HG2 ILE 14 1HG2 ILE 14 24.279 25.891 15.526 157 1HD1 ILE 14 1HD1 ILE 14 20.827 26.541 16.320 158 2HD1 ILE 14 2HD1 ILE 14 21.691 25.012 16.333 159 3HD1 ILE 14 3HD1 ILE 14 20.431 25.321 17.533 160 H PHE 15 H PHE 15 23.654 29.547 15.789 161 HA PHE 15 HA PHE 15 26.281 29.496 14.599 162 1HB PHE 15 1HB PHE 15 24.912 30.208 12.918 163 2HB PHE 15 2HB PHE 15 23.668 30.739 14.061 164 HD1 PHE 15 HD2 PHE 15 26.803 31.695 12.335 165 HD2 PHE 15 HD1 PHE 15 23.626 32.953 14.939 166 HE1 PHE 15 HE2 PHE 15 27.523 34.063 12.084 167 HE2 PHE 15 HE1 PHE 15 24.352 35.297 14.711 168 HZ PHE 15 HZ PHE 15 26.298 35.867 13.272 169 H TYR 16 H TYR 16 24.500 31.629 16.800 170 HA TYR 16 HA TYR 16 26.692 33.562 16.935 171 1HB TYR 16 1HB TYR 16 24.979 34.829 17.700 172 2HB TYR 16 2HB TYR 16 23.957 33.408 17.882 173 HD1 TYR 16 HD2 TYR 16 24.588 31.826 19.876 174 HD2 TYR 16 HD1 TYR 16 25.667 35.950 19.635 175 HE1 TYR 16 HE2 TYR 16 24.895 31.849 22.294 176 HE2 TYR 16 HE1 TYR 16 25.988 36.000 22.100 177 HH TYR 16 HH TYR 16 26.265 33.262 23.968 178 H ASP 17 H ASP 17 25.701 30.568 18.447 179 HA ASP 17 HA ASP 17 27.032 30.893 20.953 180 1HB ASP 17 1HB ASP 17 25.942 28.690 19.392 181 2HB ASP 17 2HB ASP 17 27.466 28.225 20.137 182 H MET 18 H MET 18 27.993 30.630 17.728 183 HA MET 18 HA MET 18 30.676 29.591 17.987 184 1HB MET 18 1HB MET 18 29.299 30.923 15.685 185 2HB MET 18 2HB MET 18 30.695 29.837 15.635 186 1HG MET 18 1HG MET 18 28.219 28.936 17.037 187 2HG MET 18 2HG MET 18 28.267 28.847 15.288 188 1HE MET 18 1HE MET 18 28.283 26.867 18.021 189 2HE MET 18 2HE MET 18 27.774 26.262 16.434 190 3HE MET 18 3HE MET 18 29.020 25.420 17.349 191 H LYS 19 H LYS 19 30.690 32.103 15.752 192 HA LYS 19 HA LYS 19 32.856 33.488 16.875 193 1HB LYS 19 1HB LYS 19 30.763 34.601 15.036 194 2HB LYS 19 2HB LYS 19 32.358 35.303 15.313 195 1HG LYS 19 1HG LYS 19 32.865 34.067 13.431 196 2HG LYS 19 2HG LYS 19 33.112 32.805 14.641 197 1HD LYS 19 1HD LYS 19 31.528 31.596 13.606 198 2HD LYS 19 2HD LYS 19 30.356 32.805 14.125 199 1HE LYS 19 1HE LYS 19 31.983 33.003 11.573 200 2HE LYS 19 2HE LYS 19 30.320 32.418 11.646 201 1HZ LYS 19 1HZ LYS 19 30.609 34.890 13.021 202 2HZ LYS 19 2HZ LYS 19 31.134 35.030 11.415 203 3HZ LYS 19 3HZ LYS 19 29.562 34.480 11.748 204 H VAL 20 H VAL 20 29.578 34.772 16.642 205 HA VAL 20 HA VAL 20 28.512 36.465 17.800 206 HB VAL 20 HB VAL 20 27.817 34.888 19.261 207 1HG1 VAL 20 3HG1 VAL 20 29.785 33.447 18.752 208 2HG1 VAL 20 1HG1 VAL 20 30.688 34.273 20.019 209 3HG1 VAL 20 2HG1 VAL 20 29.262 33.329 20.433 210 1HG2 VAL 20 3HG2 VAL 20 28.739 37.113 20.507 211 2HG2 VAL 20 1HG2 VAL 20 27.914 35.806 21.352 212 3HG2 VAL 20 2HG2 VAL 20 29.673 35.880 21.353 213 H ARG 21 H ARG 21 31.042 35.991 20.100 214 HA ARG 21 HA ARG 21 32.091 38.721 19.547 215 1HB ARG 21 1HB ARG 21 31.246 37.631 22.245 216 2HB ARG 21 2HB ARG 21 32.225 39.086 22.041 217 1HG ARG 21 1HG ARG 21 30.199 39.576 20.278 218 2HG ARG 21 2HG ARG 21 29.343 38.672 21.529 219 1HD ARG 21 1HD ARG 21 30.656 40.276 23.159 220 2HD ARG 21 2HD ARG 21 30.766 41.305 21.732 221 HE ARG 21 HE ARG 21 28.418 40.962 23.322 222 1HH1 ARG 21 1HH1 ARG 21 26.889 39.727 21.452 223 2HH1 ARG 21 2HH1 ARG 21 26.526 40.884 20.214 224 1HH2 ARG 21 1HH2 ARG 21 29.076 43.053 21.123 225 2HH2 ARG 21 2HH2 ARG 21 27.765 42.766 20.028 226 H LYS 22 H LYS 22 33.387 36.504 18.651 227 HA LYS 22 HA LYS 22 35.333 35.189 18.878 228 1HB LYS 22 1HB LYS 22 36.290 37.762 20.162 229 2HB LYS 22 2HB LYS 22 37.269 36.583 19.287 230 1HG LYS 22 1HG LYS 22 35.116 38.395 18.171 231 2HG LYS 22 2HG LYS 22 36.825 38.354 17.734 232 1HD LYS 22 1HD LYS 22 36.041 35.752 17.254 233 2HD LYS 22 2HD LYS 22 34.608 36.665 16.772 234 1HE LYS 22 1HE LYS 22 36.003 36.535 14.828 235 2HE LYS 22 2HE LYS 22 36.183 38.177 15.448 236 1HZ LYS 22 1HZ LYS 22 38.187 37.446 16.620 237 2HZ LYS 22 2HZ LYS 22 38.029 35.903 15.926 238 3HZ LYS 22 3HZ LYS 22 38.330 37.255 14.940 239 H CYS 23 H CYS 23 37.212 36.152 21.275 240 HA CYS 23 HA CYS 23 35.749 34.663 23.413 241 1HB CYS 23 1HB CYS 23 38.642 34.154 23.249 242 2HB CYS 23 2HB CYS 23 37.318 33.051 23.647 243 HG CYS 23 HG CYS 23 38.303 32.432 21.259 244 H SER 24 H SER 24 35.580 36.134 25.059 245 HA SER 24 HA SER 24 36.979 38.459 25.622 246 1HB SER 24 1HB SER 24 35.320 36.718 27.048 247 2HB SER 24 2HB SER 24 36.812 36.741 27.994 248 HG SER 24 HG SER 24 35.132 38.903 27.236 249 H THR 25 H THR 25 37.624 35.389 26.845 250 HA THR 25 HA THR 25 40.494 35.445 26.314 251 HB THR 25 HB THR 25 39.879 36.262 28.782 252 HG1 THR 25 HG1 THR 25 41.677 34.641 29.419 253 1HG2 THR 25 2HG2 THR 25 39.599 33.263 28.899 254 2HG2 THR 25 3HG2 THR 25 39.658 34.338 30.301 255 3HG2 THR 25 1HG2 THR 25 38.302 34.437 29.165 256 HA PRO 26 HA PRO 26 38.360 31.892 24.945 257 1HB PRO 26 1HB PRO 26 40.525 30.632 23.749 258 2HB PRO 26 2HB PRO 26 39.605 31.961 23.019 259 1HG PRO 26 1HG PRO 26 42.294 32.031 24.332 260 2HG PRO 26 2HG PRO 26 41.649 33.063 23.043 261 1HD PRO 26 1HD PRO 26 41.821 33.796 25.763 262 2HD PRO 26 2HD PRO 26 40.797 34.590 24.548 263 H GLU 27 H GLU 27 40.636 31.953 27.366 264 HA GLU 27 HA GLU 27 41.147 29.126 27.787 265 1HB GLU 27 1HB GLU 27 41.577 31.679 29.220 266 2HB GLU 27 2HB GLU 27 41.543 30.220 30.205 267 1HG GLU 27 1HG GLU 27 43.205 29.196 28.601 268 2HG GLU 27 2HG GLU 27 43.349 30.781 27.839 269 H GLU 28 H GLU 28 38.348 30.745 27.908 270 HA GLU 28 HA GLU 28 37.128 28.841 29.781 271 1HB GLU 28 1HB GLU 28 35.996 30.563 31.053 272 2HB GLU 28 2HB GLU 28 37.711 30.968 31.046 273 1HG GLU 28 1HG GLU 28 37.067 32.322 28.868 274 2HG GLU 28 2HG GLU 28 35.455 32.292 29.585 275 H ILE 29 H ILE 29 37.026 31.203 27.332 276 HA ILE 29 HA ILE 29 34.519 31.383 26.373 277 HB ILE 29 HB ILE 29 37.191 31.617 25.613 278 1HG1 ILE 29 1HG1 ILE 29 36.334 33.706 24.818 279 2HG1 ILE 29 2HG1 ILE 29 34.685 33.091 24.804 280 1HG2 ILE 29 2HG2 ILE 29 35.113 30.764 23.658 281 2HG2 ILE 29 3HG2 ILE 29 36.623 31.538 23.176 282 3HG2 ILE 29 1HG2 ILE 29 36.663 29.995 24.031 283 1HD1 ILE 29 1HD1 ILE 29 36.279 32.905 27.288 284 2HD1 ILE 29 2HD1 ILE 29 35.665 34.496 26.832 285 3HD1 ILE 29 3HD1 ILE 29 34.543 33.158 27.102 286 H LYS 30 H LYS 30 36.807 28.711 26.035 287 HA LYS 30 HA LYS 30 35.531 27.311 23.949 288 1HB LYS 30 1HB LYS 30 36.598 25.725 26.237 289 2HB LYS 30 2HB LYS 30 36.897 25.525 24.519 290 1HG LYS 30 1HG LYS 30 38.270 27.633 24.619 291 2HG LYS 30 2HG LYS 30 38.129 27.538 26.376 292 1HD LYS 30 1HD LYS 30 39.006 25.091 24.908 293 2HD LYS 30 2HD LYS 30 40.174 26.397 25.105 294 1HE LYS 30 1HE LYS 30 40.431 25.963 27.310 295 2HE LYS 30 2HE LYS 30 38.689 25.843 27.565 296 1HZ LYS 30 1HZ LYS 30 39.484 23.641 26.053 297 2HZ LYS 30 2HZ LYS 30 40.569 23.772 27.355 298 3HZ LYS 30 3HZ LYS 30 38.898 23.657 27.645 299 H LYS 31 H LYS 31 34.999 27.650 27.304 300 HA LYS 31 HA LYS 31 32.698 25.748 27.341 301 1HB LYS 31 1HB LYS 31 34.557 26.817 29.312 302 2HB LYS 31 2HB LYS 31 32.885 27.009 29.841 303 1HG LYS 31 1HG LYS 31 32.729 24.809 30.288 304 2HG LYS 31 2HG LYS 31 33.220 24.412 28.640 305 1HD LYS 31 1HD LYS 31 35.573 25.282 29.874 306 2HD LYS 31 2HD LYS 31 34.774 24.293 31.096 307 1HE LYS 31 1HE LYS 31 35.006 23.337 28.247 308 2HE LYS 31 2HE LYS 31 36.326 23.099 29.392 309 1HZ LYS 31 1HZ LYS 31 34.596 22.107 30.907 310 2HZ LYS 31 2HZ LYS 31 33.552 22.083 29.566 311 3HZ LYS 31 3HZ LYS 31 34.997 21.190 29.536 312 H ARG 32 H ARG 32 32.601 28.258 25.849 313 HA ARG 32 HA ARG 32 30.459 29.710 27.343 314 1HB ARG 32 1HB ARG 32 32.447 30.551 25.259 315 2HB ARG 32 2HB ARG 32 30.918 31.406 25.388 316 1HG ARG 32 1HG ARG 32 32.691 32.511 26.732 317 2HG ARG 32 2HG ARG 32 31.375 31.928 27.750 318 1HD ARG 32 1HD ARG 32 33.437 29.901 27.344 319 2HD ARG 32 2HD ARG 32 34.099 31.358 28.088 320 HE ARG 32 HE ARG 32 31.657 30.088 29.255 321 1HH1 ARG 32 1HH2 ARG 32 32.946 32.453 30.546 322 2HH1 ARG 32 2HH2 ARG 32 33.947 31.717 31.754 323 1HH2 ARG 32 1HH1 ARG 32 33.810 28.561 30.321 324 2HH2 ARG 32 2HH1 ARG 32 34.435 29.515 31.624 325 H LYS 33 H LYS 33 30.688 27.241 25.469 326 HA LYS 33 HA LYS 33 29.132 26.149 24.093 327 1HB LYS 33 1HB LYS 33 27.694 28.524 24.965 328 2HB LYS 33 2HB LYS 33 27.292 28.112 23.301 329 1HG LYS 33 1HG LYS 33 27.414 25.882 25.279 330 2HG LYS 33 2HG LYS 33 26.043 26.987 25.386 331 1HD LYS 33 1HD LYS 33 26.540 26.279 22.625 332 2HD LYS 33 2HD LYS 33 26.340 24.826 23.604 333 1HE LYS 33 1HE LYS 33 24.432 27.150 23.856 334 2HE LYS 33 2HE LYS 33 24.201 25.910 22.624 335 1HZ LYS 33 3HZ LYS 33 24.227 24.235 24.383 336 2HZ LYS 33 1HZ LYS 33 24.389 25.456 25.554 337 3HZ LYS 33 2HZ LYS 33 22.979 25.358 24.612 338 H LYS 34 H LYS 34 29.843 25.725 22.052 339 HA LYS 34 HA LYS 34 29.797 27.792 20.006 340 1HB LYS 34 1HB LYS 34 32.529 26.799 20.025 341 2HB LYS 34 2HB LYS 34 31.934 28.451 19.891 342 1HG LYS 34 1HG LYS 34 31.839 28.718 22.247 343 2HG LYS 34 2HG LYS 34 31.994 26.980 22.526 344 1HD LYS 34 1HD LYS 34 34.201 27.404 22.779 345 2HD LYS 34 2HD LYS 34 34.229 27.518 21.024 346 1HE LYS 34 1HE LYS 34 33.571 29.913 22.732 347 2HE LYS 34 2HE LYS 34 35.236 29.480 22.349 348 1HZ LYS 34 1HZ LYS 34 33.140 29.835 20.288 349 2HZ LYS 34 2HZ LYS 34 34.179 31.086 20.785 350 3HZ LYS 34 3HZ LYS 34 34.817 29.697 20.053 351 H ALA 35 H ALA 35 29.565 24.575 20.761 352 HA ALA 35 HA ALA 35 29.768 23.867 17.945 353 1HB ALA 35 3HB ALA 35 31.361 22.741 20.167 354 2HB ALA 35 1HB ALA 35 30.542 21.529 19.169 355 3HB ALA 35 2HB ALA 35 31.664 22.682 18.433 356 H VAL 36 H VAL 36 28.050 22.428 17.451 357 HA VAL 36 HA VAL 36 26.448 21.266 19.579 358 HB VAL 36 HB VAL 36 24.544 22.829 18.602 359 1HG1 VAL 36 3HG1 VAL 36 25.928 22.578 21.007 360 2HG1 VAL 36 1HG1 VAL 36 25.912 24.311 20.665 361 3HG1 VAL 36 2HG1 VAL 36 24.393 23.413 20.745 362 1HG2 VAL 36 1HG2 VAL 36 27.067 24.489 18.472 363 2HG2 VAL 36 2HG2 VAL 36 25.998 24.096 17.121 364 3HG2 VAL 36 3HG2 VAL 36 25.438 25.147 18.431 365 H ILE 37 H ILE 37 24.645 20.124 18.834 366 HA ILE 37 HA ILE 37 24.293 19.966 15.916 367 HB ILE 37 HB ILE 37 24.256 17.840 18.038 368 1HG1 ILE 37 1HG1 ILE 37 25.255 17.168 15.388 369 2HG1 ILE 37 2HG1 ILE 37 26.110 18.537 16.096 370 1HG2 ILE 37 3HG2 ILE 37 22.866 17.910 15.344 371 2HG2 ILE 37 1HG2 ILE 37 23.142 16.427 16.265 372 3HG2 ILE 37 2HG2 ILE 37 22.130 17.707 16.945 373 1HD1 ILE 37 2HD1 ILE 37 26.083 17.044 18.265 374 2HD1 ILE 37 3HD1 ILE 37 25.909 15.727 17.100 375 3HD1 ILE 37 1HD1 ILE 37 27.315 16.792 17.028 376 H PHE 38 H PHE 38 21.972 19.452 15.449 377 HA PHE 38 HA PHE 38 20.180 19.909 17.699 378 1HB PHE 38 1HB PHE 38 19.190 21.506 15.523 379 2HB PHE 38 2HB PHE 38 19.544 22.008 17.174 380 HD1 PHE 38 HD2 PHE 38 22.357 22.248 17.598 381 HD2 PHE 38 HD1 PHE 38 20.204 22.613 13.867 382 HE1 PHE 38 HE2 PHE 38 24.213 23.513 16.632 383 HE2 PHE 38 HE1 PHE 38 22.089 23.926 12.945 384 HZ PHE 38 HZ PHE 38 24.085 24.370 14.320 385 H CYS 39 H CYS 39 17.813 20.146 16.313 386 HA CYS 39 HA CYS 39 17.751 18.094 14.235 387 1HB CYS 39 1HB CYS 39 15.783 17.322 16.205 388 2HB CYS 39 2HB CYS 39 17.082 16.343 15.526 389 HG CYS 39 HG CYS 39 18.463 16.736 17.564 390 H LEU 40 H LEU 40 15.357 19.242 16.592 391 HA LEU 40 HA LEU 40 14.526 21.299 14.947 392 1HB LEU 40 1HB LEU 40 12.296 20.173 14.181 393 2HB LEU 40 2HB LEU 40 13.784 19.983 13.250 394 HG LEU 40 HG LEU 40 14.223 17.854 14.278 395 1HD1 LEU 40 2HD1 LEU 40 12.108 18.839 16.122 396 2HD1 LEU 40 3HD1 LEU 40 12.100 17.106 15.774 397 3HD1 LEU 40 1HD1 LEU 40 13.535 17.864 16.463 398 1HD2 LEU 40 2HD2 LEU 40 12.349 18.320 12.420 399 2HD2 LEU 40 3HD2 LEU 40 12.620 16.692 13.063 400 3HD2 LEU 40 1HD2 LEU 40 11.289 17.681 13.680 401 H SER 41 H SER 41 13.711 19.242 17.611 402 HA SER 41 HA SER 41 12.953 20.871 19.527 403 1HB SER 41 1HB SER 41 11.671 22.430 18.331 404 2HB SER 41 2HB SER 41 10.835 21.179 17.414 405 HG SER 41 HG SER 41 9.473 21.946 19.023 406 H ALA 42 H ALA 42 11.276 20.165 21.067 407 HA ALA 42 HA ALA 42 10.931 17.276 21.026 408 1HB ALA 42 3HB ALA 42 10.083 19.523 22.845 409 2HB ALA 42 1HB ALA 42 9.296 17.952 23.003 410 3HB ALA 42 2HB ALA 42 11.039 18.090 23.227 411 H ASP 43 H ASP 43 9.084 16.199 20.283 412 HA ASP 43 HA ASP 43 6.853 15.984 19.451 413 1HB ASP 43 1HB ASP 43 6.368 18.162 20.805 414 2HB ASP 43 2HB ASP 43 6.637 18.991 19.270 415 H LYS 44 H LYS 44 9.498 17.728 18.269 416 HA LYS 44 HA LYS 44 10.441 17.810 16.175 417 1HB LYS 44 1HB LYS 44 8.234 15.923 15.803 418 2HB LYS 44 2HB LYS 44 8.659 16.798 14.337 419 1HG LYS 44 1HG LYS 44 9.949 14.659 14.666 420 2HG LYS 44 2HG LYS 44 10.971 16.086 14.514 421 1HD LYS 44 1HD LYS 44 11.942 15.245 16.408 422 2HD LYS 44 2HD LYS 44 10.600 16.067 17.200 423 1HE LYS 44 1HE LYS 44 10.465 13.904 18.092 424 2HE LYS 44 2HE LYS 44 9.298 13.847 16.771 425 1HZ LYS 44 1HZ LYS 44 11.719 13.225 15.636 426 2HZ LYS 44 2HZ LYS 44 11.706 12.376 17.106 427 3HZ LYS 44 3HZ LYS 44 10.455 12.145 15.985 428 H LYS 45 H LYS 45 10.646 19.776 15.492 429 HA LYS 45 HA LYS 45 8.675 21.072 13.841 430 1HB LYS 45 1HB LYS 45 8.957 21.653 16.740 431 2HB LYS 45 2HB LYS 45 8.664 23.023 15.644 432 1HG LYS 45 1HG LYS 45 6.854 21.209 14.724 433 2HG LYS 45 2HG LYS 45 6.880 20.812 16.441 434 1HD LYS 45 1HD LYS 45 6.366 23.101 17.048 435 2HD LYS 45 2HD LYS 45 6.532 23.626 15.372 436 1HE LYS 45 1HE LYS 45 4.406 23.055 14.912 437 2HE LYS 45 2HE LYS 45 4.641 21.439 15.581 438 1HZ LYS 45 3HZ LYS 45 4.591 22.972 17.789 439 2HZ LYS 45 1HZ LYS 45 3.481 23.786 16.792 440 3HZ LYS 45 2HZ LYS 45 3.249 22.144 17.164 441 H CYS 46 H CYS 46 10.400 23.212 15.877 442 HA CYS 46 HA CYS 46 11.845 24.606 14.015 443 1HB CYS 46 1HB CYS 46 12.461 24.005 16.910 444 2HB CYS 46 2HB CYS 46 13.239 25.295 16.001 445 HG CYS 46 HG CYS 46 10.633 26.148 15.587 446 H ILE 47 H ILE 47 14.496 24.538 15.138 447 HA ILE 47 HA ILE 47 15.727 22.141 13.861 448 HB ILE 47 HB ILE 47 16.110 24.632 13.051 449 1HG1 ILE 47 1HG1 ILE 47 18.572 23.922 12.656 450 2HG1 ILE 47 2HG1 ILE 47 18.077 22.411 13.445 451 1HG2 ILE 47 1HG2 ILE 47 17.033 24.776 15.712 452 2HG2 ILE 47 2HG2 ILE 47 18.476 24.770 14.686 453 3HG2 ILE 47 3HG2 ILE 47 17.208 25.980 14.452 454 1HD1 ILE 47 2HD1 ILE 47 15.946 22.843 11.877 455 2HD1 ILE 47 3HD1 ILE 47 17.221 23.581 10.870 456 3HD1 ILE 47 1HD1 ILE 47 17.358 21.866 11.367 457 H ILE 48 H ILE 48 14.752 22.564 16.587 458 HA ILE 48 HA ILE 48 16.261 23.285 18.665 459 HB ILE 48 HB ILE 48 14.103 21.780 18.389 460 1HG1 ILE 48 1HG1 ILE 48 14.941 23.324 20.265 461 2HG1 ILE 48 2HG1 ILE 48 13.873 21.994 20.736 462 1HG2 ILE 48 2HG2 ILE 48 15.512 19.740 18.103 463 2HG2 ILE 48 3HG2 ILE 48 16.108 19.972 19.731 464 3HG2 ILE 48 1HG2 ILE 48 14.402 19.636 19.456 465 1HD1 ILE 48 1HD1 ILE 48 16.534 21.007 20.594 466 2HD1 ILE 48 2HD1 ILE 48 16.544 22.466 21.586 467 3HD1 ILE 48 3HD1 ILE 48 15.487 21.118 22.004 468 H VAL 49 H VAL 49 17.737 22.667 19.954 469 HA VAL 49 HA VAL 49 19.662 20.524 19.199 470 HB VAL 49 HB VAL 49 19.799 22.608 21.393 471 1HG1 VAL 49 3HG1 VAL 49 21.090 20.367 21.616 472 2HG1 VAL 49 1HG1 VAL 49 22.089 20.976 20.299 473 3HG1 VAL 49 2HG1 VAL 49 22.002 21.863 21.818 474 1HG2 VAL 49 1HG2 VAL 49 20.730 22.556 18.545 475 2HG2 VAL 49 2HG2 VAL 49 20.043 23.892 19.476 476 3HG2 VAL 49 3HG2 VAL 49 21.716 23.395 19.743 477 H GLU 50 H GLU 50 18.669 18.567 19.955 478 HA GLU 50 HA GLU 50 18.113 18.551 22.881 479 1HB GLU 50 1HB GLU 50 16.057 19.341 21.614 480 2HB GLU 50 2HB GLU 50 15.949 17.706 20.966 481 1HG GLU 50 1HG GLU 50 14.905 17.051 22.848 482 2HG GLU 50 2HG GLU 50 16.350 17.467 23.772 483 H GLU 51 H GLU 51 20.109 17.004 21.804 484 HA GLU 51 HA GLU 51 18.900 14.299 22.078 485 1HB GLU 51 1HB GLU 51 21.390 14.616 20.532 486 2HB GLU 51 2HB GLU 51 20.100 13.440 20.311 487 1HG GLU 51 1HG GLU 51 19.670 16.368 19.721 488 2HG GLU 51 2HG GLU 51 20.361 15.286 18.520 489 H GLY 52 H GLY 52 20.859 16.533 23.377 490 1HA GLY 52 1HA GLY 52 22.287 16.379 25.251 491 2HA GLY 52 2HA GLY 52 22.135 14.621 25.168 492 H LYS 53 H LYS 53 22.925 16.193 22.192 493 HA LYS 53 HA LYS 53 25.636 15.012 22.335 494 1HB LYS 53 1HB LYS 53 23.935 16.156 20.101 495 2HB LYS 53 2HB LYS 53 25.587 15.608 19.858 496 1HG LYS 53 1HG LYS 53 25.043 13.349 20.249 497 2HG LYS 53 2HG LYS 53 23.582 13.758 21.143 498 1HD LYS 53 1HD LYS 53 23.683 12.985 18.434 499 2HD LYS 53 2HD LYS 53 22.317 13.735 19.247 500 1HE LYS 53 1HE LYS 53 24.496 15.510 18.285 501 2HE LYS 53 2HE LYS 53 23.416 14.801 17.091 502 1HZ LYS 53 1HZ LYS 53 22.005 15.772 19.366 503 2HZ LYS 53 2HZ LYS 53 22.874 17.002 18.612 504 3HZ LYS 53 3HZ LYS 53 21.749 16.100 17.724 505 H GLU 54 H GLU 54 25.929 17.391 20.114 506 HA GLU 54 HA GLU 54 26.799 19.561 20.075 507 1HB GLU 54 1HB GLU 54 25.330 20.776 21.275 508 2HB GLU 54 2HB GLU 54 25.152 19.515 22.500 509 1HG GLU 54 1HG GLU 54 27.237 20.182 23.572 510 2HG GLU 54 2HG GLU 54 27.570 21.349 22.291 511 H ILE 55 H ILE 55 28.709 20.553 20.506 512 HA ILE 55 HA ILE 55 30.397 19.523 22.726 513 HB ILE 55 HB ILE 55 30.868 19.500 19.845 514 1HG1 ILE 55 1HG1 ILE 55 32.418 18.218 22.052 515 2HG1 ILE 55 2HG1 ILE 55 30.832 17.598 21.546 516 1HG2 ILE 55 3HG2 ILE 55 32.956 20.485 21.794 517 2HG2 ILE 55 1HG2 ILE 55 33.325 19.780 20.222 518 3HG2 ILE 55 2HG2 ILE 55 32.425 21.288 20.322 519 1HD1 ILE 55 2HD1 ILE 55 32.147 18.273 19.236 520 2HD1 ILE 55 3HD1 ILE 55 33.352 17.438 20.208 521 3HD1 ILE 55 1HD1 ILE 55 31.822 16.657 19.825 522 H LEU 56 H LEU 56 32.124 21.307 23.188 523 HA LEU 56 HA LEU 56 31.189 23.919 22.147 524 1HB LEU 56 1HB LEU 56 32.123 24.165 24.863 525 2HB LEU 56 2HB LEU 56 30.653 24.793 24.116 526 HG LEU 56 HG LEU 56 29.846 22.328 24.208 527 1HD1 LEU 56 3HD1 LEU 56 32.298 21.771 24.941 528 2HD1 LEU 56 1HD1 LEU 56 31.727 22.236 26.548 529 3HD1 LEU 56 2HD1 LEU 56 30.952 20.902 25.686 530 1HD2 LEU 56 2HD2 LEU 56 29.022 24.310 25.484 531 2HD2 LEU 56 3HD2 LEU 56 28.902 22.803 26.404 532 3HD2 LEU 56 1HD2 LEU 56 30.207 23.949 26.746 533 H VAL 57 H VAL 57 33.569 22.178 21.597 534 HA VAL 57 HA VAL 57 35.797 22.569 21.158 535 HB VAL 57 HB VAL 57 36.267 24.632 20.511 536 1HG1 VAL 57 2HG1 VAL 57 33.658 24.373 20.317 537 2HG1 VAL 57 3HG1 VAL 57 33.644 25.687 21.485 538 3HG1 VAL 57 1HG1 VAL 57 34.429 25.909 19.925 539 1HG2 VAL 57 1HG2 VAL 57 37.040 25.329 22.737 540 2HG2 VAL 57 2HG2 VAL 57 36.197 26.655 21.947 541 3HG2 VAL 57 3HG2 VAL 57 35.393 25.728 23.200 542 H GLY 58 H GLY 58 35.011 24.348 24.220 543 1HA GLY 58 1HA GLY 58 37.400 24.008 25.558 544 2HA GLY 58 2HA GLY 58 35.837 23.916 26.373 545 H ASP 59 H ASP 59 34.792 21.595 25.195 546 HA ASP 59 HA ASP 59 36.087 19.568 26.737 547 1HB ASP 59 1HB ASP 59 34.013 19.530 24.565 548 2HB ASP 59 2HB ASP 59 34.760 18.011 25.080 549 H VAL 60 H VAL 60 36.228 20.374 23.270 550 HA VAL 60 HA VAL 60 37.755 18.317 22.263 551 HB VAL 60 HB VAL 60 37.654 21.236 21.716 552 1HG1 VAL 60 2HG1 VAL 60 39.957 19.463 20.969 553 2HG1 VAL 60 3HG1 VAL 60 39.456 20.779 19.909 554 3HG1 VAL 60 1HG1 VAL 60 39.983 21.125 21.551 555 1HG2 VAL 60 1HG2 VAL 60 36.908 18.683 20.492 556 2HG2 VAL 60 2HG2 VAL 60 36.218 20.289 20.248 557 3HG2 VAL 60 3HG2 VAL 60 37.657 19.800 19.351 558 H GLY 61 H GLY 61 39.148 17.352 23.678 559 1HA GLY 61 1HA GLY 61 41.741 17.566 23.858 560 2HA GLY 61 2HA GLY 61 41.355 18.983 24.832 561 H VAL 62 H VAL 62 38.899 17.011 25.461 562 HA VAL 62 HA VAL 62 40.234 15.710 27.796 563 HB VAL 62 HB VAL 62 37.421 16.740 27.315 564 1HG1 VAL 62 1HG1 VAL 62 38.427 14.723 29.304 565 2HG1 VAL 62 2HG1 VAL 62 37.075 15.779 29.711 566 3HG1 VAL 62 3HG1 VAL 62 36.956 14.686 28.331 567 1HG2 VAL 62 2HG2 VAL 62 39.478 17.251 29.483 568 2HG2 VAL 62 3HG2 VAL 62 39.062 18.348 28.167 569 3HG2 VAL 62 1HG2 VAL 62 37.871 17.973 29.411 570 H THR 63 H THR 63 37.049 15.061 26.492 571 HA THR 63 HA THR 63 37.795 12.283 25.941 572 HB THR 63 HB THR 63 35.184 13.691 25.341 573 HG1 THR 63 HG1 THR 63 34.820 12.375 27.480 574 1HG2 THR 63 1HG2 THR 63 35.930 11.310 24.494 575 2HG2 THR 63 2HG2 THR 63 35.499 10.833 26.136 576 3HG2 THR 63 3HG2 THR 63 34.292 11.577 25.086 577 H ILE 64 H ILE 64 37.768 15.358 24.451 578 HA ILE 64 HA ILE 64 37.924 14.069 21.761 579 HB ILE 64 HB ILE 64 37.441 16.756 21.288 580 1HG1 ILE 64 1HG1 ILE 64 35.974 15.824 23.760 581 2HG1 ILE 64 2HG1 ILE 64 36.685 17.405 23.430 582 1HG2 ILE 64 1HG2 ILE 64 36.457 14.355 20.546 583 2HG2 ILE 64 2HG2 ILE 64 35.118 14.936 21.542 584 3HG2 ILE 64 3HG2 ILE 64 35.655 15.877 20.148 585 1HD1 ILE 64 3HD1 ILE 64 34.967 17.489 21.466 586 2HD1 ILE 64 1HD1 ILE 64 34.139 16.216 22.356 587 3HD1 ILE 64 2HD1 ILE 64 34.380 17.798 23.103 588 H THR 65 H THR 65 39.147 16.096 20.311 589 HA THR 65 HA THR 65 41.399 17.177 21.833 590 HB THR 65 HB THR 65 42.595 15.550 19.786 591 HG1 THR 65 HG1 THR 65 41.347 13.880 20.006 592 1HG2 THR 65 3HG2 THR 65 42.772 15.701 22.804 593 2HG2 THR 65 1HG2 THR 65 43.835 14.692 21.821 594 3HG2 THR 65 2HG2 THR 65 43.855 16.445 21.627 595 H ASP 66 H ASP 66 39.318 17.942 19.688 596 HA ASP 66 HA ASP 66 39.554 19.901 18.331 597 1HB ASP 66 1HB ASP 66 42.010 19.836 19.155 598 2HB ASP 66 2HB ASP 66 42.332 19.116 17.576 599 HA PRO 67 HA PRO 67 40.188 17.115 14.484 600 1HB PRO 67 1HB PRO 67 39.257 14.551 14.849 601 2HB PRO 67 2HB PRO 67 40.951 15.007 15.051 602 1HG PRO 67 1HG PRO 67 38.899 14.469 17.159 603 2HG PRO 67 2HG PRO 67 40.648 14.183 17.191 604 1HD PRO 67 1HD PRO 67 39.367 16.351 18.422 605 2HD PRO 67 2HD PRO 67 41.092 16.277 17.993 606 H PHE 68 H PHE 68 37.656 14.950 15.217 607 HA PHE 68 HA PHE 68 35.380 16.689 15.350 608 1HB PHE 68 1HB PHE 68 34.736 16.906 13.111 609 2HB PHE 68 2HB PHE 68 36.497 17.028 12.951 610 HD1 PHE 68 HD1 PHE 68 37.833 14.943 12.610 611 HD2 PHE 68 HD2 PHE 68 33.577 15.044 12.170 612 HE1 PHE 68 HE1 PHE 68 37.909 12.768 11.450 613 HE2 PHE 68 HE2 PHE 68 33.655 12.860 10.989 614 HZ PHE 68 HZ PHE 68 35.811 11.719 10.639 615 H LYS 69 H LYS 69 36.850 13.654 14.337 616 HA LYS 69 HA LYS 69 34.546 12.076 13.888 617 1HB LYS 69 1HB LYS 69 35.990 10.193 14.037 618 2HB LYS 69 2HB LYS 69 36.966 11.502 13.377 619 1HG LYS 69 1HG LYS 69 38.417 10.817 15.014 620 2HG LYS 69 2HG LYS 69 37.444 11.917 15.989 621 1HD LYS 69 1HD LYS 69 37.671 9.800 17.174 622 2HD LYS 69 2HD LYS 69 36.001 9.978 16.645 623 1HE LYS 69 1HE LYS 69 36.626 7.740 16.101 624 2HE LYS 69 2HE LYS 69 36.646 8.626 14.579 625 1HZ LYS 69 1HZ LYS 69 39.153 8.867 15.826 626 2HZ LYS 69 2HZ LYS 69 38.732 7.222 15.764 627 3HZ LYS 69 3HZ LYS 69 38.776 8.146 14.340 628 H HIS 70 H HIS 70 35.365 13.545 16.798 629 HA HIS 70 HA HIS 70 34.244 11.374 18.464 630 1HB HIS 70 1HB HIS 70 35.536 12.475 19.969 631 2HB HIS 70 2HB HIS 70 35.555 13.955 18.988 632 HD1 HIS 70 HD1 HIS 70 33.306 12.046 21.357 633 HD2 HIS 70 HD2 HIS 70 33.529 15.773 19.529 634 HE1 HIS 70 HE1 HIS 70 31.450 13.454 22.328 635 H PHE 71 H PHE 71 33.584 14.667 17.410 636 HA PHE 71 HA PHE 71 31.008 14.903 18.522 637 1HB PHE 71 1HB PHE 71 32.036 16.944 17.972 638 2HB PHE 71 2HB PHE 71 32.698 16.320 16.480 639 HD1 PHE 71 HD1 PHE 71 30.919 15.705 14.636 640 HD2 PHE 71 HD2 PHE 71 30.237 18.438 17.898 641 HE1 PHE 71 HE1 PHE 71 29.137 16.819 13.340 642 HE2 PHE 71 HE2 PHE 71 28.421 19.514 16.604 643 HZ PHE 71 HZ PHE 71 27.871 18.713 14.324 644 H VAL 72 H VAL 72 32.247 13.437 15.568 645 HA VAL 72 HA VAL 72 29.725 13.237 14.191 646 HB VAL 72 HB VAL 72 30.840 11.490 12.939 647 1HG1 VAL 72 3HG1 VAL 72 31.763 14.099 13.218 648 2HG1 VAL 72 1HG1 VAL 72 33.211 13.092 13.225 649 3HG1 VAL 72 2HG1 VAL 72 32.092 13.008 11.868 650 1HG2 VAL 72 2HG2 VAL 72 32.593 11.479 15.307 651 2HG2 VAL 72 3HG2 VAL 72 31.856 10.115 14.478 652 3HG2 VAL 72 1HG2 VAL 72 33.239 10.933 13.758 653 H GLY 73 H GLY 73 31.290 11.743 16.810 654 1HA GLY 73 1HA GLY 73 29.620 9.398 17.115 655 2HA GLY 73 2HA GLY 73 30.591 10.139 18.403 656 H MET 74 H MET 74 29.608 12.794 18.170 657 HA MET 74 HA MET 74 27.096 12.692 19.649 658 1HB MET 74 1HB MET 74 28.710 14.899 18.362 659 2HB MET 74 2HB MET 74 27.146 15.205 19.105 660 1HG MET 74 1HG MET 74 28.041 14.031 21.176 661 2HG MET 74 2HG MET 74 29.632 14.112 20.415 662 1HE MET 74 2HE MET 74 30.295 16.205 19.103 663 2HE MET 74 3HE MET 74 28.761 17.012 18.738 664 3HE MET 74 1HE MET 74 30.013 17.861 19.662 665 H LEU 75 H LEU 75 28.030 12.384 16.488 666 HA LEU 75 HA LEU 75 25.359 13.031 15.393 667 1HB LEU 75 1HB LEU 75 27.935 12.328 13.939 668 2HB LEU 75 2HB LEU 75 26.458 12.896 13.208 669 HG LEU 75 HG LEU 75 28.346 14.428 14.964 670 1HD1 LEU 75 2HD1 LEU 75 27.809 14.185 12.130 671 2HD1 LEU 75 3HD1 LEU 75 27.578 15.847 12.672 672 3HD1 LEU 75 1HD1 LEU 75 29.118 15.035 12.947 673 1HD2 LEU 75 1HD2 LEU 75 25.883 14.797 15.532 674 2HD2 LEU 75 2HD2 LEU 75 26.789 16.225 15.036 675 3HD2 LEU 75 3HD2 LEU 75 25.705 15.430 13.895 676 HA PRO 76 HA PRO 76 25.844 8.407 16.003 677 1HB PRO 76 1HB PRO 76 23.243 8.011 16.869 678 2HB PRO 76 2HB PRO 76 24.608 8.348 17.943 679 1HG PRO 76 1HG PRO 76 22.467 10.213 16.969 680 2HG PRO 76 2HG PRO 76 23.277 10.160 18.546 681 1HD PRO 76 1HD PRO 76 23.930 11.978 16.589 682 2HD PRO 76 2HD PRO 76 25.075 11.405 17.815 683 H GLU 77 H GLU 77 23.151 7.187 15.335 684 HA GLU 77 HA GLU 77 23.006 8.088 12.505 685 1HB GLU 77 1HB GLU 77 22.540 5.261 13.247 686 2HB GLU 77 2HB GLU 77 23.190 5.909 11.738 687 1HG GLU 77 1HG GLU 77 25.326 6.355 12.776 688 2HG GLU 77 2HG GLU 77 24.681 5.977 14.375 689 H LYS 78 H LYS 78 21.384 7.919 15.240 690 HA LYS 78 HA LYS 78 18.875 7.012 13.935 691 1HB LYS 78 1HB LYS 78 18.237 6.951 16.540 692 2HB LYS 78 2HB LYS 78 19.036 5.605 15.723 693 1HG LYS 78 1HG LYS 78 20.253 6.146 17.777 694 2HG LYS 78 2HG LYS 78 21.235 6.546 16.374 695 1HD LYS 78 1HD LYS 78 21.305 8.739 16.925 696 2HD LYS 78 2HD LYS 78 19.552 8.786 17.169 697 1HE LYS 78 1HE LYS 78 20.091 7.469 19.370 698 2HE LYS 78 2HE LYS 78 21.716 8.113 19.142 699 1HZ LYS 78 3HZ LYS 78 20.015 10.228 18.702 700 2HZ LYS 78 1HZ LYS 78 19.379 9.433 20.062 701 3HZ LYS 78 2HZ LYS 78 20.987 9.970 20.072 702 H ASP 79 H ASP 79 20.269 10.001 14.799 703 HA ASP 79 HA ASP 79 17.794 11.370 14.400 704 1HB ASP 79 1HB ASP 79 17.837 10.000 16.902 705 2HB ASP 79 2HB ASP 79 17.778 11.736 17.211 706 H CYS 80 H CYS 80 18.782 13.151 13.689 707 HA CYS 80 HA CYS 80 19.247 15.432 14.921 708 1HB CYS 80 1HB CYS 80 21.748 15.509 15.489 709 2HB CYS 80 2HB CYS 80 20.707 14.677 16.638 710 HG CYS 80 HG CYS 80 21.550 12.487 15.002 711 H ARG 81 H ARG 81 20.276 17.005 13.479 712 HA ARG 81 HA ARG 81 21.693 15.830 11.168 713 1HB ARG 81 1HB ARG 81 19.336 15.637 10.596 714 2HB ARG 81 2HB ARG 81 19.109 17.359 10.902 715 1HG ARG 81 1HG ARG 81 19.486 17.535 8.659 716 2HG ARG 81 2HG ARG 81 21.181 17.453 9.147 717 1HD ARG 81 1HD ARG 81 21.449 15.376 8.267 718 2HD ARG 81 2HD ARG 81 19.896 14.819 8.885 719 HE ARG 81 HE ARG 81 20.050 16.528 6.437 720 1HH1 ARG 81 1HH2 ARG 81 19.701 13.388 7.687 721 2HH1 ARG 81 2HH2 ARG 81 18.373 12.958 6.663 722 1HH2 ARG 81 1HH1 ARG 81 18.039 16.131 5.307 723 2HH2 ARG 81 2HH1 ARG 81 17.429 14.510 5.320 724 H TYR 82 H TYR 82 20.417 19.023 12.452 725 HA TYR 82 HA TYR 82 22.623 20.250 10.855 726 1HB TYR 82 1HB TYR 82 20.194 21.404 12.222 727 2HB TYR 82 2HB TYR 82 21.429 22.401 11.448 728 HD1 TYR 82 HD2 TYR 82 21.708 19.555 9.632 729 HD2 TYR 82 HD1 TYR 82 18.829 22.672 10.256 730 HE1 TYR 82 HE2 TYR 82 20.737 19.072 7.430 731 HE2 TYR 82 HE1 TYR 82 17.844 22.191 8.041 732 HH TYR 82 HH TYR 82 18.261 21.124 6.029 733 H ALA 83 H ALA 83 24.509 20.893 11.782 734 HA ALA 83 HA ALA 83 24.489 21.469 14.663 735 1HB ALA 83 1HB ALA 83 26.257 19.409 13.354 736 2HB ALA 83 2HB ALA 83 26.391 19.954 15.020 737 3HB ALA 83 3HB ALA 83 24.955 19.080 14.490 738 H LEU 84 H LEU 84 25.626 23.213 15.043 739 HA LEU 84 HA LEU 84 27.734 24.044 13.179 740 1HB LEU 84 1HB LEU 84 26.219 25.491 15.339 741 2HB LEU 84 2HB LEU 84 27.651 26.183 14.579 742 HG LEU 84 HG LEU 84 25.135 25.304 13.148 743 1HD1 LEU 84 1HD1 LEU 84 24.972 27.431 14.431 744 2HD1 LEU 84 2HD1 LEU 84 26.359 28.041 13.529 745 3HD1 LEU 84 3HD1 LEU 84 24.855 27.678 12.687 746 1HD2 LEU 84 3HD2 LEU 84 27.835 25.565 12.273 747 2HD2 LEU 84 1HD2 LEU 84 26.399 25.214 11.313 748 3HD2 LEU 84 2HD2 LEU 84 26.902 26.887 11.579 749 H TYR 85 H TYR 85 29.715 23.206 13.760 750 HA TYR 85 HA TYR 85 30.319 23.079 16.691 751 1HB TYR 85 1HB TYR 85 30.280 20.843 16.081 752 2HB TYR 85 2HB TYR 85 30.854 21.170 14.445 753 HD1 TYR 85 HD2 TYR 85 31.854 20.914 18.011 754 HD2 TYR 85 HD1 TYR 85 33.212 21.357 13.939 755 HE1 TYR 85 HE2 TYR 85 34.180 20.433 18.727 756 HE2 TYR 85 HE1 TYR 85 35.529 20.831 14.671 757 HH TYR 85 HH TYR 85 36.416 20.695 18.025 758 H ASP 86 H ASP 86 31.760 24.598 17.168 759 HA ASP 86 HA ASP 86 33.383 26.098 15.444 760 1HB ASP 86 1HB ASP 86 33.099 25.787 18.245 761 2HB ASP 86 2HB ASP 86 34.814 25.563 17.901 762 H ALA 87 H ALA 87 34.751 25.199 13.925 763 HA ALA 87 HA ALA 87 36.162 22.683 14.582 764 1HB ALA 87 3HB ALA 87 35.449 24.089 12.152 765 2HB ALA 87 1HB ALA 87 37.170 23.679 12.153 766 3HB ALA 87 2HB ALA 87 35.951 22.414 12.359 767 H SER 88 H SER 88 38.479 22.511 14.536 768 HA SER 88 HA SER 88 39.900 25.112 14.882 769 1HB SER 88 1HB SER 88 41.304 23.523 16.537 770 2HB SER 88 2HB SER 88 39.938 24.502 17.070 771 HG SER 88 HG SER 88 38.612 22.700 16.820 772 H PHE 89 H PHE 89 40.816 25.036 12.868 773 HA PHE 89 HA PHE 89 42.830 22.867 12.350 774 1HB PHE 89 1HB PHE 89 42.131 22.811 10.022 775 2HB PHE 89 2HB PHE 89 40.680 22.610 11.017 776 HD1 PHE 89 HD2 PHE 89 42.727 25.101 9.194 777 HD2 PHE 89 HD1 PHE 89 38.927 24.253 10.991 778 HE1 PHE 89 HE2 PHE 89 41.794 27.183 8.202 779 HE2 PHE 89 HE1 PHE 89 37.995 26.332 10.016 780 HZ PHE 89 HZ PHE 89 39.429 27.799 8.620 781 H GLU 90 H GLU 90 44.464 23.603 10.644 782 HA GLU 90 HA GLU 90 44.868 26.563 10.828 783 1HB GLU 90 1HB GLU 90 46.931 24.465 10.108 784 2HB GLU 90 2HB GLU 90 47.207 26.212 10.227 785 1HG GLU 90 1HG GLU 90 47.250 26.191 12.463 786 2HG GLU 90 2HG GLU 90 45.888 25.065 12.564 787 H THR 91 H THR 91 45.792 27.529 8.826 788 HA THR 91 HA THR 91 44.985 26.048 6.417 789 HB THR 91 HB THR 91 42.981 27.231 6.780 790 HG1 THR 91 HG1 THR 91 42.940 28.599 5.170 791 1HG2 THR 91 3HG2 THR 91 43.915 28.354 8.799 792 2HG2 THR 91 1HG2 THR 91 44.613 29.585 7.744 793 3HG2 THR 91 2HG2 THR 91 42.861 29.389 7.845 794 H LYS 92 H LYS 92 45.394 27.953 4.403 795 HA LYS 92 HA LYS 92 48.208 28.430 4.490 796 1HB LYS 92 1HB LYS 92 46.112 30.065 3.015 797 2HB LYS 92 2HB LYS 92 47.819 29.907 2.589 798 1HG LYS 92 1HG LYS 92 47.482 27.471 2.226 799 2HG LYS 92 2HG LYS 92 45.764 27.666 2.581 800 1HD LYS 92 1HD LYS 92 45.682 27.868 0.290 801 2HD LYS 92 2HD LYS 92 45.991 29.556 0.698 802 1HE LYS 92 1HE LYS 92 48.496 28.160 0.590 803 2HE LYS 92 2HE LYS 92 47.596 27.831 -0.892 804 1HZ LYS 92 1HZ LYS 92 47.160 30.327 -0.908 805 2HZ LYS 92 2HZ LYS 92 48.427 30.438 0.218 806 3HZ LYS 92 3HZ LYS 92 48.716 29.802 -1.331 807 H GLU 93 H GLU 93 45.450 29.861 5.970 808 HA GLU 93 HA GLU 93 46.703 32.387 6.686 809 1HB GLU 93 1HB GLU 93 44.350 31.297 8.188 810 2HB GLU 93 2HB GLU 93 44.677 32.950 7.676 811 1HG GLU 93 1HG GLU 93 43.822 30.658 5.878 812 2HG GLU 93 2HG GLU 93 42.836 32.035 6.355 813 H SER 94 H SER 94 46.244 29.197 8.050 814 HA SER 94 HA SER 94 48.015 28.340 9.578 815 1HB SER 94 1HB SER 94 47.398 30.952 10.915 816 2HB SER 94 2HB SER 94 48.408 29.671 11.594 817 HG SER 94 HG SER 94 49.238 30.198 9.110 818 H ARG 95 H ARG 95 47.534 28.263 12.212 819 HA ARG 95 HA ARG 95 45.242 26.809 12.608 820 1HB ARG 95 1HB ARG 95 45.602 27.132 14.926 821 2HB ARG 95 2HB ARG 95 47.206 27.206 14.201 822 1HG ARG 95 1HG ARG 95 47.370 29.515 14.482 823 2HG ARG 95 2HG ARG 95 45.621 29.737 14.547 824 1HD ARG 95 1HD ARG 95 45.448 28.867 16.692 825 2HD ARG 95 2HD ARG 95 47.025 28.086 16.596 826 HE ARG 95 HE ARG 95 46.557 30.952 17.173 827 1HH1 ARG 95 1HH2 ARG 95 48.875 29.278 15.460 828 2HH1 ARG 95 2HH2 ARG 95 50.202 29.688 16.490 829 1HH2 ARG 95 1HH1 ARG 95 48.211 31.091 18.954 830 2HH2 ARG 95 2HH1 ARG 95 49.829 30.709 18.465 831 H LYS 96 H LYS 96 43.284 27.359 13.151 832 HA LYS 96 HA LYS 96 42.215 29.944 13.686 833 1HB LYS 96 1HB LYS 96 42.415 29.049 10.809 834 2HB LYS 96 2HB LYS 96 40.989 29.948 11.320 835 1HG LYS 96 1HG LYS 96 42.907 31.506 12.409 836 2HG LYS 96 2HG LYS 96 43.813 30.861 11.030 837 1HD LYS 96 1HD LYS 96 41.689 31.455 9.646 838 2HD LYS 96 2HD LYS 96 41.247 32.465 11.021 839 1HE LYS 96 1HE LYS 96 43.992 32.684 9.811 840 2HE LYS 96 2HE LYS 96 42.628 33.525 9.075 841 1HZ LYS 96 2HZ LYS 96 42.328 34.096 11.691 842 2HZ LYS 96 3HZ LYS 96 44.021 34.084 11.530 843 3HZ LYS 96 1HZ LYS 96 43.079 35.108 10.557 844 H GLU 97 H GLU 97 40.433 29.252 14.858 845 HA GLU 97 HA GLU 97 39.273 26.670 14.126 846 1HB GLU 97 1HB GLU 97 39.509 26.523 16.372 847 2HB GLU 97 2HB GLU 97 39.551 28.270 16.584 848 1HG GLU 97 1HG GLU 97 37.065 28.272 16.161 849 2HG GLU 97 2HG GLU 97 37.127 26.511 16.250 850 H GLU 98 H GLU 98 37.658 26.747 12.785 851 HA GLU 98 HA GLU 98 35.665 28.955 12.994 852 1HB GLU 98 1HB GLU 98 36.443 29.648 11.000 853 2HB GLU 98 2HB GLU 98 37.312 28.138 10.713 854 1HG GLU 98 1HG GLU 98 35.403 27.074 9.825 855 2HG GLU 98 2HG GLU 98 34.307 28.277 10.506 856 H LEU 99 H LEU 99 33.857 28.046 13.652 857 HA LEU 99 HA LEU 99 33.063 25.360 13.635 858 1HB LEU 99 1HB LEU 99 31.128 26.157 14.493 859 2HB LEU 99 2HB LEU 99 31.923 27.728 14.430 860 HG LEU 99 HG LEU 99 30.063 26.535 12.348 861 1HD1 LEU 99 3HD1 LEU 99 29.996 28.849 14.276 862 2HD1 LEU 99 1HD1 LEU 99 28.939 28.813 12.852 863 3HD1 LEU 99 2HD1 LEU 99 28.815 27.543 14.085 864 1HD2 LEU 99 3HD2 LEU 99 32.259 28.202 11.854 865 2HD2 LEU 99 1HD2 LEU 99 30.864 27.952 10.777 866 3HD2 LEU 99 2HD2 LEU 99 30.875 29.297 11.935 867 H MET 100 H MET 100 31.153 24.473 12.351 868 HA MET 100 HA MET 100 30.906 25.414 9.591 869 1HB MET 100 1HB MET 100 32.152 22.781 10.286 870 2HB MET 100 2HB MET 100 31.678 23.280 8.658 871 1HG MET 100 1HG MET 100 33.185 25.265 8.867 872 2HG MET 100 2HG MET 100 33.728 24.657 10.424 873 1HE MET 100 2HE MET 100 33.405 21.677 9.898 874 2HE MET 100 3HE MET 100 32.701 21.900 8.295 875 3HE MET 100 1HE MET 100 34.195 20.976 8.472 876 H PHE 101 H PHE 101 28.999 24.798 8.729 877 HA PHE 101 HA PHE 101 27.000 23.823 10.438 878 1HB PHE 101 1HB PHE 101 26.799 25.173 8.237 879 2HB PHE 101 2HB PHE 101 26.819 23.592 7.500 880 HD1 PHE 101 HD1 PHE 101 25.458 23.483 10.770 881 HD2 PHE 101 HD2 PHE 101 24.470 24.367 6.698 882 HE1 PHE 101 HE1 PHE 101 23.084 23.108 11.280 883 HE2 PHE 101 HE2 PHE 101 22.066 23.988 7.203 884 HZ PHE 101 HZ PHE 101 21.371 23.356 9.505 885 H PHE 102 H PHE 102 26.032 21.753 10.615 886 HA PHE 102 HA PHE 102 27.313 19.652 8.924 887 1HB PHE 102 1HB PHE 102 27.191 19.857 11.872 888 2HB PHE 102 2HB PHE 102 26.836 18.264 11.195 889 HD1 PHE 102 HD2 PHE 102 28.463 17.296 9.472 890 HD2 PHE 102 HD1 PHE 102 29.400 20.656 11.982 891 HE1 PHE 102 HE2 PHE 102 30.886 16.964 9.021 892 HE2 PHE 102 HE1 PHE 102 31.810 20.338 11.537 893 HZ PHE 102 HZ PHE 102 32.562 18.480 10.040 894 H LEU 103 H LEU 103 25.712 18.824 7.707 895 HA LEU 103 HA LEU 103 22.925 18.813 8.633 896 1HB LEU 103 1HB LEU 103 23.706 17.634 6.009 897 2HB LEU 103 2HB LEU 103 22.381 18.738 6.393 898 HG LEU 103 HG LEU 103 25.312 19.444 6.098 899 1HD1 LEU 103 3HD1 LEU 103 23.009 19.596 4.384 900 2HD1 LEU 103 1HD1 LEU 103 23.629 21.216 4.711 901 3HD1 LEU 103 2HD1 LEU 103 24.689 19.989 4.024 902 1HD2 LEU 103 1HD2 LEU 103 23.342 20.562 7.852 903 2HD2 LEU 103 2HD2 LEU 103 24.998 21.098 7.582 904 3HD2 LEU 103 3HD2 LEU 103 23.693 21.739 6.580 905 H TRP 104 H TRP 104 24.575 17.360 10.075 906 HA TRP 104 HA TRP 104 25.374 14.855 9.620 907 1HB TRP 104 1HB TRP 104 25.474 15.749 11.873 908 2HB TRP 104 2HB TRP 104 23.708 15.645 12.027 909 HD1 TRP 104 HD1 TRP 104 23.691 13.724 13.884 910 HE1 TRP 104 HE1 TRP 104 24.184 11.192 13.733 911 HE3 TRP 104 HE3 TRP 104 26.214 13.582 9.433 912 HZ2 TRP 104 HZ2 TRP 104 25.630 9.378 11.890 913 HZ3 TRP 104 HZ3 TRP 104 27.075 11.540 8.535 914 HH2 TRP 104 HH2 TRP 104 26.794 9.414 9.752 915 H ALA 105 H ALA 105 24.041 14.030 7.857 916 HA ALA 105 HA ALA 105 21.357 13.041 8.548 917 1HB ALA 105 3HB ALA 105 23.011 13.115 6.027 918 2HB ALA 105 1HB ALA 105 21.624 12.032 6.143 919 3HB ALA 105 2HB ALA 105 21.400 13.775 6.304 920 HA PRO 106 HA PRO 106 23.565 9.411 9.914 921 1HB PRO 106 1HB PRO 106 21.398 8.234 11.095 922 2HB PRO 106 2HB PRO 106 22.334 9.539 11.845 923 1HG PRO 106 1HG PRO 106 19.655 9.643 10.589 924 2HG PRO 106 2HG PRO 106 20.317 10.661 11.869 925 1HD PRO 106 1HD PRO 106 20.096 11.385 9.135 926 2HD PRO 106 2HD PRO 106 21.079 12.231 10.352 927 H GLU 107 H GLU 107 21.464 9.711 7.445 928 HA GLU 107 HA GLU 107 20.829 8.319 5.668 929 1HB GLU 107 1HB GLU 107 23.352 7.492 6.471 930 2HB GLU 107 2HB GLU 107 22.418 5.996 6.444 931 1HG GLU 107 1HG GLU 107 21.603 6.629 4.149 932 2HG GLU 107 2HG GLU 107 22.730 7.987 4.181 933 H LEU 108 H LEU 108 20.236 7.395 8.892 934 HA LEU 108 HA LEU 108 18.324 5.305 7.966 935 1HB LEU 108 1HB LEU 108 19.238 3.766 9.322 936 2HB LEU 108 2HB LEU 108 20.638 4.838 9.393 937 HG LEU 108 HG LEU 108 19.263 6.051 11.258 938 1HD1 LEU 108 1HD1 LEU 108 17.471 4.130 10.497 939 2HD1 LEU 108 2HD1 LEU 108 18.183 3.418 11.952 940 3HD1 LEU 108 3HD1 LEU 108 17.421 5.011 12.029 941 1HD2 LEU 108 2HD2 LEU 108 21.405 4.661 11.427 942 2HD2 LEU 108 3HD2 LEU 108 20.428 4.775 12.890 943 3HD2 LEU 108 1HD2 LEU 108 20.367 3.315 11.900 944 H ALA 109 H ALA 109 18.979 8.042 9.965 945 HA ALA 109 HA ALA 109 17.301 8.102 12.072 946 1HB ALA 109 1HB ALA 109 18.030 10.129 10.057 947 2HB ALA 109 2HB ALA 109 16.557 10.492 10.948 948 3HB ALA 109 3HB ALA 109 18.074 10.226 11.822 949 HA PRO 110 HA PRO 110 13.146 7.530 11.008 950 1HB PRO 110 1HB PRO 110 11.900 9.580 12.393 951 2HB PRO 110 2HB PRO 110 12.501 8.089 13.134 952 1HG PRO 110 1HG PRO 110 13.688 10.827 13.203 953 2HG PRO 110 2HG PRO 110 13.823 9.519 14.383 954 1HD PRO 110 1HD PRO 110 15.821 10.225 12.542 955 2HD PRO 110 2HD PRO 110 15.722 8.671 13.395 956 H LEU 111 H LEU 111 12.216 7.908 9.112 957 HA LEU 111 HA LEU 111 12.775 9.554 7.097 958 1HB LEU 111 1HB LEU 111 10.042 8.722 8.044 959 2HB LEU 111 2HB LEU 111 10.251 9.649 6.558 960 HG LEU 111 HG LEU 111 12.192 7.657 6.383 961 1HD1 LEU 111 1HD1 LEU 111 10.953 6.574 8.323 962 2HD1 LEU 111 2HD1 LEU 111 9.577 6.392 7.237 963 3HD1 LEU 111 3HD1 LEU 111 11.099 5.577 6.876 964 1HD2 LEU 111 1HD2 LEU 111 9.480 8.144 5.189 965 2HD2 LEU 111 2HD2 LEU 111 11.066 8.247 4.427 966 3HD2 LEU 111 3HD2 LEU 111 10.355 6.671 4.770 967 H LYS 112 H LYS 112 10.926 10.751 9.898 968 HA LYS 112 HA LYS 112 10.076 13.191 8.796 969 1HB LYS 112 1HB LYS 112 10.508 14.085 11.212 970 2HB LYS 112 2HB LYS 112 9.315 12.808 10.979 971 1HG LYS 112 1HG LYS 112 10.493 11.428 12.312 972 2HG LYS 112 2HG LYS 112 11.922 11.626 11.296 973 1HD LYS 112 1HD LYS 112 11.365 13.981 12.948 974 2HD LYS 112 2HD LYS 112 11.669 12.532 13.904 975 1HE LYS 112 1HE LYS 112 13.679 12.256 12.148 976 2HE LYS 112 2HE LYS 112 13.495 14.007 12.061 977 1HZ LYS 112 1HZ LYS 112 13.448 12.904 14.736 978 2HZ LYS 112 2HZ LYS 112 14.936 12.758 13.929 979 3HZ LYS 112 3HZ LYS 112 14.235 14.288 14.141 980 H SER 113 H SER 113 13.222 12.647 10.460 981 HA SER 113 HA SER 113 14.171 15.302 9.811 982 1HB SER 113 1HB SER 113 15.480 14.675 11.535 983 2HB SER 113 2HB SER 113 15.158 12.965 11.258 984 HG SER 113 HG SER 113 17.130 12.947 10.516 985 H LYS 114 H LYS 114 14.392 12.161 8.301 986 HA LYS 114 HA LYS 114 16.516 12.863 6.467 987 1HB LYS 114 1HB LYS 114 14.450 10.798 5.804 988 2HB LYS 114 2HB LYS 114 16.196 10.750 5.559 989 1HG LYS 114 1HG LYS 114 15.762 10.981 8.374 990 2HG LYS 114 2HG LYS 114 14.679 9.723 7.778 991 1HD LYS 114 1HD LYS 114 16.698 8.578 8.223 992 2HD LYS 114 2HD LYS 114 16.735 8.842 6.479 993 1HE LYS 114 1HE LYS 114 17.851 11.076 8.026 994 2HE LYS 114 2HE LYS 114 18.741 9.566 8.229 995 1HZ LYS 114 2HZ LYS 114 18.560 9.429 5.687 996 2HZ LYS 114 3HZ LYS 114 18.222 11.092 5.761 997 3HZ LYS 114 1HZ LYS 114 19.695 10.498 6.359 998 H MET 115 H MET 115 13.141 13.441 6.621 999 HA MET 115 HA MET 115 13.069 14.396 3.777 1000 1HB MET 115 1HB MET 115 10.685 14.213 5.584 1001 2HB MET 115 2HB MET 115 10.750 14.087 3.819 1002 1HG MET 115 1HG MET 115 12.316 11.976 5.088 1003 2HG MET 115 2HG MET 115 10.636 11.941 5.616 1004 1HE MET 115 3HE MET 115 9.102 13.150 3.637 1005 2HE MET 115 1HE MET 115 8.782 12.182 2.201 1006 3HE MET 115 2HE MET 115 8.497 11.504 3.809 1007 H ILE 116 H ILE 116 13.271 15.412 7.015 1008 HA ILE 116 HA ILE 116 11.660 17.760 6.653 1009 HB ILE 116 HB ILE 116 13.201 16.368 8.743 1010 1HG1 ILE 116 1HG1 ILE 116 10.504 16.842 8.173 1011 2HG1 ILE 116 2HG1 ILE 116 11.135 16.174 9.674 1012 1HG2 ILE 116 3HG2 ILE 116 12.873 19.321 8.609 1013 2HG2 ILE 116 1HG2 ILE 116 12.953 18.491 10.167 1014 3HG2 ILE 116 2HG2 ILE 116 14.280 18.347 9.021 1015 1HD1 ILE 116 2HD1 ILE 116 11.387 18.511 10.546 1016 2HD1 ILE 116 3HD1 ILE 116 10.594 19.094 9.080 1017 3HD1 ILE 116 1HD1 ILE 116 9.721 18.059 10.207 1018 H TYR 117 H TYR 117 14.927 16.964 7.414 1019 HA TYR 117 HA TYR 117 16.040 19.558 7.416 1020 1HB TYR 117 1HB TYR 117 17.164 16.817 6.961 1021 2HB TYR 117 2HB TYR 117 18.176 18.264 7.192 1022 HD1 TYR 117 HD1 TYR 117 16.449 19.716 9.174 1023 HD2 TYR 117 HD2 TYR 117 17.581 15.578 8.944 1024 HE1 TYR 117 HE1 TYR 117 16.060 19.472 11.601 1025 HE2 TYR 117 HE2 TYR 117 17.215 15.353 11.394 1026 HH TYR 117 HH TYR 117 16.119 16.358 13.174 1027 H ALA 118 H ALA 118 15.267 17.314 4.971 1028 HA ALA 118 HA ALA 118 16.750 18.129 2.750 1029 1HB ALA 118 1HB ALA 118 14.293 16.792 3.371 1030 2HB ALA 118 2HB ALA 118 14.012 17.897 2.019 1031 3HB ALA 118 3HB ALA 118 15.261 16.654 1.897 1032 H SER 119 H SER 119 13.865 19.511 4.254 1033 HA SER 119 HA SER 119 14.181 21.974 2.593 1034 1HB SER 119 1HB SER 119 11.979 20.642 2.628 1035 2HB SER 119 2HB SER 119 11.795 21.232 4.278 1036 HG SER 119 HG SER 119 11.431 23.186 3.545 1037 H SER 120 H SER 120 14.924 20.773 5.624 1038 HA SER 120 HA SER 120 14.222 23.164 7.179 1039 1HB SER 120 1HB SER 120 14.665 20.737 8.101 1040 2HB SER 120 2HB SER 120 16.352 21.246 8.079 1041 HG SER 120 HG SER 120 14.444 22.975 9.160 1042 H LYS 121 H LYS 121 16.850 22.097 5.234 1043 HA LYS 121 HA LYS 121 18.690 24.133 6.217 1044 1HB LYS 121 1HB LYS 121 18.807 21.881 4.407 1045 2HB LYS 121 2HB LYS 121 19.619 23.322 3.778 1046 1HG LYS 121 1HG LYS 121 21.102 23.443 5.556 1047 2HG LYS 121 2HG LYS 121 20.028 22.568 6.657 1048 1HD LYS 121 1HD LYS 121 22.112 21.319 5.676 1049 2HD LYS 121 2HD LYS 121 20.566 20.483 5.698 1050 1HE LYS 121 1HE LYS 121 20.878 22.089 3.280 1051 2HE LYS 121 2HE LYS 121 22.150 20.898 3.433 1052 1HZ LYS 121 3HZ LYS 121 19.329 20.170 3.877 1053 2HZ LYS 121 1HZ LYS 121 19.998 20.189 2.316 1054 3HZ LYS 121 2HZ LYS 121 20.638 19.159 3.504 1055 H ASP 122 H ASP 122 17.264 25.653 6.001 1056 HA ASP 122 HA ASP 122 17.474 27.524 3.909 1057 1HB ASP 122 1HB ASP 122 15.796 25.583 3.038 1058 2HB ASP 122 2HB ASP 122 14.657 26.536 3.996 1059 H ALA 123 H ALA 123 15.549 25.991 6.350 1060 HA ALA 123 HA ALA 123 14.518 28.499 7.490 1061 1HB ALA 123 2HB ALA 123 13.601 26.019 7.641 1062 2HB ALA 123 3HB ALA 123 14.751 25.899 8.978 1063 3HB ALA 123 1HB ALA 123 13.448 27.092 9.038 1064 H ILE 124 H ILE 124 16.864 26.000 8.331 1065 HA ILE 124 HA ILE 124 18.074 27.393 10.526 1066 HB ILE 124 HB ILE 124 18.260 24.986 10.326 1067 1HG1 ILE 124 1HG1 ILE 124 20.995 26.017 9.769 1068 2HG1 ILE 124 2HG1 ILE 124 20.113 26.673 11.142 1069 1HG2 ILE 124 3HG2 ILE 124 18.381 25.191 7.721 1070 2HG2 ILE 124 1HG2 ILE 124 20.118 25.380 7.997 1071 3HG2 ILE 124 2HG2 ILE 124 19.294 23.908 8.514 1072 1HD1 ILE 124 3HD1 ILE 124 20.109 23.731 10.813 1073 2HD1 ILE 124 1HD1 ILE 124 21.633 24.482 11.315 1074 3HD1 ILE 124 2HD1 ILE 124 20.167 24.705 12.310 1075 H LYS 125 H LYS 125 18.899 26.881 7.110 1076 HA LYS 125 HA LYS 125 21.430 28.194 7.225 1077 1HB LYS 125 1HB LYS 125 21.463 27.097 5.280 1078 2HB LYS 125 2HB LYS 125 19.713 26.921 5.309 1079 1HG LYS 125 1HG LYS 125 19.633 29.363 4.482 1080 2HG LYS 125 2HG LYS 125 21.343 29.138 4.088 1081 1HD LYS 125 1HD LYS 125 19.039 27.433 3.145 1082 2HD LYS 125 2HD LYS 125 19.968 28.554 2.147 1083 1HE LYS 125 1HE LYS 125 21.952 27.002 3.218 1084 2HE LYS 125 2HE LYS 125 20.639 25.831 3.078 1085 1HZ LYS 125 1HZ LYS 125 21.463 27.621 0.860 1086 2HZ LYS 125 2HZ LYS 125 22.086 26.055 1.068 1087 3HZ LYS 125 3HZ LYS 125 20.429 26.273 0.779 1088 H LYS 126 H LYS 126 18.163 29.344 6.561 1089 HA LYS 126 HA LYS 126 18.965 32.004 5.747 1090 1HB LYS 126 1HB LYS 126 16.398 30.750 6.674 1091 2HB LYS 126 2HB LYS 126 16.520 32.508 6.611 1092 1HG LYS 126 1HG LYS 126 17.655 31.503 4.203 1093 2HG LYS 126 2HG LYS 126 16.111 30.681 4.437 1094 1HD LYS 126 1HD LYS 126 16.247 33.637 4.903 1095 2HD LYS 126 2HD LYS 126 16.203 33.045 3.242 1096 1HE LYS 126 1HE LYS 126 14.247 31.527 4.437 1097 2HE LYS 126 2HE LYS 126 14.080 33.068 5.280 1098 1HZ LYS 126 2HZ LYS 126 14.394 33.859 2.740 1099 2HZ LYS 126 3HZ LYS 126 13.545 32.404 2.520 1100 3HZ LYS 126 1HZ LYS 126 12.890 33.636 3.490 1101 H LYS 127 H LYS 127 19.008 30.369 8.709 1102 HA LYS 127 HA LYS 127 19.047 32.890 10.288 1103 1HB LYS 127 1HB LYS 127 18.763 29.979 11.109 1104 2HB LYS 127 2HB LYS 127 19.007 31.289 12.263 1105 1HG LYS 127 1HG LYS 127 16.661 30.882 10.396 1106 2HG LYS 127 2HG LYS 127 16.645 30.949 12.158 1107 1HD LYS 127 1HD LYS 127 16.037 33.119 11.809 1108 2HD LYS 127 2HD LYS 127 17.773 33.353 11.595 1109 1HE LYS 127 1HE LYS 127 17.406 34.019 9.483 1110 2HE LYS 127 2HE LYS 127 16.738 32.429 9.111 1111 1HZ LYS 127 3HZ LYS 127 14.682 33.500 10.369 1112 2HZ LYS 127 1HZ LYS 127 15.371 34.920 9.749 1113 3HZ LYS 127 2HZ LYS 127 14.916 33.668 8.694 1114 H PHE 128 H PHE 128 20.853 30.290 8.972 1115 HA PHE 128 HA PHE 128 23.277 30.801 10.600 1116 1HB PHE 128 1HB PHE 128 22.527 28.852 8.453 1117 2HB PHE 128 2HB PHE 128 24.216 29.120 8.890 1118 HD1 PHE 128 HD2 PHE 128 22.220 29.956 11.635 1119 HD2 PHE 128 HD1 PHE 128 23.776 26.529 9.524 1120 HE1 PHE 128 HE2 PHE 128 21.976 28.606 13.659 1121 HE2 PHE 128 HE1 PHE 128 23.501 25.176 11.604 1122 HZ PHE 128 HZ PHE 128 22.597 26.206 13.661 1123 H GLN 129 H GLN 129 22.288 32.952 9.296 1124 HA GLN 129 HA GLN 129 22.901 33.920 6.891 1125 1HB GLN 129 1HB GLN 129 24.278 35.244 9.226 1126 2HB GLN 129 2HB GLN 129 23.538 36.011 7.823 1127 1HG GLN 129 1HG GLN 129 21.930 34.419 9.831 1128 2HG GLN 129 2HG GLN 129 22.227 36.142 10.014 1129 1HE2 GLN 129 2HE2 GLN 129 19.912 34.943 6.824 1130 2HE2 GLN 129 1HE2 GLN 129 21.105 33.889 7.413 1131 H GLY 130 H GLY 130 25.366 33.025 9.264 1132 1HA GLY 130 1HA GLY 130 27.355 32.840 7.041 1133 2HA GLY 130 2HA GLY 130 27.801 33.499 8.620 1134 H ILE 131 H ILE 131 26.349 30.531 7.185 1135 HA ILE 131 HA ILE 131 26.750 28.882 9.422 1136 HB ILE 131 HB ILE 131 25.983 28.573 6.677 1137 1HG1 ILE 131 1HG1 ILE 131 24.504 27.578 8.150 1138 2HG1 ILE 131 2HG1 ILE 131 25.434 26.198 7.557 1139 1HG2 ILE 131 2HG2 ILE 131 28.282 27.693 6.441 1140 2HG2 ILE 131 3HG2 ILE 131 27.878 26.498 7.697 1141 3HG2 ILE 131 1HG2 ILE 131 27.027 26.482 6.155 1142 1HD1 ILE 131 3HD1 ILE 131 27.061 26.710 9.484 1143 2HD1 ILE 131 1HD1 ILE 131 25.694 27.661 10.162 1144 3HD1 ILE 131 2HD1 ILE 131 25.506 25.919 9.873 1145 H LYS 132 H LYS 132 28.762 29.936 6.879 1146 HA LYS 132 HA LYS 132 31.117 30.024 6.761 1147 1HB LYS 132 1HB LYS 132 31.369 28.075 9.033 1148 2HB LYS 132 2HB LYS 132 32.502 29.317 8.509 1149 1HG LYS 132 1HG LYS 132 29.949 29.651 10.054 1150 2HG LYS 132 2HG LYS 132 31.564 30.194 10.483 1151 1HD LYS 132 1HD LYS 132 30.025 31.271 8.109 1152 2HD LYS 132 2HD LYS 132 30.033 32.037 9.692 1153 1HE LYS 132 1HE LYS 132 32.479 32.273 9.583 1154 2HE LYS 132 2HE LYS 132 32.492 31.485 8.005 1155 1HZ LYS 132 2HZ LYS 132 30.715 33.371 7.538 1156 2HZ LYS 132 3HZ LYS 132 31.609 34.166 8.741 1157 3HZ LYS 132 1HZ LYS 132 32.382 33.624 7.328 1158 H HIS 133 H HIS 133 29.625 26.934 7.797 1159 HA HIS 133 HA HIS 133 30.684 25.866 5.203 1160 1HB HIS 133 1HB HIS 133 31.681 25.083 7.837 1161 2HB HIS 133 2HB HIS 133 31.311 23.750 6.737 1162 HD1 HIS 133 HD1 HIS 133 32.052 24.924 4.048 1163 HD2 HIS 133 HD2 HIS 133 34.373 25.468 7.450 1164 HE1 HIS 133 HE1 HIS 133 34.377 25.520 3.235 1165 H GLU 134 H GLU 134 28.461 25.570 4.533 1166 HA GLU 134 HA GLU 134 26.745 23.797 6.008 1167 1HB GLU 134 1HB GLU 134 25.376 24.764 4.569 1168 2HB GLU 134 2HB GLU 134 26.665 25.155 3.439 1169 1HG GLU 134 1HG GLU 134 25.886 22.294 3.674 1170 2HG GLU 134 2HG GLU 134 24.737 23.367 2.885 1171 H CYS 135 H CYS 135 27.530 21.879 6.426 1172 HA CYS 135 HA CYS 135 28.791 20.286 4.212 1173 1HB CYS 135 1HB CYS 135 30.390 21.100 6.045 1174 2HB CYS 135 2HB CYS 135 29.545 19.986 7.126 1175 HG CYS 135 HG CYS 135 31.216 18.379 6.192 1176 H GLN 136 H GLN 136 27.128 18.852 3.709 1177 HA GLN 136 HA GLN 136 25.544 17.630 5.868 1178 1HB GLN 136 1HB GLN 136 24.515 18.206 3.662 1179 2HB GLN 136 2HB GLN 136 25.543 16.993 2.907 1180 1HG GLN 136 1HG GLN 136 24.285 15.272 3.682 1181 2HG GLN 136 2HG GLN 136 24.075 16.025 5.261 1182 1HE2 GLN 136 2HE2 GLN 136 20.833 17.104 4.513 1183 2HE2 GLN 136 1HE2 GLN 136 21.991 16.714 5.688 1184 H ALA 137 H ALA 137 25.425 15.343 6.214 1185 HA ALA 137 HA ALA 137 27.548 13.649 5.075 1186 1HB ALA 137 2HB ALA 137 27.289 14.234 8.029 1187 2HB ALA 137 3HB ALA 137 28.166 12.847 7.386 1188 3HB ALA 137 1HB ALA 137 28.710 14.482 7.009 1189 H ASN 138 H ASN 138 26.369 12.014 4.324 1190 HA ASN 138 HA ASN 138 24.030 11.113 5.936 1191 1HB ASN 138 1HB ASN 138 24.790 10.617 3.063 1192 2HB ASN 138 2HB ASN 138 23.473 9.771 3.883 1193 1HD2 ASN 138 2HD2 ASN 138 22.891 13.862 3.742 1194 2HD2 ASN 138 1HD2 ASN 138 24.380 13.256 4.270 1195 H GLY 139 H GLY 139 26.410 10.716 6.918 1196 1HA GLY 139 1HA GLY 139 26.659 8.137 7.789 1197 2HA GLY 139 2HA GLY 139 27.691 8.216 6.337 1198 HA PRO 140 HA PRO 140 29.265 10.833 9.979 1199 1HB PRO 140 1HB PRO 140 30.907 9.010 11.290 1200 2HB PRO 140 2HB PRO 140 29.255 9.421 11.787 1201 1HG PRO 140 1HG PRO 140 30.242 6.997 10.338 1202 2HG PRO 140 2HG PRO 140 28.886 7.155 11.469 1203 1HD PRO 140 1HD PRO 140 28.596 7.022 8.687 1204 2HD PRO 140 2HD PRO 140 27.389 7.731 9.778 1205 H GLU 141 H GLU 141 30.237 8.948 7.389 1206 HA GLU 141 HA GLU 141 33.127 9.445 7.428 1207 1HB GLU 141 1HB GLU 141 33.055 7.668 6.060 1208 2HB GLU 141 2HB GLU 141 31.286 7.734 6.031 1209 1HG GLU 141 1HG GLU 141 31.350 9.442 4.294 1210 2HG GLU 141 2HG GLU 141 33.114 9.449 4.341 1211 H ASP 142 H ASP 142 30.250 11.104 6.262 1212 HA ASP 142 HA ASP 142 31.654 12.587 4.192 1213 1HB ASP 142 1HB ASP 142 29.004 12.457 5.240 1214 2HB ASP 142 2HB ASP 142 29.545 14.132 5.378 1215 H LEU 143 H LEU 143 31.492 12.575 7.593 1216 HA LEU 143 HA LEU 143 32.568 15.258 8.058 1217 1HB LEU 143 1HB LEU 143 32.178 12.886 9.886 1218 2HB LEU 143 2HB LEU 143 32.621 14.516 10.402 1219 HG LEU 143 HG LEU 143 30.417 14.977 8.825 1220 1HD1 LEU 143 3HD1 LEU 143 30.150 12.431 8.810 1221 2HD1 LEU 143 1HD1 LEU 143 29.760 12.562 10.525 1222 3HD1 LEU 143 2HD1 LEU 143 28.740 13.357 9.326 1223 1HD2 LEU 143 1HD2 LEU 143 30.994 15.918 11.056 1224 2HD2 LEU 143 2HD2 LEU 143 29.297 15.455 10.933 1225 3HD2 LEU 143 3HD2 LEU 143 30.433 14.421 11.802 1226 H ASN 144 H ASN 144 33.656 12.551 6.798 1227 HA ASN 144 HA ASN 144 35.666 11.204 7.365 1228 1HB ASN 144 1HB ASN 144 35.196 11.840 5.074 1229 2HB ASN 144 2HB ASN 144 35.948 13.414 5.358 1230 1HD2 ASN 144 2HD2 ASN 144 38.696 10.549 5.938 1231 2HD2 ASN 144 1HD2 ASN 144 37.267 10.576 6.862 1232 H ARG 145 H ARG 145 36.143 14.710 7.355 1233 HA ARG 145 HA ARG 145 37.548 15.872 8.943 1234 1HB ARG 145 1HB ARG 145 38.173 13.373 9.722 1235 2HB ARG 145 2HB ARG 145 39.633 13.803 8.860 1236 1HG ARG 145 1HG ARG 145 38.622 15.904 10.665 1237 2HG ARG 145 2HG ARG 145 39.135 14.430 11.490 1238 1HD ARG 145 1HD ARG 145 41.110 14.899 9.547 1239 2HD ARG 145 2HD ARG 145 40.767 16.481 10.250 1240 HE ARG 145 HE ARG 145 41.215 15.430 12.494 1241 1HH1 ARG 145 1HH2 ARG 145 41.412 12.812 10.537 1242 2HH1 ARG 145 2HH2 ARG 145 43.052 12.394 10.903 1243 1HH2 ARG 145 1HH1 ARG 145 43.714 15.362 12.567 1244 2HH2 ARG 145 2HH1 ARG 145 44.356 13.838 12.054 1245 H ALA 146 H ALA 146 38.940 13.651 6.581 1246 HA ALA 146 HA ALA 146 40.892 15.527 5.550 1247 1HB ALA 146 1HB ALA 146 40.707 12.923 5.212 1248 2HB ALA 146 2HB ALA 146 39.559 13.356 3.936 1249 3HB ALA 146 3HB ALA 146 41.238 13.917 3.853 1250 H CYS 147 H CYS 147 37.599 14.573 5.103 1251 HA CYS 147 HA CYS 147 37.032 16.330 2.818 1252 1HB CYS 147 1HB CYS 147 35.895 14.121 3.665 1253 2HB CYS 147 2HB CYS 147 34.982 15.262 4.677 1254 HG CYS 147 HG CYS 147 34.664 14.912 1.648 1255 H ILE 148 H ILE 148 36.662 16.347 6.330 1256 HA ILE 148 HA ILE 148 35.258 18.853 6.256 1257 HB ILE 148 HB ILE 148 36.787 17.346 8.373 1258 1HG1 ILE 148 1HG1 ILE 148 34.918 16.109 8.395 1259 2HG1 ILE 148 2HG1 ILE 148 34.081 17.517 9.040 1260 1HG2 ILE 148 1HG2 ILE 148 36.352 19.987 8.329 1261 2HG2 ILE 148 2HG2 ILE 148 34.894 19.424 9.153 1262 3HG2 ILE 148 3HG2 ILE 148 36.489 19.032 9.796 1263 1HD1 ILE 148 1HD1 ILE 148 33.615 18.234 6.684 1264 2HD1 ILE 148 2HD1 ILE 148 34.381 16.740 6.124 1265 3HD1 ILE 148 3HD1 ILE 148 32.901 16.670 7.080 1266 H ALA 149 H ALA 149 38.279 17.631 5.701 1267 HA ALA 149 HA ALA 149 39.841 20.148 5.967 1268 1HB ALA 149 1HB ALA 149 40.406 17.261 5.498 1269 2HB ALA 149 2HB ALA 149 41.542 18.449 4.872 1270 3HB ALA 149 3HB ALA 149 41.190 18.376 6.599 1271 H GLU 150 H GLU 150 37.612 19.705 4.317 1272 HA GLU 150 HA GLU 150 38.624 20.362 1.646 1273 1HB GLU 150 1HB GLU 150 37.381 18.772 0.686 1274 2HB GLU 150 2HB GLU 150 37.107 18.089 2.286 1275 1HG GLU 150 1HG GLU 150 35.100 19.439 2.567 1276 2HG GLU 150 2HG GLU 150 35.408 20.279 1.048 1277 H LYS 151 H LYS 151 36.128 20.563 4.173 1278 HA LYS 151 HA LYS 151 34.578 22.706 3.149 1279 1HB LYS 151 1HB LYS 151 35.361 21.650 5.847 1280 2HB LYS 151 2HB LYS 151 34.717 23.286 5.785 1281 1HG LYS 151 1HG LYS 151 33.116 21.249 6.119 1282 2HG LYS 151 2HG LYS 151 32.633 22.602 5.108 1283 1HD LYS 151 1HD LYS 151 34.083 20.676 3.517 1284 2HD LYS 151 2HD LYS 151 32.788 19.868 4.389 1285 1HE LYS 151 1HE LYS 151 31.191 21.578 3.570 1286 2HE LYS 151 2HE LYS 151 32.491 22.337 2.652 1287 1HZ LYS 151 1HZ LYS 151 32.799 20.222 1.478 1288 2HZ LYS 151 2HZ LYS 151 31.475 19.569 2.313 1289 3HZ LYS 151 3HZ LYS 151 31.245 20.868 1.241 1290 H LEU 152 H LEU 152 37.512 22.590 5.166 1291 HA LEU 152 HA LEU 152 38.176 25.362 4.329 1292 1HB LEU 152 1HB LEU 152 39.969 23.910 6.212 1293 2HB LEU 152 2HB LEU 152 39.466 25.590 6.228 1294 HG LEU 152 HG LEU 152 38.448 24.693 8.112 1295 1HD1 LEU 152 2HD1 LEU 152 36.889 25.651 6.157 1296 2HD1 LEU 152 3HD1 LEU 152 36.156 24.069 6.394 1297 3HD1 LEU 152 1HD1 LEU 152 36.278 25.189 7.746 1298 1HD2 LEU 152 2HD2 LEU 152 38.628 22.238 6.671 1299 2HD2 LEU 152 3HD2 LEU 152 38.335 22.484 8.394 1300 3HD2 LEU 152 1HD2 LEU 152 36.979 22.433 7.266 1301 H GLY 153 H GLY 153 39.199 21.950 4.142 1302 1HA GLY 153 1HA GLY 153 41.722 22.694 2.812 1303 2HA GLY 153 2HA GLY 153 41.207 21.083 3.236 1304 H GLY 154 H GLY 154 38.869 22.916 1.825 1305 1HA GLY 154 1HA GLY 154 39.307 21.639 -0.847 1306 2HA GLY 154 2HA GLY 154 37.703 22.028 -0.198 1307 H SER 155 H SER 155 40.301 24.140 0.497 1308 HA SER 155 HA SER 155 39.691 25.993 -1.699 1309 1HB SER 155 1HB SER 155 38.310 26.150 0.741 1310 2HB SER 155 2HB SER 155 39.531 27.414 0.814 1311 HG SER 155 HG SER 155 37.495 27.000 -1.101 1312 H LEU 156 H LEU 156 41.057 26.694 1.513 1313 HA LEU 156 HA LEU 156 43.808 26.697 0.435 1314 1HB LEU 156 1HB LEU 156 42.815 29.235 1.657 1315 2HB LEU 156 2HB LEU 156 44.173 28.985 0.571 1316 HG LEU 156 HG LEU 156 42.342 28.256 -1.125 1317 1HD1 LEU 156 3HD1 LEU 156 40.732 28.879 1.068 1318 2HD1 LEU 156 1HD1 LEU 156 40.514 30.214 -0.064 1319 3HD1 LEU 156 2HD1 LEU 156 40.199 28.554 -0.586 1320 1HD2 LEU 156 3HD2 LEU 156 43.758 30.567 -0.696 1321 2HD2 LEU 156 1HD2 LEU 156 42.756 30.256 -2.112 1322 3HD2 LEU 156 2HD2 LEU 156 42.095 31.156 -0.745 1323 H ILE 157 H ILE 157 43.544 25.017 2.511 1324 HA ILE 157 HA ILE 157 44.192 26.784 4.782 1325 HB ILE 157 HB ILE 157 43.676 24.851 6.264 1326 1HG1 ILE 157 1HG1 ILE 157 42.480 23.731 3.732 1327 2HG1 ILE 157 2HG1 ILE 157 43.912 23.065 4.552 1328 1HG2 ILE 157 1HG2 ILE 157 41.940 26.606 4.825 1329 2HG2 ILE 157 2HG2 ILE 157 41.129 25.065 5.064 1330 3HG2 ILE 157 3HG2 ILE 157 41.742 25.947 6.448 1331 1HD1 ILE 157 3HD1 ILE 157 42.133 23.427 6.592 1332 2HD1 ILE 157 1HD1 ILE 157 41.105 22.876 5.256 1333 3HD1 ILE 157 2HD1 ILE 157 42.464 21.887 5.784 1334 H VAL 158 H VAL 158 45.308 24.214 6.054 1335 HA VAL 158 HA VAL 158 47.698 23.649 4.536 1336 HB VAL 158 HB VAL 158 47.693 25.707 6.699 1337 1HG1 VAL 158 2HG1 VAL 158 49.925 23.732 6.151 1338 2HG1 VAL 158 3HG1 VAL 158 50.136 25.231 7.054 1339 3HG1 VAL 158 1HG1 VAL 158 49.070 23.972 7.675 1340 1HG2 VAL 158 3HG2 VAL 158 48.988 25.258 4.019 1341 2HG2 VAL 158 1HG2 VAL 158 48.008 26.618 4.560 1342 3HG2 VAL 158 2HG2 VAL 158 49.662 26.438 5.145 1343 H ALA 159 H ALA 159 45.754 23.403 7.360 1344 HA ALA 159 HA ALA 159 46.981 20.814 8.054 1345 1HB ALA 159 2HB ALA 159 47.685 22.577 9.692 1346 2HB ALA 159 3HB ALA 159 45.979 22.883 10.012 1347 3HB ALA 159 1HB ALA 159 46.683 21.318 10.409 1348 H PHE 160 H PHE 160 45.515 19.344 8.791 1349 HA PHE 160 HA PHE 160 43.326 18.480 9.239 1350 1HB PHE 160 1HB PHE 160 42.676 21.118 9.377 1351 2HB PHE 160 2HB PHE 160 41.963 20.714 7.812 1352 HD1 PHE 160 HD1 PHE 160 42.174 19.495 11.343 1353 HD2 PHE 160 HD2 PHE 160 39.907 19.647 7.713 1354 HE1 PHE 160 HE1 PHE 160 40.290 18.344 12.474 1355 HE2 PHE 160 HE2 PHE 160 38.038 18.513 8.831 1356 HZ PHE 160 HZ PHE 160 38.208 17.852 11.213 1357 H GLU 161 H GLU 161 44.058 20.471 6.457 1358 HA GLU 161 HA GLU 161 43.452 18.226 4.620 1359 1HB GLU 161 1HB GLU 161 42.463 20.682 4.400 1360 2HB GLU 161 2HB GLU 161 44.047 21.033 3.712 1361 1HG GLU 161 1HG GLU 161 42.270 18.763 2.767 1362 2HG GLU 161 2HG GLU 161 42.306 20.352 2.009 1363 H GLY 162 H GLY 162 45.919 20.005 6.258 1364 1HA GLY 162 1HA GLY 162 47.904 19.036 4.227 1365 2HA GLY 162 2HA GLY 162 48.114 20.528 5.119 1366 H CYS 163 H CYS 163 48.523 20.299 7.524 1367 HA CYS 163 HA CYS 163 50.538 18.396 7.998 1368 1HB CYS 163 1HB CYS 163 50.789 20.299 9.253 1369 2HB CYS 163 2HB CYS 163 49.108 20.318 9.760 1370 HG CYS 163 HG CYS 163 50.470 19.416 11.788 1371 HA PRO 164 HA PRO 164 47.889 15.766 10.885 1372 1HB PRO 164 1HB PRO 164 45.283 16.546 11.315 1373 2HB PRO 164 2HB PRO 164 46.642 17.001 12.359 1374 1HG PRO 164 1HG PRO 164 45.209 18.623 10.304 1375 2HG PRO 164 2HG PRO 164 45.996 19.155 11.795 1376 1HD PRO 164 1HD PRO 164 47.166 19.447 9.265 1377 2HD PRO 164 2HD PRO 164 48.053 19.383 10.790 1378 H VAL 165 H VAL 165 45.969 17.294 8.286 1379 HA VAL 165 HA VAL 165 45.703 14.610 7.062 1380 HB VAL 165 HB VAL 165 43.067 15.513 6.815 1381 1HG1 VAL 165 3HG1 VAL 165 44.287 13.190 7.311 1382 2HG1 VAL 165 1HG1 VAL 165 43.746 13.546 8.951 1383 3HG1 VAL 165 2HG1 VAL 165 42.571 13.429 7.641 1384 1HG2 VAL 165 3HG2 VAL 165 43.979 16.864 9.015 1385 2HG2 VAL 165 1HG2 VAL 165 42.308 16.346 8.808 1386 3HG2 VAL 165 2HG2 VAL 165 43.428 15.366 9.756 No H/Q in entry = 1386 Start of MODEL 19 1 1H THR -8 3H THR -8 -11.403 26.413 6.714 2 2H THR -8 1H THR -8 -12.794 27.120 6.050 3 3H THR -8 2H THR -8 -11.268 27.800 5.742 4 HA THR -8 HA THR -8 -11.311 29.006 7.588 5 HB THR -8 HB THR -8 -13.492 29.441 8.525 6 HG1 THR -8 HG1 THR -8 -14.541 27.679 8.981 7 1HG2 THR -8 3HG2 THR -8 -13.157 28.974 5.641 8 2HG2 THR -8 1HG2 THR -8 -14.839 29.022 6.169 9 3HG2 THR -8 2HG2 THR -8 -13.775 30.392 6.488 10 H MET -7 H MET -7 -9.962 26.712 8.128 11 HA MET -7 HA MET -7 -10.723 26.208 10.956 12 1HB MET -7 1HB MET -7 -11.109 24.310 8.923 13 2HB MET -7 2HB MET -7 -9.620 23.814 9.729 14 1HG MET -7 1HG MET -7 -11.937 24.637 11.434 15 2HG MET -7 2HG MET -7 -11.994 23.054 10.661 16 1HE MET -7 2HE MET -7 -12.395 22.726 13.161 17 2HE MET -7 3HE MET -7 -11.120 22.201 14.257 18 3HE MET -7 1HE MET -7 -11.533 23.916 14.134 19 H ILE -6 H ILE -6 -8.869 25.435 12.239 20 HA ILE -6 HA ILE -6 -6.251 26.079 10.943 21 HB ILE -6 HB ILE -6 -5.521 27.166 12.951 22 1HG1 ILE -6 1HG1 ILE -6 -8.132 26.197 14.164 23 2HG1 ILE -6 2HG1 ILE -6 -6.521 25.596 14.561 24 1HG2 ILE -6 1HG2 ILE -6 -7.718 28.053 11.452 25 2HG2 ILE -6 2HG2 ILE -6 -8.170 28.350 13.130 26 3HG2 ILE -6 3HG2 ILE -6 -6.683 29.041 12.481 27 1HD1 ILE -6 3HD1 ILE -6 -6.172 28.278 14.929 28 2HD1 ILE -6 1HD1 ILE -6 -7.861 28.093 15.403 29 3HD1 ILE -6 2HD1 ILE -6 -6.609 27.156 16.218 30 H THR -5 H THR -5 -4.704 24.529 11.186 31 HA THR -5 HA THR -5 -4.352 22.839 13.424 32 HB THR -5 HB THR -5 -5.237 20.828 11.622 33 HG1 THR -5 HG1 THR -5 -7.543 22.069 12.213 34 1HG2 THR -5 2HG2 THR -5 -5.541 21.668 14.368 35 2HG2 THR -5 3HG2 THR -5 -7.087 21.102 13.734 36 3HG2 THR -5 1HG2 THR -5 -5.674 20.048 13.683 37 HA PRO -4 HA PRO -4 -1.795 21.144 9.762 38 1HB PRO -4 1HB PRO -4 -2.476 21.971 7.227 39 2HB PRO -4 2HB PRO -4 -3.146 20.523 7.999 40 1HG PRO -4 1HG PRO -4 -4.436 23.166 7.523 41 2HG PRO -4 2HG PRO -4 -5.183 21.570 7.702 42 1HD PRO -4 1HD PRO -4 -5.072 23.581 9.688 43 2HD PRO -4 2HD PRO -4 -5.519 21.883 9.942 44 H SER -3 H SER -3 -0.814 23.136 11.065 45 HA SER -3 HA SER -3 -0.028 25.285 9.143 46 1HB SER -3 1HB SER -3 0.104 26.765 10.914 47 2HB SER -3 2HB SER -3 -1.122 25.676 11.556 48 HG SER -3 HG SER -3 0.283 25.534 13.135 49 H SER -2 H SER -2 1.114 22.597 10.983 50 HA SER -2 HA SER -2 3.869 23.330 11.248 51 1HB SER -2 1HB SER -2 2.868 20.516 10.785 52 2HB SER -2 2HB SER -2 4.276 21.028 11.710 53 HG SER -2 HG SER -2 2.780 20.733 13.239 54 H GLY -1 H GLY -1 5.653 22.814 9.875 55 1HA GLY -1 1HA GLY -1 4.864 22.224 7.050 56 2HA GLY -1 2HA GLY -1 6.166 23.337 7.470 57 H ASN 0 H ASN 0 6.500 21.037 9.734 58 HA ASN 0 HA ASN 0 8.806 19.873 8.470 59 1HB ASN 0 1HB ASN 0 9.272 19.147 10.554 60 2HB ASN 0 2HB ASN 0 7.814 19.994 11.073 61 1HD2 ASN 0 2HD2 ASN 0 7.863 15.945 11.052 62 2HD2 ASN 0 1HD2 ASN 0 9.234 16.851 10.622 63 H SER 1 H SER 1 5.423 19.007 8.554 64 HA SER 1 HA SER 1 5.409 16.267 8.023 65 1HB SER 1 1HB SER 1 3.639 18.473 7.510 66 2HB SER 1 2HB SER 1 3.715 17.479 6.059 67 HG SER 1 HG SER 1 3.492 15.684 7.725 68 H ALA 2 H ALA 2 6.455 18.917 6.009 69 HA ALA 2 HA ALA 2 7.809 17.007 4.202 70 1HB ALA 2 3HB ALA 2 5.476 17.802 3.294 71 2HB ALA 2 1HB ALA 2 6.310 19.327 2.998 72 3HB ALA 2 2HB ALA 2 6.873 17.847 2.219 73 H SER 3 H SER 3 9.238 18.187 5.978 74 HA SER 3 HA SER 3 10.993 19.659 6.397 75 1HB SER 3 1HB SER 3 11.506 20.995 4.036 76 2HB SER 3 2HB SER 3 12.267 19.501 4.555 77 HG SER 3 HG SER 3 10.920 19.792 2.415 78 H GLY 4 H GLY 4 10.187 21.177 7.699 79 1HA GLY 4 1HA GLY 4 9.602 23.806 6.607 80 2HA GLY 4 2HA GLY 4 8.184 23.037 7.329 81 H VAL 5 H VAL 5 11.378 22.323 8.516 82 HA VAL 5 HA VAL 5 10.960 22.634 11.203 83 HB VAL 5 HB VAL 5 13.431 23.837 10.044 84 1HG1 VAL 5 1HG1 VAL 5 12.689 23.219 12.580 85 2HG1 VAL 5 2HG1 VAL 5 13.642 21.818 12.121 86 3HG1 VAL 5 3HG1 VAL 5 14.347 23.429 12.033 87 1HG2 VAL 5 2HG2 VAL 5 12.447 21.037 9.740 88 2HG2 VAL 5 3HG2 VAL 5 13.476 21.981 8.660 89 3HG2 VAL 5 1HG2 VAL 5 14.158 21.256 10.116 90 H GLN 6 H GLN 6 11.210 24.320 12.660 91 HA GLN 6 HA GLN 6 10.891 27.010 11.493 92 1HB GLN 6 1HB GLN 6 9.963 27.168 14.120 93 2HB GLN 6 2HB GLN 6 9.001 27.201 12.649 94 1HG GLN 6 1HG GLN 6 9.934 24.583 13.699 95 2HG GLN 6 2HG GLN 6 8.562 25.361 14.475 96 1HE2 GLN 6 2HE2 GLN 6 7.981 23.444 11.014 97 2HE2 GLN 6 1HE2 GLN 6 9.390 23.291 11.945 98 H VAL 7 H VAL 7 13.235 25.235 12.687 99 HA VAL 7 HA VAL 7 15.147 25.632 14.020 100 HB VAL 7 HB VAL 7 16.148 26.941 12.560 101 1HG1 VAL 7 1HG1 VAL 7 13.921 27.217 11.392 102 2HG1 VAL 7 2HG1 VAL 7 13.700 28.702 12.319 103 3HG1 VAL 7 3HG1 VAL 7 15.032 28.572 11.172 104 1HG2 VAL 7 1HG2 VAL 7 16.301 28.216 14.770 105 2HG2 VAL 7 2HG2 VAL 7 16.612 29.167 13.315 106 3HG2 VAL 7 3HG2 VAL 7 15.052 29.287 14.125 107 H ALA 8 H ALA 8 15.163 25.508 15.922 108 HA ALA 8 HA ALA 8 13.655 26.825 17.907 109 1HB ALA 8 2HB ALA 8 15.995 25.103 17.672 110 2HB ALA 8 3HB ALA 8 16.270 26.328 18.917 111 3HB ALA 8 1HB ALA 8 14.881 25.245 19.033 112 H ASP 9 H ASP 9 14.075 28.952 18.910 113 HA ASP 9 HA ASP 9 15.626 30.757 17.266 114 1HB ASP 9 1HB ASP 9 14.691 31.107 20.122 115 2HB ASP 9 2HB ASP 9 15.400 32.370 19.113 116 H GLU 10 H GLU 10 16.301 28.643 19.900 117 HA GLU 10 HA GLU 10 18.721 29.859 20.820 118 1HB GLU 10 1HB GLU 10 18.182 28.231 22.329 119 2HB GLU 10 2HB GLU 10 17.348 27.255 21.122 120 1HG GLU 10 1HG GLU 10 19.272 25.995 21.805 121 2HG GLU 10 2HG GLU 10 19.646 26.635 20.207 122 H VAL 11 H VAL 11 17.907 28.280 17.870 123 HA VAL 11 HA VAL 11 20.505 27.213 17.415 124 HB VAL 11 HB VAL 11 18.174 26.815 16.113 125 1HG1 VAL 11 1HG1 VAL 11 18.364 29.068 15.068 126 2HG1 VAL 11 2HG1 VAL 11 19.862 28.547 14.298 127 3HG1 VAL 11 3HG1 VAL 11 18.337 27.762 13.884 128 1HG2 VAL 11 3HG2 VAL 11 20.266 25.404 16.136 129 2HG2 VAL 11 1HG2 VAL 11 19.476 25.474 14.561 130 3HG2 VAL 11 2HG2 VAL 11 20.911 26.445 14.862 131 H CYS 12 H CYS 12 19.151 30.363 17.197 132 HA CYS 12 HA CYS 12 21.351 31.346 15.467 133 1HB CYS 12 1HB CYS 12 18.878 32.295 15.827 134 2HB CYS 12 2HB CYS 12 19.663 33.165 17.144 135 HG CYS 12 HG CYS 12 21.267 34.276 15.412 136 H ARG 13 H ARG 13 21.488 30.067 18.345 137 HA ARG 13 HA ARG 13 23.372 32.110 19.464 138 1HB ARG 13 1HB ARG 13 21.626 30.098 20.936 139 2HB ARG 13 2HB ARG 13 22.895 31.058 21.699 140 1HG ARG 13 1HG ARG 13 20.554 32.252 20.187 141 2HG ARG 13 2HG ARG 13 20.590 32.048 21.939 142 1HD ARG 13 1HD ARG 13 22.994 33.292 21.483 143 2HD ARG 13 2HD ARG 13 21.974 34.030 20.248 144 HE ARG 13 HE ARG 13 20.600 34.967 21.989 145 1HH1 ARG 13 1HH1 ARG 13 19.930 34.057 24.245 146 2HH1 ARG 13 2HH1 ARG 13 21.225 34.131 25.392 147 1HH2 ARG 13 1HH2 ARG 13 23.683 34.592 22.994 148 2HH2 ARG 13 2HH2 ARG 13 23.346 34.432 24.685 149 H ILE 14 H ILE 14 23.437 29.769 17.539 150 HA ILE 14 HA ILE 14 25.489 28.142 18.926 151 HB ILE 14 HB ILE 14 24.046 27.540 16.364 152 1HG1 ILE 14 1HG1 ILE 14 23.276 26.290 18.966 153 2HG1 ILE 14 2HG1 ILE 14 22.522 27.799 18.413 154 1HG2 ILE 14 2HG2 ILE 14 26.186 26.369 17.002 155 2HG2 ILE 14 3HG2 ILE 14 25.300 25.682 18.366 156 3HG2 ILE 14 1HG2 ILE 14 24.785 25.294 16.715 157 1HD1 ILE 14 2HD1 ILE 14 22.803 25.328 16.702 158 2HD1 ILE 14 3HD1 ILE 14 21.340 25.743 17.595 159 3HD1 ILE 14 1HD1 ILE 14 21.927 26.806 16.315 160 H PHE 15 H PHE 15 24.557 29.307 15.726 161 HA PHE 15 HA PHE 15 27.246 29.339 14.641 162 1HB PHE 15 1HB PHE 15 25.919 29.784 12.813 163 2HB PHE 15 2HB PHE 15 24.559 30.253 13.852 164 HD1 PHE 15 HD2 PHE 15 27.621 31.455 12.151 165 HD2 PHE 15 HD1 PHE 15 24.216 32.534 14.531 166 HE1 PHE 15 HE2 PHE 15 28.067 33.858 11.702 167 HE2 PHE 15 HE1 PHE 15 24.656 34.929 14.087 168 HZ PHE 15 HZ PHE 15 26.583 35.596 12.672 169 H TYR 16 H TYR 16 25.048 31.443 16.264 170 HA TYR 16 HA TYR 16 26.365 33.897 16.497 171 1HB TYR 16 1HB TYR 16 24.354 34.057 17.580 172 2HB TYR 16 2HB TYR 16 24.325 32.305 17.882 173 HD1 TYR 16 HD1 TYR 16 25.775 31.375 19.748 174 HD2 TYR 16 HD2 TYR 16 24.943 35.555 19.329 175 HE1 TYR 16 HE1 TYR 16 26.432 31.713 22.092 176 HE2 TYR 16 HE2 TYR 16 25.596 35.918 21.695 177 HH TYR 16 HH TYR 16 25.642 34.323 23.860 178 H ASP 17 H ASP 17 26.921 30.800 18.041 179 HA ASP 17 HA ASP 17 28.617 32.024 20.098 180 1HB ASP 17 1HB ASP 17 26.978 29.901 20.170 181 2HB ASP 17 2HB ASP 17 28.473 29.064 19.769 182 H MET 18 H MET 18 30.187 29.304 19.775 183 HA MET 18 HA MET 18 32.282 28.778 18.910 184 1HB MET 18 1HB MET 18 30.726 29.844 16.670 185 2HB MET 18 2HB MET 18 32.457 29.538 16.438 186 1HG MET 18 1HG MET 18 31.444 27.447 16.010 187 2HG MET 18 2HG MET 18 32.033 27.317 17.648 188 1HE MET 18 3HE MET 18 30.460 25.401 16.784 189 2HE MET 18 1HE MET 18 30.474 25.483 18.546 190 3HE MET 18 2HE MET 18 28.955 25.220 17.683 191 H LYS 19 H LYS 19 32.086 31.535 16.848 192 HA LYS 19 HA LYS 19 32.894 33.769 17.171 193 1HB LYS 19 1HB LYS 19 34.671 32.476 19.230 194 2HB LYS 19 2HB LYS 19 34.880 34.115 18.634 195 1HG LYS 19 1HG LYS 19 32.320 33.087 19.881 196 2HG LYS 19 2HG LYS 19 33.529 34.044 20.738 197 1HD LYS 19 1HD LYS 19 33.253 35.676 18.679 198 2HD LYS 19 2HD LYS 19 31.696 34.868 18.508 199 1HE LYS 19 1HE LYS 19 30.875 35.727 20.483 200 2HE LYS 19 2HE LYS 19 32.471 35.810 21.234 201 1HZ LYS 19 2HZ LYS 19 32.883 37.571 19.385 202 2HZ LYS 19 3HZ LYS 19 31.189 37.693 19.377 203 3HZ LYS 19 1HZ LYS 19 32.053 38.009 20.801 204 H VAL 20 H VAL 20 33.760 34.134 15.361 205 HA VAL 20 HA VAL 20 35.180 32.579 13.658 206 HB VAL 20 HB VAL 20 34.553 34.570 12.715 207 1HG1 VAL 20 1HG1 VAL 20 35.142 35.550 15.413 208 2HG1 VAL 20 2HG1 VAL 20 35.632 36.691 14.159 209 3HG1 VAL 20 3HG1 VAL 20 33.961 36.133 14.240 210 1HG2 VAL 20 2HG2 VAL 20 37.118 34.025 12.457 211 2HG2 VAL 20 3HG2 VAL 20 36.490 35.566 11.873 212 3HG2 VAL 20 1HG2 VAL 20 37.324 35.486 13.424 213 H ARG 21 H ARG 21 36.951 35.036 15.475 214 HA ARG 21 HA ARG 21 39.329 33.298 15.158 215 1HB ARG 21 1HB ARG 21 38.868 36.157 14.998 216 2HB ARG 21 2HB ARG 21 40.246 35.763 16.031 217 1HG ARG 21 1HG ARG 21 41.496 35.127 14.265 218 2HG ARG 21 2HG ARG 21 40.199 34.111 13.637 219 1HD ARG 21 1HD ARG 21 40.722 35.873 12.024 220 2HD ARG 21 2HD ARG 21 39.108 36.125 12.685 221 HE ARG 21 HE ARG 21 39.885 38.162 13.557 222 1HH1 ARG 21 1HH2 ARG 21 42.487 36.391 12.262 223 2HH1 ARG 21 2HH2 ARG 21 43.714 37.333 13.041 224 1HH2 ARG 21 1HH1 ARG 21 41.477 39.194 14.921 225 2HH2 ARG 21 2HH1 ARG 21 43.145 38.912 14.545 226 H LYS 22 H LYS 22 37.343 34.408 17.839 227 HA LYS 22 HA LYS 22 39.229 33.012 19.590 228 1HB LYS 22 1HB LYS 22 39.432 35.211 21.038 229 2HB LYS 22 2HB LYS 22 40.536 34.903 19.698 230 1HG LYS 22 1HG LYS 22 39.672 37.198 19.569 231 2HG LYS 22 2HG LYS 22 39.077 36.250 18.206 232 1HD LYS 22 1HD LYS 22 36.943 35.886 19.351 233 2HD LYS 22 2HD LYS 22 37.536 36.750 20.769 234 1HE LYS 22 1HE LYS 22 36.299 38.394 19.625 235 2HE LYS 22 2HE LYS 22 37.957 38.719 19.123 236 1HZ LYS 22 3HZ LYS 22 37.186 36.917 17.301 237 2HZ LYS 22 1HZ LYS 22 35.720 37.730 17.580 238 3HZ LYS 22 2HZ LYS 22 37.087 38.598 17.079 239 H CYS 23 H CYS 23 38.713 33.402 21.946 240 HA CYS 23 HA CYS 23 35.766 33.225 22.412 241 1HB CYS 23 1HB CYS 23 37.603 32.438 24.555 242 2HB CYS 23 2HB CYS 23 36.213 31.568 23.890 243 HG CYS 23 HG CYS 23 39.131 31.338 22.863 244 H SER 24 H SER 24 34.898 35.151 23.198 245 HA SER 24 HA SER 24 36.001 37.491 24.027 246 1HB SER 24 1HB SER 24 33.547 36.247 24.586 247 2HB SER 24 2HB SER 24 34.205 36.633 26.180 248 HG SER 24 HG SER 24 32.935 38.317 25.081 249 H THR 25 H THR 25 35.183 35.241 26.468 250 HA THR 25 HA THR 25 37.914 35.335 27.567 251 HB THR 25 HB THR 25 36.060 36.682 28.906 252 HG1 THR 25 HG1 THR 25 38.000 34.881 29.747 253 1HG2 THR 25 1HG2 THR 25 34.456 34.830 28.655 254 2HG2 THR 25 2HG2 THR 25 35.524 33.830 29.661 255 3HG2 THR 25 3HG2 THR 25 34.745 35.259 30.352 256 HA PRO 26 HA PRO 26 36.726 31.302 26.097 257 1HB PRO 26 1HB PRO 26 39.266 30.222 26.543 258 2HB PRO 26 2HB PRO 26 38.821 31.167 25.120 259 1HG PRO 26 1HG PRO 26 40.408 31.973 27.520 260 2HG PRO 26 2HG PRO 26 40.519 32.558 25.849 261 1HD PRO 26 1HD PRO 26 39.228 33.940 27.927 262 2HD PRO 26 2HD PRO 26 38.928 34.199 26.198 263 H GLU 27 H GLU 27 37.573 32.321 29.218 264 HA GLU 27 HA GLU 27 37.806 29.924 30.713 265 1HB GLU 27 1HB GLU 27 37.391 32.726 31.189 266 2HB GLU 27 2HB GLU 27 36.242 31.810 32.162 267 1HG GLU 27 1HG GLU 27 38.108 30.434 33.043 268 2HG GLU 27 2HG GLU 27 39.244 31.394 32.092 269 H GLU 28 H GLU 28 35.210 31.150 28.848 270 HA GLU 28 HA GLU 28 33.434 29.115 29.885 271 1HB GLU 28 1HB GLU 28 31.637 30.701 30.203 272 2HB GLU 28 2HB GLU 28 33.024 31.337 31.081 273 1HG GLU 28 1HG GLU 28 33.579 32.838 29.216 274 2HG GLU 28 2HG GLU 28 32.280 32.143 28.249 275 H ILE 29 H ILE 29 34.501 31.367 27.406 276 HA ILE 29 HA ILE 29 32.632 30.032 25.746 277 HB ILE 29 HB ILE 29 32.634 31.953 24.184 278 1HG1 ILE 29 1HG1 ILE 29 33.207 34.071 25.248 279 2HG1 ILE 29 2HG1 ILE 29 33.677 33.247 26.739 280 1HG2 ILE 29 1HG2 ILE 29 31.597 31.076 26.702 281 2HG2 ILE 29 2HG2 ILE 29 31.510 32.849 26.663 282 3HG2 ILE 29 3HG2 ILE 29 30.705 31.908 25.395 283 1HD1 ILE 29 1HD1 ILE 29 35.408 32.061 25.427 284 2HD1 ILE 29 2HD1 ILE 29 34.986 33.074 24.063 285 3HD1 ILE 29 3HD1 ILE 29 35.662 33.795 25.511 286 H LYS 30 H LYS 30 33.935 28.652 26.182 287 HA LYS 30 HA LYS 30 34.972 27.602 23.701 288 1HB LYS 30 1HB LYS 30 36.332 26.693 26.200 289 2HB LYS 30 2HB LYS 30 36.923 26.617 24.544 290 1HG LYS 30 1HG LYS 30 37.405 28.968 24.562 291 2HG LYS 30 2HG LYS 30 36.641 29.140 26.147 292 1HD LYS 30 1HD LYS 30 38.650 28.667 27.093 293 2HD LYS 30 2HD LYS 30 38.498 27.043 26.431 294 1HE LYS 30 1HE LYS 30 39.697 27.616 24.452 295 2HE LYS 30 2HE LYS 30 39.591 29.341 24.798 296 1HZ LYS 30 2HZ LYS 30 40.781 28.368 27.009 297 2HZ LYS 30 3HZ LYS 30 41.443 27.377 25.798 298 3HZ LYS 30 1HZ LYS 30 41.598 29.066 25.699 299 H LYS 31 H LYS 31 33.964 27.379 27.079 300 HA LYS 31 HA LYS 31 32.772 24.684 26.521 301 1HB LYS 31 1HB LYS 31 34.506 25.218 28.480 302 2HB LYS 31 2HB LYS 31 33.042 25.767 29.296 303 1HG LYS 31 1HG LYS 31 32.164 23.653 29.435 304 2HG LYS 31 2HG LYS 31 32.868 23.150 27.897 305 1HD LYS 31 1HD LYS 31 34.536 23.637 30.374 306 2HD LYS 31 2HD LYS 31 33.874 22.053 29.962 307 1HE LYS 31 1HE LYS 31 35.627 21.718 28.595 308 2HE LYS 31 2HE LYS 31 35.063 23.059 27.598 309 1HZ LYS 31 1HZ LYS 31 36.218 24.487 29.398 310 2HZ LYS 31 2HZ LYS 31 37.074 23.060 29.747 311 3HZ LYS 31 3HZ LYS 31 37.161 23.743 28.196 312 H ARG 32 H ARG 32 31.770 27.471 25.961 313 HA ARG 32 HA ARG 32 29.481 27.779 27.785 314 1HB ARG 32 1HB ARG 32 30.903 29.404 25.977 315 2HB ARG 32 2HB ARG 32 29.286 29.236 25.304 316 1HG ARG 32 1HG ARG 32 29.407 31.184 26.823 317 2HG ARG 32 2HG ARG 32 28.309 29.957 27.455 318 1HD ARG 32 1HD ARG 32 30.495 29.090 28.674 319 2HD ARG 32 2HD ARG 32 31.041 30.752 28.440 320 HE ARG 32 HE ARG 32 29.233 31.492 29.878 321 1HH1 ARG 32 1HH2 ARG 32 27.283 29.307 29.070 322 2HH1 ARG 32 2HH2 ARG 32 27.177 28.388 30.536 323 1HH2 ARG 32 1HH1 ARG 32 30.023 29.792 31.930 324 2HH2 ARG 32 2HH1 ARG 32 28.726 28.664 32.156 325 H LYS 33 H LYS 33 30.052 25.481 25.724 326 HA LYS 33 HA LYS 33 28.712 24.020 24.465 327 1HB LYS 33 1HB LYS 33 26.935 24.074 26.055 328 2HB LYS 33 2HB LYS 33 26.575 25.766 25.731 329 1HG LYS 33 1HG LYS 33 25.924 25.045 23.371 330 2HG LYS 33 2HG LYS 33 26.014 23.382 23.957 331 1HD LYS 33 1HD LYS 33 24.006 23.561 24.958 332 2HD LYS 33 2HD LYS 33 24.515 25.017 25.812 333 1HE LYS 33 1HE LYS 33 23.871 25.259 22.903 334 2HE LYS 33 2HE LYS 33 22.532 25.084 24.036 335 1HZ LYS 33 1HZ LYS 33 24.394 26.931 25.061 336 2HZ LYS 33 2HZ LYS 33 23.988 27.380 23.473 337 3HZ LYS 33 3HZ LYS 33 22.769 27.184 24.635 338 H LYS 34 H LYS 34 29.744 24.717 22.658 339 HA LYS 34 HA LYS 34 28.291 26.745 21.049 340 1HB LYS 34 1HB LYS 34 31.146 26.008 20.477 341 2HB LYS 34 2HB LYS 34 30.322 27.545 20.237 342 1HG LYS 34 1HG LYS 34 30.404 26.846 23.067 343 2HG LYS 34 2HG LYS 34 32.017 26.880 22.379 344 1HD LYS 34 1HD LYS 34 30.811 29.128 21.304 345 2HD LYS 34 2HD LYS 34 30.205 29.086 22.952 346 1HE LYS 34 1HE LYS 34 32.247 30.311 23.050 347 2HE LYS 34 2HE LYS 34 32.633 28.704 23.667 348 1HZ LYS 34 1HZ LYS 34 32.903 28.704 20.873 349 2HZ LYS 34 2HZ LYS 34 33.770 30.024 21.492 350 3HZ LYS 34 3HZ LYS 34 34.101 28.455 22.052 351 H ALA 35 H ALA 35 30.431 23.875 20.735 352 HA ALA 35 HA ALA 35 29.535 23.188 18.141 353 1HB ALA 35 2HB ALA 35 31.589 22.273 19.172 354 2HB ALA 35 3HB ALA 35 30.583 21.394 20.314 355 3HB ALA 35 1HB ALA 35 30.506 21.003 18.596 356 H VAL 36 H VAL 36 27.893 21.825 17.606 357 HA VAL 36 HA VAL 36 26.177 20.640 19.712 358 HB VAL 36 HB VAL 36 24.343 22.196 18.894 359 1HG1 VAL 36 3HG1 VAL 36 25.650 22.337 21.153 360 2HG1 VAL 36 1HG1 VAL 36 26.438 23.724 20.402 361 3HG1 VAL 36 2HG1 VAL 36 24.691 23.719 20.638 362 1HG2 VAL 36 2HG2 VAL 36 26.338 22.928 17.182 363 2HG2 VAL 36 3HG2 VAL 36 24.836 23.794 17.466 364 3HG2 VAL 36 1HG2 VAL 36 26.291 24.252 18.344 365 H ILE 37 H ILE 37 24.178 19.841 18.951 366 HA ILE 37 HA ILE 37 23.750 19.679 16.063 367 HB ILE 37 HB ILE 37 22.751 17.285 16.769 368 1HG1 ILE 37 1HG1 ILE 37 24.503 18.018 18.972 369 2HG1 ILE 37 2HG1 ILE 37 23.591 16.536 18.749 370 1HG2 ILE 37 2HG2 ILE 37 24.206 18.004 14.939 371 2HG2 ILE 37 3HG2 ILE 37 25.588 18.018 16.075 372 3HG2 ILE 37 1HG2 ILE 37 24.785 16.488 15.666 373 1HD1 ILE 37 1HD1 ILE 37 26.242 17.012 17.363 374 2HD1 ILE 37 2HD1 ILE 37 26.151 16.284 18.959 375 3HD1 ILE 37 3HD1 ILE 37 25.395 15.473 17.583 376 H PHE 38 H PHE 38 21.495 19.606 15.525 377 HA PHE 38 HA PHE 38 19.672 20.165 17.807 378 1HB PHE 38 1HB PHE 38 20.263 21.808 15.365 379 2HB PHE 38 2HB PHE 38 18.677 21.920 16.132 380 HD1 PHE 38 HD1 PHE 38 18.417 22.756 18.381 381 HD2 PHE 38 HD2 PHE 38 22.348 22.659 16.580 382 HE1 PHE 38 HE1 PHE 38 19.304 24.210 20.178 383 HE2 PHE 38 HE2 PHE 38 23.185 24.073 18.379 384 HZ PHE 38 HZ PHE 38 21.692 24.848 20.191 385 H CYS 39 H CYS 39 17.651 18.936 17.629 386 HA CYS 39 HA CYS 39 17.147 17.946 14.844 387 1HB CYS 39 1HB CYS 39 16.548 15.716 15.776 388 2HB CYS 39 2HB CYS 39 18.242 16.146 16.003 389 HG CYS 39 HG CYS 39 16.444 16.889 18.385 390 H LEU 40 H LEU 40 15.425 19.714 14.994 391 HA LEU 40 HA LEU 40 13.169 20.293 15.131 392 1HB LEU 40 1HB LEU 40 13.301 17.363 14.633 393 2HB LEU 40 2HB LEU 40 11.764 18.203 14.679 394 HG LEU 40 HG LEU 40 12.182 19.401 12.793 395 1HD1 LEU 40 2HD1 LEU 40 14.129 20.583 13.759 396 2HD1 LEU 40 3HD1 LEU 40 15.142 19.200 13.303 397 3HD1 LEU 40 1HD1 LEU 40 14.366 20.165 12.052 398 1HD2 LEU 40 3HD2 LEU 40 13.680 16.832 12.674 399 2HD2 LEU 40 1HD2 LEU 40 12.288 17.361 11.729 400 3HD2 LEU 40 2HD2 LEU 40 13.899 17.958 11.333 401 H SER 41 H SER 41 11.829 20.935 16.618 402 HA SER 41 HA SER 41 11.869 20.250 19.334 403 1HB SER 41 1HB SER 41 9.797 21.569 17.595 404 2HB SER 41 2HB SER 41 9.545 21.358 19.324 405 HG SER 41 HG SER 41 10.522 23.371 18.812 406 H ALA 42 H ALA 42 9.242 19.763 20.157 407 HA ALA 42 HA ALA 42 9.038 16.908 19.925 408 1HB ALA 42 2HB ALA 42 8.102 18.486 21.774 409 2HB ALA 42 3HB ALA 42 6.715 18.664 20.700 410 3HB ALA 42 1HB ALA 42 7.151 17.072 21.320 411 H ASP 43 H ASP 43 7.687 15.641 18.621 412 HA ASP 43 HA ASP 43 6.199 15.145 16.851 413 1HB ASP 43 1HB ASP 43 5.187 17.549 17.813 414 2HB ASP 43 2HB ASP 43 5.508 17.893 16.113 415 H LYS 44 H LYS 44 8.903 17.083 16.826 416 HA LYS 44 HA LYS 44 10.542 17.358 15.270 417 1HB LYS 44 1HB LYS 44 8.960 15.257 14.159 418 2HB LYS 44 2HB LYS 44 9.426 16.355 12.857 419 1HG LYS 44 1HG LYS 44 11.107 14.523 13.324 420 2HG LYS 44 2HG LYS 44 11.758 16.157 13.419 421 1HD LYS 44 1HD LYS 44 12.529 15.576 15.464 422 2HD LYS 44 2HD LYS 44 10.855 15.684 16.007 423 1HE LYS 44 1HE LYS 44 10.539 13.389 15.940 424 2HE LYS 44 2HE LYS 44 11.767 13.154 14.695 425 1HZ LYS 44 2HZ LYS 44 12.405 14.026 17.455 426 2HZ LYS 44 3HZ LYS 44 12.399 12.398 16.977 427 3HZ LYS 44 1HZ LYS 44 13.485 13.489 16.257 428 H LYS 45 H LYS 45 10.620 19.444 15.069 429 HA LYS 45 HA LYS 45 9.310 20.699 12.773 430 1HB LYS 45 1HB LYS 45 8.653 21.108 15.647 431 2HB LYS 45 2HB LYS 45 8.611 22.528 14.576 432 1HG LYS 45 1HG LYS 45 7.107 21.221 13.039 433 2HG LYS 45 2HG LYS 45 7.065 19.941 14.253 434 1HD LYS 45 1HD LYS 45 6.510 22.386 15.600 435 2HD LYS 45 2HD LYS 45 5.499 22.349 14.155 436 1HE LYS 45 1HE LYS 45 4.271 20.570 14.898 437 2HE LYS 45 2HE LYS 45 5.658 19.805 15.671 438 1HZ LYS 45 3HZ LYS 45 5.514 21.590 17.390 439 2HZ LYS 45 1HZ LYS 45 4.041 22.069 16.699 440 3HZ LYS 45 2HZ LYS 45 4.196 20.519 17.375 441 H CYS 46 H CYS 46 10.209 22.846 15.255 442 HA CYS 46 HA CYS 46 12.274 24.247 13.968 443 1HB CYS 46 1HB CYS 46 11.688 23.755 16.905 444 2HB CYS 46 2HB CYS 46 12.984 24.831 16.359 445 HG CYS 46 HG CYS 46 10.782 26.244 16.711 446 H ILE 47 H ILE 47 14.467 24.106 13.968 447 HA ILE 47 HA ILE 47 15.955 21.757 14.516 448 HB ILE 47 HB ILE 47 16.368 24.375 13.623 449 1HG1 ILE 47 1HG1 ILE 47 18.911 23.460 13.738 450 2HG1 ILE 47 2HG1 ILE 47 17.994 21.953 13.910 451 1HG2 ILE 47 1HG2 ILE 47 16.726 24.794 16.152 452 2HG2 ILE 47 2HG2 ILE 47 18.317 24.098 15.845 453 3HG2 ILE 47 3HG2 ILE 47 17.779 25.521 14.954 454 1HD1 ILE 47 2HD1 ILE 47 16.511 23.089 12.004 455 2HD1 ILE 47 3HD1 ILE 47 18.042 23.908 11.646 456 3HD1 ILE 47 1HD1 ILE 47 17.965 22.129 11.627 457 H ILE 48 H ILE 48 16.921 21.257 16.821 458 HA ILE 48 HA ILE 48 15.684 23.011 18.902 459 HB ILE 48 HB ILE 48 14.212 21.272 17.671 460 1HG1 ILE 48 1HG1 ILE 48 14.221 22.420 20.249 461 2HG1 ILE 48 2HG1 ILE 48 12.836 21.726 19.413 462 1HG2 ILE 48 2HG2 ILE 48 15.848 19.450 17.956 463 2HG2 ILE 48 3HG2 ILE 48 15.629 19.536 19.697 464 3HG2 ILE 48 1HG2 ILE 48 14.291 19.053 18.670 465 1HD1 ILE 48 2HD1 ILE 48 14.830 20.096 20.988 466 2HD1 ILE 48 3HD1 ILE 48 13.301 20.676 21.665 467 3HD1 ILE 48 1HD1 ILE 48 13.297 19.540 20.311 468 H VAL 49 H VAL 49 18.046 20.832 18.145 469 HA VAL 49 HA VAL 49 19.527 19.459 19.401 470 HB VAL 49 HB VAL 49 20.490 21.642 19.905 471 1HG1 VAL 49 2HG1 VAL 49 18.425 22.698 20.763 472 2HG1 VAL 49 3HG1 VAL 49 18.500 21.675 22.196 473 3HG1 VAL 49 1HG1 VAL 49 19.754 22.885 21.909 474 1HG2 VAL 49 3HG2 VAL 49 20.625 19.311 21.531 475 2HG2 VAL 49 1HG2 VAL 49 21.852 20.570 21.352 476 3HG2 VAL 49 2HG2 VAL 49 20.641 20.696 22.626 477 H GLU 50 H GLU 50 17.094 18.444 19.746 478 HA GLU 50 HA GLU 50 16.494 18.260 22.622 479 1HB GLU 50 1HB GLU 50 14.877 17.999 20.364 480 2HB GLU 50 2HB GLU 50 15.120 16.337 20.901 481 1HG GLU 50 1HG GLU 50 14.542 17.193 23.257 482 2HG GLU 50 2HG GLU 50 13.940 18.643 22.454 483 H GLU 51 H GLU 51 18.520 17.438 23.176 484 HA GLU 51 HA GLU 51 18.649 14.560 23.083 485 1HB GLU 51 1HB GLU 51 20.451 14.473 21.470 486 2HB GLU 51 2HB GLU 51 19.102 15.416 20.820 487 1HG GLU 51 1HG GLU 51 20.455 17.407 21.997 488 2HG GLU 51 2HG GLU 51 21.806 16.353 21.569 489 H GLY 52 H GLY 52 21.712 15.157 22.920 490 1HA GLY 52 1HA GLY 52 22.390 16.672 25.259 491 2HA GLY 52 2HA GLY 52 22.330 14.949 25.648 492 H LYS 53 H LYS 53 23.299 16.484 22.619 493 HA LYS 53 HA LYS 53 25.892 15.056 22.780 494 1HB LYS 53 1HB LYS 53 24.946 16.545 20.362 495 2HB LYS 53 2HB LYS 53 25.862 15.051 20.447 496 1HG LYS 53 1HG LYS 53 23.367 14.483 21.636 497 2HG LYS 53 2HG LYS 53 23.005 15.428 20.188 498 1HD LYS 53 1HD LYS 53 23.148 12.975 19.716 499 2HD LYS 53 2HD LYS 53 24.351 13.902 18.808 500 1HE LYS 53 1HE LYS 53 26.112 13.088 20.081 501 2HE LYS 53 2HE LYS 53 25.134 12.971 21.541 502 1HZ LYS 53 2HZ LYS 53 24.104 11.194 19.642 503 2HZ LYS 53 3HZ LYS 53 25.782 10.942 19.742 504 3HZ LYS 53 1HZ LYS 53 24.827 10.840 21.139 505 H GLU 54 H GLU 54 26.456 17.326 20.583 506 HA GLU 54 HA GLU 54 27.257 19.527 20.557 507 1HB GLU 54 1HB GLU 54 26.348 20.935 22.036 508 2HB GLU 54 2HB GLU 54 25.589 19.539 22.797 509 1HG GLU 54 1HG GLU 54 27.602 19.241 24.221 510 2HG GLU 54 2HG GLU 54 28.335 20.670 23.481 511 H ILE 55 H ILE 55 29.314 20.136 20.590 512 HA ILE 55 HA ILE 55 31.219 18.730 22.380 513 HB ILE 55 HB ILE 55 31.222 19.560 19.659 514 1HG1 ILE 55 1HG1 ILE 55 33.316 18.278 21.377 515 2HG1 ILE 55 2HG1 ILE 55 32.003 17.407 20.537 516 1HG2 ILE 55 2HG2 ILE 55 32.361 21.595 20.704 517 2HG2 ILE 55 3HG2 ILE 55 33.632 20.482 21.203 518 3HG2 ILE 55 1HG2 ILE 55 33.262 20.698 19.503 519 1HD1 ILE 55 2HD1 ILE 55 32.958 19.113 18.637 520 2HD1 ILE 55 3HD1 ILE 55 34.433 18.604 19.461 521 3HD1 ILE 55 1HD1 ILE 55 33.363 17.408 18.743 522 H LEU 56 H LEU 56 32.852 20.242 23.374 523 HA LEU 56 HA LEU 56 31.643 22.944 23.784 524 1HB LEU 56 1HB LEU 56 33.292 21.308 25.728 525 2HB LEU 56 2HB LEU 56 32.700 22.946 26.017 526 HG LEU 56 HG LEU 56 31.121 21.434 27.028 527 1HD1 LEU 56 2HD1 LEU 56 30.367 23.411 25.560 528 2HD1 LEU 56 3HD1 LEU 56 29.952 22.197 24.350 529 3HD1 LEU 56 1HD1 LEU 56 29.151 22.186 25.926 530 1HD2 LEU 56 3HD2 LEU 56 31.933 19.704 25.000 531 2HD2 LEU 56 1HD2 LEU 56 30.618 19.397 26.139 532 3HD2 LEU 56 2HD2 LEU 56 30.273 20.104 24.557 533 H VAL 57 H VAL 57 33.372 22.482 21.656 534 HA VAL 57 HA VAL 57 35.534 23.005 20.816 535 HB VAL 57 HB VAL 57 35.134 25.113 20.227 536 1HG1 VAL 57 2HG1 VAL 57 32.875 24.516 21.361 537 2HG1 VAL 57 3HG1 VAL 57 33.399 25.632 22.626 538 3HG1 VAL 57 1HG1 VAL 57 33.208 26.200 20.968 539 1HG2 VAL 57 1HG2 VAL 57 36.874 25.629 22.070 540 2HG2 VAL 57 2HG2 VAL 57 35.861 26.955 21.508 541 3HG2 VAL 57 3HG2 VAL 57 35.494 26.157 23.028 542 H GLY 58 H GLY 58 35.662 24.765 23.974 543 1HA GLY 58 1HA GLY 58 38.419 24.464 24.369 544 2HA GLY 58 2HA GLY 58 37.251 24.528 25.694 545 H ASP 59 H ASP 59 35.776 22.162 24.847 546 HA ASP 59 HA ASP 59 37.142 20.106 26.218 547 1HB ASP 59 1HB ASP 59 34.764 20.295 24.453 548 2HB ASP 59 2HB ASP 59 35.551 18.716 24.464 549 H VAL 60 H VAL 60 36.757 20.730 22.737 550 HA VAL 60 HA VAL 60 38.283 18.726 21.590 551 HB VAL 60 HB VAL 60 38.754 21.613 20.805 552 1HG1 VAL 60 2HG1 VAL 60 39.215 19.007 19.653 553 2HG1 VAL 60 3HG1 VAL 60 38.123 19.927 18.624 554 3HG1 VAL 60 1HG1 VAL 60 39.706 20.584 19.039 555 1HG2 VAL 60 1HG2 VAL 60 36.275 19.923 20.333 556 2HG2 VAL 60 2HG2 VAL 60 36.349 21.453 21.202 557 3HG2 VAL 60 3HG2 VAL 60 36.631 21.414 19.464 558 H GLY 61 H GLY 61 39.951 17.948 22.791 559 1HA GLY 61 1HA GLY 61 42.434 18.109 22.961 560 2HA GLY 61 2HA GLY 61 42.219 19.805 23.403 561 H VAL 62 H VAL 62 39.918 17.597 24.547 562 HA VAL 62 HA VAL 62 41.144 17.268 27.221 563 HB VAL 62 HB VAL 62 38.385 18.332 26.509 564 1HG1 VAL 62 1HG1 VAL 62 39.506 17.562 29.214 565 2HG1 VAL 62 2HG1 VAL 62 37.952 18.348 28.932 566 3HG1 VAL 62 3HG1 VAL 62 38.230 16.709 28.340 567 1HG2 VAL 62 2HG2 VAL 62 40.885 19.552 27.139 568 2HG2 VAL 62 3HG2 VAL 62 39.346 20.323 26.784 569 3HG2 VAL 62 1HG2 VAL 62 39.748 19.893 28.449 570 H THR 63 H THR 63 37.804 16.582 26.459 571 HA THR 63 HA THR 63 38.214 13.716 26.663 572 HB THR 63 HB THR 63 35.891 15.404 25.697 573 HG1 THR 63 HG1 THR 63 36.582 14.177 28.137 574 1HG2 THR 63 2HG2 THR 63 36.267 12.444 25.994 575 2HG2 THR 63 3HG2 THR 63 34.666 13.158 26.181 576 3HG2 THR 63 1HG2 THR 63 35.543 13.346 24.662 577 H ILE 64 H ILE 64 38.578 16.181 24.350 578 HA ILE 64 HA ILE 64 38.645 14.200 22.127 579 HB ILE 64 HB ILE 64 38.357 16.771 21.027 580 1HG1 ILE 64 1HG1 ILE 64 36.706 16.391 23.537 581 2HG1 ILE 64 2HG1 ILE 64 37.591 17.822 23.018 582 1HG2 ILE 64 1HG2 ILE 64 37.369 14.472 20.434 583 2HG2 ILE 64 2HG2 ILE 64 36.099 14.850 21.615 584 3HG2 ILE 64 3HG2 ILE 64 36.328 15.872 20.187 585 1HD1 ILE 64 3HD1 ILE 64 35.967 17.735 20.955 586 2HD1 ILE 64 1HD1 ILE 64 34.969 16.742 22.019 587 3HD1 ILE 64 2HD1 ILE 64 35.384 18.394 22.484 588 H THR 65 H THR 65 40.154 15.609 20.267 589 HA THR 65 HA THR 65 42.458 16.673 21.810 590 HB THR 65 HB THR 65 43.900 15.118 20.252 591 HG1 THR 65 HG1 THR 65 42.791 13.130 19.972 592 1HG2 THR 65 3HG2 THR 65 42.658 14.831 22.888 593 2HG2 THR 65 1HG2 THR 65 43.161 13.291 22.190 594 3HG2 THR 65 2HG2 THR 65 44.335 14.590 22.409 595 H ASP 66 H ASP 66 40.743 18.137 20.092 596 HA ASP 66 HA ASP 66 41.503 20.044 18.860 597 1HB ASP 66 1HB ASP 66 43.827 19.042 19.011 598 2HB ASP 66 2HB ASP 66 43.491 18.325 17.431 599 HA PRO 67 HA PRO 67 40.114 18.184 14.777 600 1HB PRO 67 1HB PRO 67 39.305 15.552 14.772 601 2HB PRO 67 2HB PRO 67 40.973 16.045 14.453 602 1HG PRO 67 1HG PRO 67 39.845 14.730 16.851 603 2HG PRO 67 2HG PRO 67 41.524 14.789 16.286 604 1HD PRO 67 1HD PRO 67 40.313 16.384 18.347 605 2HD PRO 67 2HD PRO 67 41.976 16.484 17.727 606 H PHE 68 H PHE 68 37.835 16.361 14.538 607 HA PHE 68 HA PHE 68 35.945 17.279 16.598 608 1HB PHE 68 1HB PHE 68 34.764 18.715 15.313 609 2HB PHE 68 2HB PHE 68 36.252 18.788 14.369 610 HD1 PHE 68 HD1 PHE 68 36.507 16.525 12.863 611 HD2 PHE 68 HD2 PHE 68 32.865 18.477 14.001 612 HE1 PHE 68 HE1 PHE 68 35.388 15.528 10.931 613 HE2 PHE 68 HE2 PHE 68 31.715 17.480 12.049 614 HZ PHE 68 HZ PHE 68 32.961 16.011 10.502 615 H LYS 69 H LYS 69 36.949 14.970 14.336 616 HA LYS 69 HA LYS 69 34.607 13.585 13.641 617 1HB LYS 69 1HB LYS 69 36.056 11.475 13.882 618 2HB LYS 69 2HB LYS 69 36.649 12.709 12.769 619 1HG LYS 69 1HG LYS 69 38.589 12.445 13.946 620 2HG LYS 69 2HG LYS 69 37.809 13.552 15.073 621 1HD LYS 69 1HD LYS 69 36.787 11.048 15.759 622 2HD LYS 69 2HD LYS 69 38.496 10.751 15.435 623 1HE LYS 69 1HE LYS 69 39.193 12.343 17.048 624 2HE LYS 69 2HE LYS 69 37.586 13.061 17.145 625 1HZ LYS 69 3HZ LYS 69 37.793 10.226 17.775 626 2HZ LYS 69 1HZ LYS 69 38.479 11.300 18.900 627 3HZ LYS 69 2HZ LYS 69 36.838 11.433 18.494 628 H HIS 70 H HIS 70 36.104 14.073 16.749 629 HA HIS 70 HA HIS 70 34.852 11.925 18.162 630 1HB HIS 70 1HB HIS 70 36.071 12.965 19.752 631 2HB HIS 70 2HB HIS 70 36.088 14.480 18.843 632 HD1 HIS 70 HD1 HIS 70 33.841 12.493 21.158 633 HD2 HIS 70 HD2 HIS 70 34.207 16.354 19.696 634 HE1 HIS 70 HE1 HIS 70 32.153 13.914 22.375 635 H PHE 71 H PHE 71 33.844 15.253 17.499 636 HA PHE 71 HA PHE 71 31.247 15.093 18.598 637 1HB PHE 71 1HB PHE 71 31.695 17.308 18.127 638 2HB PHE 71 2HB PHE 71 32.728 16.898 16.761 639 HD1 PHE 71 HD1 PHE 71 31.604 16.172 14.578 640 HD2 PHE 71 HD2 PHE 71 29.502 18.023 17.826 641 HE1 PHE 71 HE1 PHE 71 29.754 16.777 13.044 642 HE2 PHE 71 HE2 PHE 71 27.655 18.615 16.313 643 HZ PHE 71 HZ PHE 71 27.775 17.996 13.907 644 H VAL 72 H VAL 72 32.528 14.029 15.456 645 HA VAL 72 HA VAL 72 29.958 13.672 14.222 646 HB VAL 72 HB VAL 72 31.083 12.457 12.589 647 1HG1 VAL 72 1HG1 VAL 72 33.029 14.401 13.768 648 2HG1 VAL 72 2HG1 VAL 72 33.143 13.752 12.131 649 3HG1 VAL 72 3HG1 VAL 72 31.767 14.752 12.597 650 1HG2 VAL 72 2HG2 VAL 72 32.460 11.224 14.681 651 2HG2 VAL 72 3HG2 VAL 72 32.546 10.826 12.971 652 3HG2 VAL 72 1HG2 VAL 72 33.685 11.979 13.663 653 H GLY 73 H GLY 73 31.850 12.047 16.498 654 1HA GLY 73 1HA GLY 73 30.485 9.504 16.585 655 2HA GLY 73 2HA GLY 73 31.449 10.194 17.904 656 H MET 74 H MET 74 30.072 12.723 18.071 657 HA MET 74 HA MET 74 27.800 12.082 19.747 658 1HB MET 74 1HB MET 74 28.640 14.657 18.404 659 2HB MET 74 2HB MET 74 27.345 14.528 19.584 660 1HG MET 74 1HG MET 74 29.070 13.482 21.155 661 2HG MET 74 2HG MET 74 30.292 14.034 20.006 662 1HE MET 74 3HE MET 74 29.252 16.336 18.754 663 2HE MET 74 1HE MET 74 29.657 17.765 19.708 664 3HE MET 74 2HE MET 74 30.875 16.498 19.478 665 H LEU 75 H LEU 75 28.331 12.162 16.443 666 HA LEU 75 HA LEU 75 25.484 12.620 15.815 667 1HB LEU 75 1HB LEU 75 27.866 12.322 13.955 668 2HB LEU 75 2HB LEU 75 26.271 12.890 13.523 669 HG LEU 75 HG LEU 75 28.414 14.289 15.052 670 1HD1 LEU 75 2HD1 LEU 75 26.988 14.542 12.568 671 2HD1 LEU 75 3HD1 LEU 75 26.694 15.979 13.547 672 3HD1 LEU 75 1HD1 LEU 75 28.339 15.497 13.159 673 1HD2 LEU 75 1HD2 LEU 75 25.436 14.616 15.417 674 2HD2 LEU 75 2HD2 LEU 75 26.683 14.495 16.656 675 3HD2 LEU 75 3HD2 LEU 75 26.553 15.954 15.681 676 HA PRO 76 HA PRO 76 26.074 7.974 15.631 677 1HB PRO 76 1HB PRO 76 23.664 7.380 16.831 678 2HB PRO 76 2HB PRO 76 25.181 7.605 17.717 679 1HG PRO 76 1HG PRO 76 22.872 9.484 17.433 680 2HG PRO 76 2HG PRO 76 23.993 9.281 18.787 681 1HD PRO 76 1HD PRO 76 24.158 11.358 16.936 682 2HD PRO 76 2HD PRO 76 25.502 10.773 17.929 683 H GLU 77 H GLU 77 23.518 6.599 15.168 684 HA GLU 77 HA GLU 77 22.948 7.783 12.490 685 1HB GLU 77 1HB GLU 77 22.151 5.000 13.235 686 2HB GLU 77 2HB GLU 77 22.687 5.632 11.676 687 1HG GLU 77 1HG GLU 77 24.978 5.805 12.478 688 2HG GLU 77 2HG GLU 77 24.480 5.326 14.102 689 H LYS 78 H LYS 78 21.485 7.121 15.543 690 HA LYS 78 HA LYS 78 18.760 7.061 14.407 691 1HB LYS 78 1HB LYS 78 18.089 6.223 16.433 692 2HB LYS 78 2HB LYS 78 19.804 5.825 16.575 693 1HG LYS 78 1HG LYS 78 18.482 8.347 17.612 694 2HG LYS 78 2HG LYS 78 19.019 6.991 18.594 695 1HD LYS 78 1HD LYS 78 20.950 8.414 16.763 696 2HD LYS 78 2HD LYS 78 20.607 9.043 18.374 697 1HE LYS 78 1HE LYS 78 21.539 6.218 17.791 698 2HE LYS 78 2HE LYS 78 22.577 7.523 18.365 699 1HZ LYS 78 3HZ LYS 78 20.453 7.544 20.076 700 2HZ LYS 78 1HZ LYS 78 20.745 5.889 19.825 701 3HZ LYS 78 2HZ LYS 78 21.988 6.892 20.396 702 H ASP 79 H ASP 79 20.897 9.458 14.985 703 HA ASP 79 HA ASP 79 18.691 11.365 15.517 704 1HB ASP 79 1HB ASP 79 19.937 12.506 17.209 705 2HB ASP 79 2HB ASP 79 20.016 10.789 17.611 706 H CYS 80 H CYS 80 18.697 12.275 13.491 707 HA CYS 80 HA CYS 80 21.089 12.746 11.978 708 1HB CYS 80 1HB CYS 80 19.487 14.515 10.827 709 2HB CYS 80 2HB CYS 80 19.228 12.793 10.586 710 HG CYS 80 HG CYS 80 17.572 14.459 12.662 711 H ARG 81 H ARG 81 19.166 15.574 12.495 712 HA ARG 81 HA ARG 81 19.487 17.432 13.884 713 1HB ARG 81 1HB ARG 81 22.201 16.408 14.674 714 2HB ARG 81 2HB ARG 81 21.152 17.525 15.547 715 1HG ARG 81 1HG ARG 81 19.630 15.180 15.177 716 2HG ARG 81 2HG ARG 81 21.231 14.636 15.666 717 1HD ARG 81 1HD ARG 81 21.161 16.023 17.648 718 2HD ARG 81 2HD ARG 81 19.645 16.759 17.127 719 HE ARG 81 HE ARG 81 18.641 14.433 17.329 720 1HH1 ARG 81 1HH1 ARG 81 21.829 14.587 18.506 721 2HH1 ARG 81 2HH1 ARG 81 21.486 13.733 19.969 722 1HH2 ARG 81 1HH2 ARG 81 18.071 13.595 19.420 723 2HH2 ARG 81 2HH2 ARG 81 19.369 13.153 20.478 724 H TYR 82 H TYR 82 20.619 19.409 13.722 725 HA TYR 82 HA TYR 82 22.359 19.687 11.338 726 1HB TYR 82 1HB TYR 82 20.318 21.445 12.670 727 2HB TYR 82 2HB TYR 82 21.721 22.233 11.950 728 HD1 TYR 82 HD2 TYR 82 21.335 19.306 10.141 729 HD2 TYR 82 HD1 TYR 82 19.429 23.110 10.644 730 HE1 TYR 82 HE2 TYR 82 20.356 19.113 7.880 731 HE2 TYR 82 HE1 TYR 82 18.447 22.919 8.385 732 HH TYR 82 HH TYR 82 19.390 20.376 6.190 733 H ALA 83 H ALA 83 24.489 20.666 11.833 734 HA ALA 83 HA ALA 83 24.786 21.131 14.725 735 1HB ALA 83 3HB ALA 83 25.548 18.794 13.420 736 2HB ALA 83 1HB ALA 83 27.041 19.679 13.735 737 3HB ALA 83 2HB ALA 83 25.955 19.289 15.059 738 H LEU 84 H LEU 84 25.971 22.659 15.299 739 HA LEU 84 HA LEU 84 27.920 23.900 13.405 740 1HB LEU 84 1HB LEU 84 26.354 25.064 15.697 741 2HB LEU 84 2HB LEU 84 27.687 25.912 14.926 742 HG LEU 84 HG LEU 84 24.942 25.415 13.954 743 1HD1 LEU 84 2HD1 LEU 84 27.104 27.463 13.352 744 2HD1 LEU 84 3HD1 LEU 84 25.441 27.555 12.776 745 3HD1 LEU 84 1HD1 LEU 84 25.781 27.666 14.502 746 1HD2 LEU 84 1HD2 LEU 84 26.361 23.982 12.473 747 2HD2 LEU 84 2HD2 LEU 84 25.539 25.282 11.639 748 3HD2 LEU 84 3HD2 LEU 84 27.257 25.423 12.015 749 H TYR 85 H TYR 85 29.750 22.882 13.880 750 HA TYR 85 HA TYR 85 30.417 22.500 16.757 751 1HB TYR 85 1HB TYR 85 30.771 20.446 15.746 752 2HB TYR 85 2HB TYR 85 31.297 21.175 14.222 753 HD1 TYR 85 HD2 TYR 85 32.218 21.293 17.839 754 HD2 TYR 85 HD1 TYR 85 33.581 21.107 13.763 755 HE1 TYR 85 HE2 TYR 85 34.601 21.219 18.628 756 HE2 TYR 85 HE1 TYR 85 35.940 21.013 14.549 757 HH TYR 85 HH TYR 85 37.272 21.514 16.427 758 H ASP 86 H ASP 86 31.755 23.959 17.647 759 HA ASP 86 HA ASP 86 33.137 26.019 16.268 760 1HB ASP 86 1HB ASP 86 32.839 26.007 18.723 761 2HB ASP 86 2HB ASP 86 33.955 24.649 18.848 762 H ALA 87 H ALA 87 34.370 25.395 14.491 763 HA ALA 87 HA ALA 87 36.182 23.069 14.718 764 1HB ALA 87 3HB ALA 87 34.970 24.534 12.541 765 2HB ALA 87 1HB ALA 87 36.716 24.416 12.297 766 3HB ALA 87 2HB ALA 87 35.748 22.954 12.510 767 H SER 88 H SER 88 38.287 23.210 15.250 768 HA SER 88 HA SER 88 39.593 25.903 15.112 769 1HB SER 88 1HB SER 88 40.299 23.537 16.872 770 2HB SER 88 2HB SER 88 41.124 25.093 16.848 771 HG SER 88 HG SER 88 39.165 24.493 18.371 772 H PHE 89 H PHE 89 40.375 25.715 13.016 773 HA PHE 89 HA PHE 89 42.532 23.685 12.651 774 1HB PHE 89 1HB PHE 89 41.716 23.112 10.454 775 2HB PHE 89 2HB PHE 89 40.376 22.912 11.589 776 HD1 PHE 89 HD1 PHE 89 38.637 24.683 11.803 777 HD2 PHE 89 HD2 PHE 89 41.679 24.846 8.776 778 HE1 PHE 89 HE1 PHE 89 37.310 26.375 10.556 779 HE2 PHE 89 HE2 PHE 89 40.360 26.535 7.535 780 HZ PHE 89 HZ PHE 89 38.174 27.300 8.423 781 H GLU 90 H GLU 90 44.147 24.331 11.121 782 HA GLU 90 HA GLU 90 44.136 27.246 10.557 783 1HB GLU 90 1HB GLU 90 46.354 25.229 10.105 784 2HB GLU 90 2HB GLU 90 46.475 26.984 9.914 785 1HG GLU 90 1HG GLU 90 46.877 27.234 12.094 786 2HG GLU 90 2HG GLU 90 45.378 26.397 12.492 787 H THR 91 H THR 91 44.964 27.800 8.359 788 HA THR 91 HA THR 91 44.189 25.795 6.330 789 HB THR 91 HB THR 91 42.097 26.817 6.416 790 HG1 THR 91 HG1 THR 91 42.008 28.497 4.871 791 1HG2 THR 91 3HG2 THR 91 42.784 28.234 8.327 792 2HG2 THR 91 1HG2 THR 91 43.478 29.408 7.195 793 3HG2 THR 91 2HG2 THR 91 41.741 29.098 7.199 794 H LYS 92 H LYS 92 44.517 27.363 3.976 795 HA LYS 92 HA LYS 92 47.276 28.121 4.037 796 1HB LYS 92 1HB LYS 92 45.024 28.977 2.175 797 2HB LYS 92 2HB LYS 92 46.733 29.314 1.889 798 1HG LYS 92 1HG LYS 92 46.776 26.617 2.390 799 2HG LYS 92 2HG LYS 92 45.236 26.798 1.556 800 1HD LYS 92 1HD LYS 92 46.338 27.909 -0.317 801 2HD LYS 92 2HD LYS 92 47.884 27.854 0.531 802 1HE LYS 92 1HE LYS 92 47.389 25.265 0.643 803 2HE LYS 92 2HE LYS 92 46.332 25.613 -0.724 804 1HZ LYS 92 2HZ LYS 92 48.444 26.907 -1.536 805 2HZ LYS 92 3HZ LYS 92 49.246 25.798 -0.530 806 3HZ LYS 92 1HZ LYS 92 48.277 25.242 -1.811 807 H GLU 93 H GLU 93 44.331 29.499 5.162 808 HA GLU 93 HA GLU 93 45.260 32.214 5.344 809 1HB GLU 93 1HB GLU 93 42.921 31.938 4.993 810 2HB GLU 93 2HB GLU 93 42.805 30.718 6.256 811 1HG GLU 93 1HG GLU 93 42.044 32.477 7.436 812 2HG GLU 93 2HG GLU 93 43.759 32.719 7.720 813 H SER 94 H SER 94 45.095 29.334 7.274 814 HA SER 94 HA SER 94 46.711 28.897 9.028 815 1HB SER 94 1HB SER 94 46.161 31.745 9.779 816 2HB SER 94 2HB SER 94 47.302 30.656 10.561 817 HG SER 94 HG SER 94 48.671 31.385 9.131 818 H ARG 95 H ARG 95 46.329 28.874 11.453 819 HA ARG 95 HA ARG 95 43.898 27.799 12.226 820 1HB ARG 95 1HB ARG 95 45.995 27.993 13.632 821 2HB ARG 95 2HB ARG 95 45.502 29.645 13.983 822 1HG ARG 95 1HG ARG 95 44.537 28.553 15.780 823 2HG ARG 95 2HG ARG 95 43.213 28.469 14.618 824 1HD ARG 95 1HD ARG 95 43.372 26.219 14.439 825 2HD ARG 95 2HD ARG 95 45.130 26.273 14.322 826 HE ARG 95 HE ARG 95 44.589 26.811 17.002 827 1HH1 ARG 95 1HH2 ARG 95 45.325 24.233 15.076 828 2HH1 ARG 95 2HH2 ARG 95 44.618 23.016 16.085 829 1HH2 ARG 95 1HH1 ARG 95 43.021 25.285 18.164 830 2HH2 ARG 95 2HH1 ARG 95 43.315 23.610 17.833 831 H LYS 96 H LYS 96 42.081 28.689 11.724 832 HA LYS 96 HA LYS 96 41.546 31.495 12.566 833 1HB LYS 96 1HB LYS 96 41.037 30.277 9.846 834 2HB LYS 96 2HB LYS 96 40.304 31.789 10.380 835 1HG LYS 96 1HG LYS 96 43.173 31.728 10.900 836 2HG LYS 96 2HG LYS 96 42.818 31.501 9.189 837 1HD LYS 96 1HD LYS 96 41.984 33.807 10.962 838 2HD LYS 96 2HD LYS 96 43.010 33.861 9.528 839 1HE LYS 96 1HE LYS 96 41.149 34.310 8.331 840 2HE LYS 96 2HE LYS 96 40.635 32.653 8.656 841 1HZ LYS 96 2HZ LYS 96 39.638 33.461 10.742 842 2HZ LYS 96 3HZ LYS 96 40.044 35.051 10.307 843 3HZ LYS 96 1HZ LYS 96 38.937 34.166 9.369 844 H GLU 97 H GLU 97 40.762 28.749 13.474 845 HA GLU 97 HA GLU 97 38.785 27.455 13.780 846 1HB GLU 97 1HB GLU 97 39.454 29.206 15.649 847 2HB GLU 97 2HB GLU 97 37.857 29.847 15.248 848 1HG GLU 97 1HG GLU 97 36.875 27.623 15.550 849 2HG GLU 97 2HG GLU 97 38.476 26.983 15.925 850 H GLU 98 H GLU 98 37.214 27.023 12.407 851 HA GLU 98 HA GLU 98 35.121 29.068 12.008 852 1HB GLU 98 1HB GLU 98 35.856 29.487 9.939 853 2HB GLU 98 2HB GLU 98 36.942 28.103 9.943 854 1HG GLU 98 1HG GLU 98 35.247 26.636 9.181 855 2HG GLU 98 2HG GLU 98 33.963 27.774 9.593 856 H LEU 99 H LEU 99 33.711 27.946 13.208 857 HA LEU 99 HA LEU 99 33.237 25.161 13.311 858 1HB LEU 99 1HB LEU 99 30.966 25.721 14.066 859 2HB LEU 99 2HB LEU 99 32.165 26.770 14.817 860 HG LEU 99 HG LEU 99 31.670 28.355 12.782 861 1HD1 LEU 99 1HD1 LEU 99 29.596 26.259 12.589 862 2HD1 LEU 99 2HD1 LEU 99 28.980 27.909 12.496 863 3HD1 LEU 99 3HD1 LEU 99 30.196 27.353 11.333 864 1HD2 LEU 99 2HD2 LEU 99 29.838 27.915 15.171 865 2HD2 LEU 99 3HD2 LEU 99 31.159 29.058 15.026 866 3HD2 LEU 99 1HD2 LEU 99 29.675 29.315 14.111 867 H MET 100 H MET 100 31.214 24.076 12.438 868 HA MET 100 HA MET 100 30.596 24.985 9.695 869 1HB MET 100 1HB MET 100 31.697 22.297 10.360 870 2HB MET 100 2HB MET 100 31.313 22.923 8.753 871 1HG MET 100 1HG MET 100 32.982 24.720 9.071 872 2HG MET 100 2HG MET 100 33.402 24.043 10.645 873 1HE MET 100 2HE MET 100 32.692 21.056 9.814 874 2HE MET 100 3HE MET 100 32.173 21.554 8.206 875 3HE MET 100 1HE MET 100 33.493 20.408 8.381 876 H PHE 101 H PHE 101 28.615 24.654 9.201 877 HA PHE 101 HA PHE 101 26.605 23.558 10.768 878 1HB PHE 101 1HB PHE 101 26.745 24.814 8.372 879 2HB PHE 101 2HB PHE 101 26.347 23.181 7.870 880 HD1 PHE 101 HD1 PHE 101 24.979 23.463 11.089 881 HD2 PHE 101 HD2 PHE 101 24.420 24.851 7.061 882 HE1 PHE 101 HE1 PHE 101 22.589 23.855 11.554 883 HE2 PHE 101 HE2 PHE 101 22.029 25.271 7.556 884 HZ PHE 101 HZ PHE 101 21.123 24.760 9.783 885 H PHE 102 H PHE 102 25.404 21.516 10.483 886 HA PHE 102 HA PHE 102 26.810 19.411 8.997 887 1HB PHE 102 1HB PHE 102 26.889 19.664 11.920 888 2HB PHE 102 2HB PHE 102 26.477 18.054 11.321 889 HD1 PHE 102 HD2 PHE 102 27.968 17.012 9.523 890 HD2 PHE 102 HD1 PHE 102 29.061 20.470 11.834 891 HE1 PHE 102 HE2 PHE 102 30.365 16.689 8.902 892 HE2 PHE 102 HE1 PHE 102 31.435 20.148 11.239 893 HZ PHE 102 HZ PHE 102 32.095 18.252 9.762 894 H LEU 103 H LEU 103 25.086 18.703 7.828 895 HA LEU 103 HA LEU 103 22.449 18.508 9.106 896 1HB LEU 103 1HB LEU 103 23.340 17.784 6.310 897 2HB LEU 103 2HB LEU 103 21.685 17.737 6.897 898 HG LEU 103 HG LEU 103 21.427 19.926 6.487 899 1HD1 LEU 103 1HD1 LEU 103 22.828 20.146 8.782 900 2HD1 LEU 103 2HD1 LEU 103 24.003 20.861 7.693 901 3HD1 LEU 103 3HD1 LEU 103 22.392 21.551 7.833 902 1HD2 LEU 103 2HD2 LEU 103 24.163 19.433 5.393 903 2HD2 LEU 103 3HD2 LEU 103 22.679 19.868 4.542 904 3HD2 LEU 103 1HD2 LEU 103 23.577 21.093 5.438 905 H TRP 104 H TRP 104 24.009 17.059 10.498 906 HA TRP 104 HA TRP 104 24.767 14.520 9.867 907 1HB TRP 104 1HB TRP 104 24.899 15.568 12.157 908 2HB TRP 104 2HB TRP 104 23.170 15.250 12.346 909 HD1 TRP 104 HD1 TRP 104 23.468 13.433 14.285 910 HE1 TRP 104 HE1 TRP 104 24.294 11.007 14.197 911 HE3 TRP 104 HE3 TRP 104 25.797 13.355 9.687 912 HZ2 TRP 104 HZ2 TRP 104 25.823 9.255 12.400 913 HZ3 TRP 104 HZ3 TRP 104 26.838 11.377 8.844 914 HH2 TRP 104 HH2 TRP 104 26.881 9.295 10.190 915 H ALA 105 H ALA 105 23.429 13.516 8.314 916 HA ALA 105 HA ALA 105 20.682 12.809 9.251 917 1HB ALA 105 2HB ALA 105 21.054 14.608 7.266 918 2HB ALA 105 3HB ALA 105 21.172 13.124 6.319 919 3HB ALA 105 1HB ALA 105 19.714 13.460 7.250 920 HA PRO 106 HA PRO 106 23.175 9.106 8.310 921 1HB PRO 106 1HB PRO 106 22.018 7.606 10.324 922 2HB PRO 106 2HB PRO 106 23.440 8.640 10.550 923 1HG PRO 106 1HG PRO 106 20.605 9.130 11.370 924 2HG PRO 106 2HG PRO 106 22.109 9.709 12.112 925 1HD PRO 106 1HD PRO 106 20.443 11.250 10.464 926 2HD PRO 106 2HD PRO 106 22.141 11.622 10.829 927 H GLU 107 H GLU 107 22.364 6.931 7.620 928 HA GLU 107 HA GLU 107 19.938 7.254 6.067 929 1HB GLU 107 1HB GLU 107 21.586 4.770 6.581 930 2HB GLU 107 2HB GLU 107 20.406 4.981 5.289 931 1HG GLU 107 1HG GLU 107 22.884 6.694 5.640 932 2HG GLU 107 2HG GLU 107 22.763 5.333 4.523 933 H LEU 108 H LEU 108 20.131 6.789 9.293 934 HA LEU 108 HA LEU 108 18.098 4.644 9.374 935 1HB LEU 108 1HB LEU 108 19.813 5.806 11.572 936 2HB LEU 108 2HB LEU 108 18.672 4.475 11.770 937 HG LEU 108 HG LEU 108 19.931 3.281 9.934 938 1HD1 LEU 108 2HD1 LEU 108 21.541 5.754 10.216 939 2HD1 LEU 108 3HD1 LEU 108 22.407 4.246 9.912 940 3HD1 LEU 108 1HD1 LEU 108 21.168 4.801 8.782 941 1HD2 LEU 108 3HD2 LEU 108 20.643 3.698 12.705 942 2HD2 LEU 108 1HD2 LEU 108 20.770 2.225 11.744 943 3HD2 LEU 108 2HD2 LEU 108 22.095 3.389 11.753 944 H ALA 109 H ALA 109 18.817 7.777 10.908 945 HA ALA 109 HA ALA 109 16.310 8.106 12.208 946 1HB ALA 109 1HB ALA 109 18.653 9.670 11.771 947 2HB ALA 109 2HB ALA 109 17.210 10.658 11.387 948 3HB ALA 109 3HB ALA 109 17.387 9.906 12.991 949 HA PRO 110 HA PRO 110 15.110 11.048 8.846 950 1HB PRO 110 1HB PRO 110 16.621 11.184 6.547 951 2HB PRO 110 2HB PRO 110 16.797 12.225 7.966 952 1HG PRO 110 1HG PRO 110 18.460 9.973 7.076 953 2HG PRO 110 2HG PRO 110 18.860 11.357 8.099 954 1HD PRO 110 1HD PRO 110 18.354 8.715 9.024 955 2HD PRO 110 2HD PRO 110 18.461 10.184 10.006 956 H LEU 111 H LEU 111 14.959 11.036 6.225 957 HA LEU 111 HA LEU 111 14.095 9.700 4.353 958 1HB LEU 111 1HB LEU 111 13.969 7.579 5.964 959 2HB LEU 111 2HB LEU 111 12.416 8.273 6.439 960 HG LEU 111 HG LEU 111 13.197 7.720 3.566 961 1HD1 LEU 111 1HD1 LEU 111 12.374 5.902 5.652 962 2HD1 LEU 111 2HD1 LEU 111 11.131 5.989 4.404 963 3HD1 LEU 111 3HD1 LEU 111 12.783 5.548 3.973 964 1HD2 LEU 111 2HD2 LEU 111 10.889 8.937 4.947 965 2HD2 LEU 111 3HD2 LEU 111 11.410 9.102 3.270 966 3HD2 LEU 111 1HD2 LEU 111 10.454 7.705 3.763 967 H LYS 112 H LYS 112 13.429 11.077 7.301 968 HA LYS 112 HA LYS 112 11.349 12.743 6.175 969 1HB LYS 112 1HB LYS 112 10.101 11.607 7.813 970 2HB LYS 112 2HB LYS 112 11.501 11.404 8.868 971 1HG LYS 112 1HG LYS 112 10.287 13.075 9.953 972 2HG LYS 112 2HG LYS 112 11.459 13.999 9.028 973 1HD LYS 112 1HD LYS 112 8.546 13.514 8.382 974 2HD LYS 112 2HD LYS 112 9.345 15.058 8.646 975 1HE LYS 112 1HE LYS 112 10.785 14.442 6.561 976 2HE LYS 112 2HE LYS 112 9.546 13.230 6.247 977 1HZ LYS 112 1HZ LYS 112 8.088 15.433 6.799 978 2HZ LYS 112 2HZ LYS 112 9.417 16.095 5.978 979 3HZ LYS 112 3HZ LYS 112 8.475 14.890 5.237 980 H SER 113 H SER 113 14.301 12.291 8.339 981 HA SER 113 HA SER 113 14.514 15.190 8.710 982 1HB SER 113 1HB SER 113 15.753 14.275 10.396 983 2HB SER 113 2HB SER 113 16.023 12.772 9.519 984 HG SER 113 HG SER 113 17.890 13.530 8.962 985 H LYS 114 H LYS 114 15.128 12.897 6.268 986 HA LYS 114 HA LYS 114 17.264 14.337 4.886 987 1HB LYS 114 1HB LYS 114 17.046 12.651 3.216 988 2HB LYS 114 2HB LYS 114 16.672 11.803 4.718 989 1HG LYS 114 1HG LYS 114 14.249 12.106 4.318 990 2HG LYS 114 2HG LYS 114 14.606 13.008 2.843 991 1HD LYS 114 1HD LYS 114 15.544 10.169 3.272 992 2HD LYS 114 2HD LYS 114 14.032 10.578 2.463 993 1HE LYS 114 1HE LYS 114 15.408 12.054 0.903 994 2HE LYS 114 2HE LYS 114 16.842 11.297 1.596 995 1HZ LYS 114 3HZ LYS 114 14.676 9.575 0.624 996 2HZ LYS 114 1HZ LYS 114 15.698 10.311 -0.517 997 3HZ LYS 114 2HZ LYS 114 16.346 9.285 0.672 998 H MET 115 H MET 115 13.775 13.881 4.627 999 HA MET 115 HA MET 115 13.529 15.777 2.376 1000 1HB MET 115 1HB MET 115 11.140 15.213 3.981 1001 2HB MET 115 2HB MET 115 11.376 15.051 2.234 1002 1HG MET 115 1HG MET 115 12.725 12.943 2.713 1003 2HG MET 115 2HG MET 115 12.169 13.062 4.383 1004 1HE MET 115 2HE MET 115 12.088 11.048 2.071 1005 2HE MET 115 3HE MET 115 10.472 10.378 1.800 1006 3HE MET 115 1HE MET 115 11.079 11.668 0.766 1007 H ILE 116 H ILE 116 13.764 15.972 5.768 1008 HA ILE 116 HA ILE 116 12.035 18.268 5.970 1009 HB ILE 116 HB ILE 116 13.559 16.404 7.688 1010 1HG1 ILE 116 1HG1 ILE 116 10.830 17.731 7.843 1011 2HG1 ILE 116 2HG1 ILE 116 11.169 16.057 7.407 1012 1HG2 ILE 116 3HG2 ILE 116 13.119 19.287 8.271 1013 2HG2 ILE 116 1HG2 ILE 116 13.077 18.118 9.593 1014 3HG2 ILE 116 2HG2 ILE 116 14.512 18.254 8.586 1015 1HD1 ILE 116 2HD1 ILE 116 12.422 16.270 9.845 1016 2HD1 ILE 116 3HD1 ILE 116 11.010 17.301 10.073 1017 3HD1 ILE 116 1HD1 ILE 116 10.803 15.615 9.609 1018 H TYR 117 H TYR 117 15.312 17.435 6.803 1019 HA TYR 117 HA TYR 117 16.302 19.996 7.427 1020 1HB TYR 117 1HB TYR 117 17.449 17.402 6.532 1021 2HB TYR 117 2HB TYR 117 18.514 18.822 6.600 1022 HD1 TYR 117 HD1 TYR 117 17.349 20.271 8.934 1023 HD2 TYR 117 HD2 TYR 117 18.106 16.085 8.371 1024 HE1 TYR 117 HE1 TYR 117 17.473 19.969 11.387 1025 HE2 TYR 117 HE2 TYR 117 18.225 15.781 10.837 1026 HH TYR 117 HH TYR 117 17.084 17.284 12.909 1027 H ALA 118 H ALA 118 15.618 18.386 4.501 1028 HA ALA 118 HA ALA 118 17.057 19.675 2.527 1029 1HB ALA 118 1HB ALA 118 14.627 18.233 2.838 1030 2HB ALA 118 2HB ALA 118 14.282 19.642 1.823 1031 3HB ALA 118 3HB ALA 118 15.538 18.495 1.342 1032 H SER 119 H SER 119 14.096 20.807 4.171 1033 HA SER 119 HA SER 119 14.553 23.528 3.029 1034 1HB SER 119 1HB SER 119 12.283 22.257 2.904 1035 2HB SER 119 2HB SER 119 12.135 22.689 4.605 1036 HG SER 119 HG SER 119 11.269 24.207 2.955 1037 H SER 120 H SER 120 15.210 21.747 5.777 1038 HA SER 120 HA SER 120 14.658 23.793 7.788 1039 1HB SER 120 1HB SER 120 15.113 21.249 8.156 1040 2HB SER 120 2HB SER 120 16.810 21.711 8.044 1041 HG SER 120 HG SER 120 15.241 23.307 9.663 1042 H LYS 121 H LYS 121 17.272 22.990 5.653 1043 HA LYS 121 HA LYS 121 19.081 24.999 6.794 1044 1HB LYS 121 1HB LYS 121 19.250 22.817 4.927 1045 2HB LYS 121 2HB LYS 121 20.021 24.295 4.329 1046 1HG LYS 121 1HG LYS 121 21.424 24.475 6.181 1047 2HG LYS 121 2HG LYS 121 20.434 23.404 7.187 1048 1HD LYS 121 1HD LYS 121 22.543 22.331 6.291 1049 2HD LYS 121 2HD LYS 121 21.061 21.499 5.801 1050 1HE LYS 121 1HE LYS 121 21.648 23.603 3.945 1051 2HE LYS 121 2HE LYS 121 23.065 22.570 4.122 1052 1HZ LYS 121 3HZ LYS 121 20.872 20.887 4.017 1053 2HZ LYS 121 1HZ LYS 121 20.638 22.028 2.782 1054 3HZ LYS 121 2HZ LYS 121 22.060 21.102 2.821 1055 H ASP 122 H ASP 122 17.537 26.475 6.605 1056 HA ASP 122 HA ASP 122 17.757 28.445 4.588 1057 1HB ASP 122 1HB ASP 122 16.060 26.371 3.767 1058 2HB ASP 122 2HB ASP 122 14.954 27.559 4.464 1059 H ALA 123 H ALA 123 15.801 26.738 6.901 1060 HA ALA 123 HA ALA 123 14.662 29.170 8.112 1061 1HB ALA 123 2HB ALA 123 13.780 26.661 8.073 1062 2HB ALA 123 3HB ALA 123 14.825 26.507 9.489 1063 3HB ALA 123 1HB ALA 123 13.499 27.677 9.492 1064 H ILE 124 H ILE 124 16.826 26.557 9.217 1065 HA ILE 124 HA ILE 124 17.998 27.805 11.431 1066 HB ILE 124 HB ILE 124 18.371 25.472 10.776 1067 1HG1 ILE 124 1HG1 ILE 124 21.089 26.602 10.549 1068 2HG1 ILE 124 2HG1 ILE 124 20.137 27.204 11.904 1069 1HG2 ILE 124 3HG2 ILE 124 18.558 26.340 8.288 1070 2HG2 ILE 124 1HG2 ILE 124 20.281 26.411 8.679 1071 3HG2 ILE 124 2HG2 ILE 124 19.413 24.877 8.787 1072 1HD1 ILE 124 3HD1 ILE 124 20.426 24.266 11.290 1073 2HD1 ILE 124 1HD1 ILE 124 21.524 25.123 12.372 1074 3HD1 ILE 124 2HD1 ILE 124 19.800 25.007 12.783 1075 H LYS 125 H LYS 125 18.529 28.077 8.003 1076 HA LYS 125 HA LYS 125 21.017 29.413 7.892 1077 1HB LYS 125 1HB LYS 125 18.627 29.189 6.160 1078 2HB LYS 125 2HB LYS 125 19.649 30.598 5.871 1079 1HG LYS 125 1HG LYS 125 20.188 28.461 4.546 1080 2HG LYS 125 2HG LYS 125 21.529 29.273 5.352 1081 1HD LYS 125 1HD LYS 125 20.194 27.368 7.101 1082 2HD LYS 125 2HD LYS 125 20.821 26.601 5.642 1083 1HE LYS 125 1HE LYS 125 22.639 28.567 6.910 1084 2HE LYS 125 2HE LYS 125 22.326 27.095 7.844 1085 1HZ LYS 125 3HZ LYS 125 23.063 27.023 4.982 1086 2HZ LYS 125 1HZ LYS 125 24.232 27.016 6.215 1087 3HZ LYS 125 2HZ LYS 125 23.100 25.753 6.104 1088 H LYS 126 H LYS 126 17.727 30.717 8.225 1089 HA LYS 126 HA LYS 126 18.363 33.460 8.094 1090 1HB LYS 126 1HB LYS 126 16.107 31.941 8.901 1091 2HB LYS 126 2HB LYS 126 16.445 33.091 10.196 1092 1HG LYS 126 1HG LYS 126 16.266 34.953 8.745 1093 2HG LYS 126 2HG LYS 126 16.393 33.945 7.303 1094 1HD LYS 126 1HD LYS 126 14.131 33.445 9.200 1095 2HD LYS 126 2HD LYS 126 14.032 34.835 8.118 1096 1HE LYS 126 1HE LYS 126 14.758 33.086 6.283 1097 2HE LYS 126 2HE LYS 126 14.129 31.913 7.440 1098 1HZ LYS 126 2HZ LYS 126 12.421 34.197 7.023 1099 2HZ LYS 126 3HZ LYS 126 12.644 33.248 5.636 1100 3HZ LYS 126 1HZ LYS 126 12.036 32.542 7.056 1101 H LYS 127 H LYS 127 19.103 31.148 10.480 1102 HA LYS 127 HA LYS 127 20.107 33.272 12.323 1103 1HB LYS 127 1HB LYS 127 19.779 30.309 12.869 1104 2HB LYS 127 2HB LYS 127 20.110 31.570 14.054 1105 1HG LYS 127 1HG LYS 127 17.578 31.283 12.406 1106 2HG LYS 127 2HG LYS 127 17.735 30.954 14.131 1107 1HD LYS 127 1HD LYS 127 17.740 33.177 14.691 1108 2HD LYS 127 2HD LYS 127 18.602 33.653 13.231 1109 1HE LYS 127 1HE LYS 127 16.632 34.347 12.391 1110 2HE LYS 127 2HE LYS 127 16.134 32.657 12.334 1111 1HZ LYS 127 3HZ LYS 127 15.393 32.878 14.655 1112 2HZ LYS 127 1HZ LYS 127 15.766 34.535 14.603 1113 3HZ LYS 127 2HZ LYS 127 14.550 33.910 13.600 1114 H PHE 128 H PHE 128 20.893 30.704 10.186 1115 HA PHE 128 HA PHE 128 23.783 30.699 10.975 1116 1HB PHE 128 1HB PHE 128 22.039 28.849 9.355 1117 2HB PHE 128 2HB PHE 128 23.800 28.824 9.173 1118 HD1 PHE 128 HD2 PHE 128 22.680 30.048 12.315 1119 HD2 PHE 128 HD1 PHE 128 23.588 26.429 10.185 1120 HE1 PHE 128 HE2 PHE 128 22.869 28.867 14.437 1121 HE2 PHE 128 HE1 PHE 128 23.762 25.229 12.366 1122 HZ PHE 128 HZ PHE 128 23.394 26.447 14.488 1123 H GLN 129 H GLN 129 22.218 32.832 9.690 1124 HA GLN 129 HA GLN 129 22.026 33.911 7.498 1125 1HB GLN 129 1HB GLN 129 24.813 34.310 8.592 1126 2HB GLN 129 2HB GLN 129 23.916 35.448 7.586 1127 1HG GLN 129 1HG GLN 129 23.046 34.454 10.316 1128 2HG GLN 129 2HG GLN 129 23.796 36.024 10.008 1129 1HE2 GLN 129 2HE2 GLN 129 19.933 35.380 8.730 1130 2HE2 GLN 129 1HE2 GLN 129 20.956 34.052 8.999 1131 H GLY 130 H GLY 130 25.451 33.130 7.417 1132 1HA GLY 130 1HA GLY 130 25.005 31.288 5.155 1133 2HA GLY 130 2HA GLY 130 26.095 32.678 4.889 1134 H ILE 131 H ILE 131 25.456 29.971 6.960 1135 HA ILE 131 HA ILE 131 27.428 29.950 8.716 1136 HB ILE 131 HB ILE 131 25.562 28.254 7.679 1137 1HG1 ILE 131 1HG1 ILE 131 27.361 28.504 10.019 1138 2HG1 ILE 131 2HG1 ILE 131 25.645 28.912 9.876 1139 1HG2 ILE 131 2HG2 ILE 131 27.899 27.158 6.809 1140 2HG2 ILE 131 3HG2 ILE 131 27.746 26.471 8.432 1141 3HG2 ILE 131 1HG2 ILE 131 26.456 26.257 7.256 1142 1HD1 ILE 131 2HD1 ILE 131 25.267 26.482 9.393 1143 2HD1 ILE 131 3HD1 ILE 131 26.943 26.220 9.936 1144 3HD1 ILE 131 1HD1 ILE 131 25.721 26.906 11.045 1145 H LYS 132 H LYS 132 29.252 29.282 8.983 1146 HA LYS 132 HA LYS 132 31.263 29.765 7.050 1147 1HB LYS 132 1HB LYS 132 32.006 27.835 9.169 1148 2HB LYS 132 2HB LYS 132 32.768 29.361 8.716 1149 1HG LYS 132 1HG LYS 132 30.301 28.974 10.408 1150 2HG LYS 132 2HG LYS 132 31.842 29.670 10.910 1151 1HD LYS 132 1HD LYS 132 31.043 31.186 8.675 1152 2HD LYS 132 2HD LYS 132 29.577 30.980 9.634 1153 1HE LYS 132 1HE LYS 132 30.558 32.899 10.577 1154 2HE LYS 132 2HE LYS 132 31.084 31.610 11.659 1155 1HZ LYS 132 2HZ LYS 132 32.764 32.184 9.343 1156 2HZ LYS 132 3HZ LYS 132 32.768 33.324 10.603 1157 3HZ LYS 132 1HZ LYS 132 33.203 31.715 10.917 1158 H HIS 133 H HIS 133 29.479 26.859 8.044 1159 HA HIS 133 HA HIS 133 30.497 25.700 5.490 1160 1HB HIS 133 1HB HIS 133 31.479 24.827 8.105 1161 2HB HIS 133 2HB HIS 133 30.997 23.524 7.019 1162 HD1 HIS 133 HD1 HIS 133 31.786 24.805 4.328 1163 HD2 HIS 133 HD2 HIS 133 34.228 24.832 7.698 1164 HE1 HIS 133 HE1 HIS 133 34.151 25.139 3.490 1165 H GLU 134 H GLU 134 28.737 24.956 4.507 1166 HA GLU 134 HA GLU 134 26.656 23.671 6.177 1167 1HB GLU 134 1HB GLU 134 25.495 24.868 4.644 1168 2HB GLU 134 2HB GLU 134 26.740 24.727 3.410 1169 1HG GLU 134 1HG GLU 134 26.132 22.372 3.058 1170 2HG GLU 134 2HG GLU 134 24.915 22.498 4.328 1171 H CYS 135 H CYS 135 27.281 21.720 6.655 1172 HA CYS 135 HA CYS 135 28.347 19.952 4.469 1173 1HB CYS 135 1HB CYS 135 30.140 20.581 6.034 1174 2HB CYS 135 2HB CYS 135 29.185 19.949 7.380 1175 HG CYS 135 HG CYS 135 29.333 17.558 6.167 1176 H GLN 136 H GLN 136 26.637 18.552 4.055 1177 HA GLN 136 HA GLN 136 25.115 17.483 6.349 1178 1HB GLN 136 1HB GLN 136 23.840 17.998 4.307 1179 2HB GLN 136 2HB GLN 136 24.866 16.905 3.377 1180 1HG GLN 136 1HG GLN 136 24.034 14.991 4.481 1181 2HG GLN 136 2HG GLN 136 23.374 15.941 5.812 1182 1HE2 GLN 136 2HE2 GLN 136 20.477 16.949 3.941 1183 2HE2 GLN 136 1HE2 GLN 136 21.578 17.578 5.057 1184 H ALA 137 H ALA 137 24.926 15.099 6.616 1185 HA ALA 137 HA ALA 137 27.108 13.474 5.462 1186 1HB ALA 137 2HB ALA 137 26.925 14.204 8.380 1187 2HB ALA 137 3HB ALA 137 27.771 12.761 7.819 1188 3HB ALA 137 1HB ALA 137 28.315 14.359 7.303 1189 H ASN 138 H ASN 138 25.984 11.763 4.799 1190 HA ASN 138 HA ASN 138 23.875 10.693 6.615 1191 1HB ASN 138 1HB ASN 138 24.267 10.270 3.642 1192 2HB ASN 138 2HB ASN 138 23.035 9.452 4.618 1193 1HD2 ASN 138 2HD2 ASN 138 22.608 13.571 4.302 1194 2HD2 ASN 138 1HD2 ASN 138 24.169 12.915 4.421 1195 H GLY 139 H GLY 139 26.277 10.481 7.288 1196 1HA GLY 139 1HA GLY 139 26.843 7.895 8.013 1197 2HA GLY 139 2HA GLY 139 27.790 8.187 6.530 1198 HA PRO 140 HA PRO 140 29.150 10.841 10.245 1199 1HB PRO 140 1HB PRO 140 30.939 9.163 11.546 1200 2HB PRO 140 2HB PRO 140 29.255 9.418 12.038 1201 1HG PRO 140 1HG PRO 140 30.462 7.110 10.571 1202 2HG PRO 140 2HG PRO 140 29.097 7.129 11.700 1203 1HD PRO 140 1HD PRO 140 28.825 6.995 8.921 1204 2HD PRO 140 2HD PRO 140 27.555 7.583 10.014 1205 H GLU 141 H GLU 141 30.286 9.077 7.634 1206 HA GLU 141 HA GLU 141 33.110 9.819 7.718 1207 1HB GLU 141 1HB GLU 141 33.190 8.061 6.314 1208 2HB GLU 141 2HB GLU 141 31.423 8.015 6.231 1209 1HG GLU 141 1HG GLU 141 31.391 9.671 4.495 1210 2HG GLU 141 2HG GLU 141 33.125 9.954 4.661 1211 H ASP 142 H ASP 142 30.087 11.116 6.355 1212 HA ASP 142 HA ASP 142 31.414 12.885 4.489 1213 1HB ASP 142 1HB ASP 142 28.727 12.430 5.452 1214 2HB ASP 142 2HB ASP 142 29.086 14.159 5.489 1215 H LEU 143 H LEU 143 31.078 12.694 7.862 1216 HA LEU 143 HA LEU 143 31.779 15.490 8.454 1217 1HB LEU 143 1HB LEU 143 31.415 13.042 10.186 1218 2HB LEU 143 2HB LEU 143 31.712 14.672 10.790 1219 HG LEU 143 HG LEU 143 29.582 14.972 9.008 1220 1HD1 LEU 143 3HD1 LEU 143 29.331 12.505 9.037 1221 2HD1 LEU 143 1HD1 LEU 143 29.193 12.558 10.795 1222 3HD1 LEU 143 2HD1 LEU 143 27.951 13.308 9.793 1223 1HD2 LEU 143 1HD2 LEU 143 30.109 15.997 11.292 1224 2HD2 LEU 143 2HD2 LEU 143 28.410 15.650 10.973 1225 3HD2 LEU 143 3HD2 LEU 143 29.359 14.564 11.990 1226 H ASN 144 H ASN 144 33.210 12.519 7.801 1227 HA ASN 144 HA ASN 144 35.416 12.107 9.231 1228 1HB ASN 144 1HB ASN 144 34.870 10.918 7.136 1229 2HB ASN 144 2HB ASN 144 35.356 12.341 6.220 1230 1HD2 ASN 144 2HD2 ASN 144 38.422 10.825 8.378 1231 2HD2 ASN 144 1HD2 ASN 144 36.928 11.160 9.118 1232 H ARG 145 H ARG 145 36.712 13.592 10.090 1233 HA ARG 145 HA ARG 145 36.948 16.259 9.366 1234 1HB ARG 145 1HB ARG 145 39.444 15.850 10.318 1235 2HB ARG 145 2HB ARG 145 38.020 15.967 11.351 1236 1HG ARG 145 1HG ARG 145 38.002 13.734 11.822 1237 2HG ARG 145 2HG ARG 145 38.551 13.281 10.205 1238 1HD ARG 145 1HD ARG 145 40.834 13.907 10.754 1239 2HD ARG 145 2HD ARG 145 40.325 14.550 12.316 1240 HE ARG 145 HE ARG 145 39.631 11.740 11.951 1241 1HH1 ARG 145 1HH1 ARG 145 41.938 14.073 13.032 1242 2HH1 ARG 145 2HH1 ARG 145 42.833 12.936 13.980 1243 1HH2 ARG 145 1HH2 ARG 145 40.842 10.236 13.118 1244 2HH2 ARG 145 2HH2 ARG 145 42.214 10.769 14.030 1245 H ALA 146 H ALA 146 38.722 13.544 7.981 1246 HA ALA 146 HA ALA 146 40.638 15.019 6.461 1247 1HB ALA 146 1HB ALA 146 40.550 12.499 6.697 1248 2HB ALA 146 2HB ALA 146 39.134 12.511 5.630 1249 3HB ALA 146 3HB ALA 146 40.709 13.042 5.023 1250 H CYS 147 H CYS 147 37.345 14.046 5.977 1251 HA CYS 147 HA CYS 147 36.997 15.181 3.313 1252 1HB CYS 147 1HB CYS 147 35.657 13.393 4.765 1253 2HB CYS 147 2HB CYS 147 34.727 14.848 5.159 1254 HG CYS 147 HG CYS 147 35.097 13.792 2.222 1255 H ILE 148 H ILE 148 36.430 16.272 6.590 1256 HA ILE 148 HA ILE 148 35.082 18.667 5.794 1257 HB ILE 148 HB ILE 148 36.473 17.676 8.275 1258 1HG1 ILE 148 1HG1 ILE 148 34.558 16.559 8.574 1259 2HG1 ILE 148 2HG1 ILE 148 33.733 18.104 8.749 1260 1HG2 ILE 148 2HG2 ILE 148 35.107 20.238 7.612 1261 2HG2 ILE 148 3HG2 ILE 148 35.207 19.671 9.280 1262 3HG2 ILE 148 1HG2 ILE 148 36.678 19.975 8.350 1263 1HD1 ILE 148 2HD1 ILE 148 34.218 16.691 6.115 1264 2HD1 ILE 148 3HD1 ILE 148 32.727 16.570 7.041 1265 3HD1 ILE 148 1HD1 ILE 148 33.228 18.138 6.370 1266 H ALA 149 H ALA 149 38.109 17.296 5.919 1267 HA ALA 149 HA ALA 149 39.720 19.766 5.814 1268 1HB ALA 149 1HB ALA 149 40.234 16.807 5.923 1269 2HB ALA 149 2HB ALA 149 41.523 17.932 5.496 1270 3HB ALA 149 3HB ALA 149 40.732 18.040 7.067 1271 H GLU 150 H GLU 150 37.686 18.719 3.975 1272 HA GLU 150 HA GLU 150 39.076 18.920 1.396 1273 1HB GLU 150 1HB GLU 150 38.393 16.814 0.983 1274 2HB GLU 150 2HB GLU 150 37.443 16.756 2.469 1275 1HG GLU 150 1HG GLU 150 35.586 17.886 1.384 1276 2HG GLU 150 2HG GLU 150 36.534 18.116 -0.087 1277 H LYS 151 H LYS 151 36.274 19.386 3.464 1278 HA LYS 151 HA LYS 151 34.802 21.011 1.566 1279 1HB LYS 151 1HB LYS 151 33.225 20.306 3.047 1280 2HB LYS 151 2HB LYS 151 34.453 19.824 4.219 1281 1HG LYS 151 1HG LYS 151 34.491 21.913 5.231 1282 2HG LYS 151 2HG LYS 151 33.812 22.727 3.816 1283 1HD LYS 151 1HD LYS 151 32.338 20.770 5.618 1284 2HD LYS 151 2HD LYS 151 32.089 22.527 5.579 1285 1HE LYS 151 1HE LYS 151 30.455 22.027 4.068 1286 2HE LYS 151 2HE LYS 151 31.797 21.904 2.932 1287 1HZ LYS 151 2HZ LYS 151 31.484 19.498 4.406 1288 2HZ LYS 151 3HZ LYS 151 30.033 19.911 3.630 1289 3HZ LYS 151 1HZ LYS 151 31.461 19.738 2.725 1290 H LEU 152 H LEU 152 37.345 21.196 3.848 1291 HA LEU 152 HA LEU 152 37.555 24.164 3.546 1292 1HB LEU 152 1HB LEU 152 38.798 22.422 5.709 1293 2HB LEU 152 2HB LEU 152 38.889 24.177 5.600 1294 HG LEU 152 HG LEU 152 36.125 23.325 5.559 1295 1HD1 LEU 152 1HD1 LEU 152 37.861 21.733 7.182 1296 2HD1 LEU 152 2HD1 LEU 152 36.913 22.768 8.259 1297 3HD1 LEU 152 3HD1 LEU 152 36.098 21.697 7.117 1298 1HD2 LEU 152 2HD2 LEU 152 37.869 24.946 7.443 1299 2HD2 LEU 152 3HD2 LEU 152 36.809 25.566 6.175 1300 3HD2 LEU 152 1HD2 LEU 152 36.118 24.811 7.613 1301 H GLY 153 H GLY 153 39.151 20.988 3.652 1302 1HA GLY 153 1HA GLY 153 41.713 22.010 2.660 1303 2HA GLY 153 2HA GLY 153 41.304 20.349 2.977 1304 H GLY 154 H GLY 154 38.843 21.386 1.315 1305 1HA GLY 154 1HA GLY 154 39.949 20.380 -1.267 1306 2HA GLY 154 2HA GLY 154 38.231 20.538 -0.906 1307 H SER 155 H SER 155 40.342 23.094 0.002 1308 HA SER 155 HA SER 155 39.800 24.664 -2.441 1309 1HB SER 155 1HB SER 155 38.215 24.919 -0.078 1310 2HB SER 155 2HB SER 155 39.215 26.361 -0.223 1311 HG SER 155 HG SER 155 38.158 25.523 -2.601 1312 H LEU 156 H LEU 156 41.025 25.007 0.923 1313 HA LEU 156 HA LEU 156 43.696 25.388 0.193 1314 1HB LEU 156 1HB LEU 156 43.653 27.943 0.501 1315 2HB LEU 156 2HB LEU 156 43.197 27.258 -1.062 1316 HG LEU 156 HG LEU 156 40.933 27.319 0.702 1317 1HD1 LEU 156 3HD1 LEU 156 42.461 29.320 1.486 1318 2HD1 LEU 156 1HD1 LEU 156 41.862 30.086 0.016 1319 3HD1 LEU 156 2HD1 LEU 156 40.729 29.567 1.264 1320 1HD2 LEU 156 3HD2 LEU 156 41.703 28.113 -2.042 1321 2HD2 LEU 156 1HD2 LEU 156 40.244 27.288 -1.485 1322 3HD2 LEU 156 2HD2 LEU 156 40.377 29.045 -1.347 1323 H ILE 157 H ILE 157 43.309 24.143 2.432 1324 HA ILE 157 HA ILE 157 43.378 26.288 4.478 1325 HB ILE 157 HB ILE 157 42.960 24.422 6.128 1326 1HG1 ILE 157 1HG1 ILE 157 42.137 23.031 3.576 1327 2HG1 ILE 157 2HG1 ILE 157 43.473 22.519 4.636 1328 1HG2 ILE 157 1HG2 ILE 157 41.249 25.981 4.514 1329 2HG2 ILE 157 2HG2 ILE 157 40.521 24.378 4.608 1330 3HG2 ILE 157 3HG2 ILE 157 40.890 25.268 6.086 1331 1HD1 ILE 157 3HD1 ILE 157 41.500 22.853 6.423 1332 2HD1 ILE 157 1HD1 ILE 157 40.561 22.324 5.012 1333 3HD1 ILE 157 2HD1 ILE 157 41.853 21.303 5.644 1334 H VAL 158 H VAL 158 44.574 23.729 6.026 1335 HA VAL 158 HA VAL 158 47.237 23.498 5.005 1336 HB VAL 158 HB VAL 158 46.644 25.656 7.001 1337 1HG1 VAL 158 1HG1 VAL 158 48.173 23.872 8.093 1338 2HG1 VAL 158 2HG1 VAL 158 49.369 24.352 6.891 1339 3HG1 VAL 158 3HG1 VAL 158 48.765 25.527 8.058 1340 1HG2 VAL 158 3HG2 VAL 158 48.309 25.241 4.549 1341 2HG2 VAL 158 1HG2 VAL 158 47.246 26.585 4.968 1342 3HG2 VAL 158 2HG2 VAL 158 48.833 26.451 5.720 1343 H ALA 159 H ALA 159 44.918 23.257 7.572 1344 HA ALA 159 HA ALA 159 46.220 20.779 8.540 1345 1HB ALA 159 3HB ALA 159 44.881 22.913 10.210 1346 2HB ALA 159 1HB ALA 159 45.416 21.342 10.807 1347 3HB ALA 159 2HB ALA 159 46.600 22.513 10.229 1348 H PHE 160 H PHE 160 44.771 19.254 9.308 1349 HA PHE 160 HA PHE 160 42.621 18.204 9.519 1350 1HB PHE 160 1HB PHE 160 41.754 20.833 9.012 1351 2HB PHE 160 2HB PHE 160 41.131 19.890 7.654 1352 HD1 PHE 160 HD1 PHE 160 41.800 18.989 11.193 1353 HD2 PHE 160 HD2 PHE 160 38.880 19.450 8.100 1354 HE1 PHE 160 HE1 PHE 160 40.064 18.063 12.712 1355 HE2 PHE 160 HE2 PHE 160 37.129 18.529 9.614 1356 HZ PHE 160 HZ PHE 160 37.723 17.836 11.915 1357 H GLU 161 H GLU 161 43.553 19.949 6.675 1358 HA GLU 161 HA GLU 161 43.415 17.502 5.009 1359 1HB GLU 161 1HB GLU 161 42.138 19.694 4.396 1360 2HB GLU 161 2HB GLU 161 43.733 20.329 3.985 1361 1HG GLU 161 1HG GLU 161 42.917 17.647 2.915 1362 2HG GLU 161 2HG GLU 161 42.284 19.101 2.142 1363 H GLY 162 H GLY 162 45.455 19.639 6.747 1364 1HA GLY 162 1HA GLY 162 47.761 18.806 5.023 1365 2HA GLY 162 2HA GLY 162 47.679 20.378 5.789 1366 H CYS 163 H CYS 163 47.843 20.402 8.233 1367 HA CYS 163 HA CYS 163 49.988 18.788 9.099 1368 1HB CYS 163 1HB CYS 163 48.332 20.883 10.288 1369 2HB CYS 163 2HB CYS 163 49.048 19.759 11.445 1370 HG CYS 163 HG CYS 163 51.314 20.652 10.941 1371 HA PRO 164 HA PRO 164 47.306 16.281 12.055 1372 1HB PRO 164 1HB PRO 164 44.611 16.869 12.152 1373 2HB PRO 164 2HB PRO 164 45.823 17.548 13.254 1374 1HG PRO 164 1HG PRO 164 44.462 18.818 10.922 1375 2HG PRO 164 2HG PRO 164 45.100 19.570 12.389 1376 1HD PRO 164 1HD PRO 164 46.421 19.642 9.919 1377 2HD PRO 164 2HD PRO 164 47.195 19.866 11.490 1378 H VAL 165 H VAL 165 45.542 17.278 9.124 1379 HA VAL 165 HA VAL 165 45.604 14.457 8.248 1380 HB VAL 165 HB VAL 165 42.940 15.031 7.685 1381 1HG1 VAL 165 1HG1 VAL 165 44.209 13.419 9.910 1382 2HG1 VAL 165 2HG1 VAL 165 42.520 13.269 9.414 1383 3HG1 VAL 165 3HG1 VAL 165 43.813 12.856 8.288 1384 1HG2 VAL 165 3HG2 VAL 165 43.593 16.735 9.803 1385 2HG2 VAL 165 1HG2 VAL 165 41.974 16.197 9.372 1386 3HG2 VAL 165 2HG2 VAL 165 42.896 15.327 10.596 No H/Q in entry = 1386 Start of MODEL 20 1 1H THR -8 1H THR -8 3.749 24.499 -13.900 2 2H THR -8 2H THR -8 4.840 23.507 -14.747 3 3H THR -8 3H THR -8 4.030 24.759 -15.555 4 HA THR -8 HA THR -8 2.471 23.321 -16.138 5 HB THR -8 HB THR -8 4.073 21.562 -14.299 6 HG1 THR -8 HG1 THR -8 4.681 21.961 -16.484 7 1HG2 THR -8 1HG2 THR -8 1.310 21.056 -15.370 8 2HG2 THR -8 2HG2 THR -8 2.442 19.717 -15.185 9 3HG2 THR -8 3HG2 THR -8 1.971 20.675 -13.780 10 H MET -7 H MET -7 2.972 23.304 -12.609 11 HA MET -7 HA MET -7 0.505 24.508 -11.971 12 1HB MET -7 1HB MET -7 -0.016 22.000 -12.959 13 2HB MET -7 2HB MET -7 0.087 21.682 -11.228 14 1HG MET -7 1HG MET -7 -1.459 23.716 -10.933 15 2HG MET -7 2HG MET -7 -1.759 23.591 -12.665 16 1HE MET -7 2HE MET -7 -2.234 21.670 -13.830 17 2HE MET -7 3HE MET -7 -3.192 20.282 -13.319 18 3HE MET -7 1HE MET -7 -3.952 21.868 -13.495 19 H ILE -6 H ILE -6 1.947 25.427 -10.429 20 HA ILE -6 HA ILE -6 3.416 23.832 -8.526 21 HB ILE -6 HB ILE -6 2.502 26.719 -8.369 22 1HG1 ILE -6 1HG1 ILE -6 5.332 26.067 -8.882 23 2HG1 ILE -6 2HG1 ILE -6 4.235 25.595 -10.180 24 1HG2 ILE -6 1HG2 ILE -6 3.141 25.636 -6.179 25 2HG2 ILE -6 2HG2 ILE -6 4.742 25.347 -6.862 26 3HG2 ILE -6 3HG2 ILE -6 4.160 26.997 -6.643 27 1HD1 ILE -6 2HD1 ILE -6 4.160 28.343 -8.920 28 2HD1 ILE -6 3HD1 ILE -6 5.166 27.973 -10.320 29 3HD1 ILE -6 1HD1 ILE -6 3.412 27.823 -10.430 30 H THR -5 H THR -5 2.898 23.526 -6.270 31 HA THR -5 HA THR -5 0.189 24.191 -5.355 32 HB THR -5 HB THR -5 0.763 21.338 -4.923 33 HG1 THR -5 HG1 THR -5 0.199 20.775 -7.044 34 1HG2 THR -5 1HG2 THR -5 -1.342 22.508 -4.320 35 2HG2 THR -5 2HG2 THR -5 -1.629 22.828 -6.031 36 3HG2 THR -5 3HG2 THR -5 -1.618 21.169 -5.434 37 HA PRO -4 HA PRO -4 2.815 24.382 -1.765 38 1HB PRO -4 1HB PRO -4 0.904 25.465 -0.109 39 2HB PRO -4 2HB PRO -4 1.837 26.409 -1.283 40 1HG PRO -4 1HG PRO -4 -1.010 25.533 -1.422 41 2HG PRO -4 2HG PRO -4 -0.224 26.923 -2.188 42 1HD PRO -4 1HD PRO -4 -0.894 24.490 -3.467 43 2HD PRO -4 2HD PRO -4 0.177 25.751 -4.112 44 H SER -3 H SER -3 3.138 22.961 -0.063 45 HA SER -3 HA SER -3 0.989 20.947 0.431 46 1HB SER -3 1HB SER -3 3.893 20.677 1.214 47 2HB SER -3 2HB SER -3 2.701 19.400 0.992 48 HG SER -3 HG SER -3 2.666 20.481 -1.275 49 H SER -2 H SER -2 2.027 19.987 2.920 50 HA SER -2 HA SER -2 2.262 22.276 4.733 51 1HB SER -2 1HB SER -2 -0.329 20.977 4.222 52 2HB SER -2 2HB SER -2 0.100 21.075 5.927 53 HG SER -2 HG SER -2 0.555 23.331 5.523 54 H GLY -1 H GLY -1 2.228 21.437 7.099 55 1HA GLY -1 1HA GLY -1 2.817 19.784 8.707 56 2HA GLY -1 2HA GLY -1 2.830 18.579 7.419 57 H ASN 0 H ASN 0 4.926 17.975 8.631 58 HA ASN 0 HA ASN 0 7.201 19.736 8.461 59 1HB ASN 0 1HB ASN 0 7.319 16.710 8.481 60 2HB ASN 0 2HB ASN 0 8.540 17.846 9.068 61 1HD2 ASN 0 2HD2 ASN 0 6.846 18.489 12.146 62 2HD2 ASN 0 1HD2 ASN 0 7.997 19.097 11.057 63 H SER 1 H SER 1 5.685 17.485 6.241 64 HA SER 1 HA SER 1 7.664 16.998 4.348 65 1HB SER 1 1HB SER 1 5.903 16.294 3.116 66 2HB SER 1 2HB SER 1 4.855 16.895 4.397 67 HG SER 1 HG SER 1 4.980 17.754 1.947 68 H ALA 2 H ALA 2 8.562 18.247 2.609 69 HA ALA 2 HA ALA 2 9.343 20.239 1.629 70 1HB ALA 2 2HB ALA 2 6.550 20.479 1.768 71 2HB ALA 2 3HB ALA 2 7.160 21.979 2.469 72 3HB ALA 2 1HB ALA 2 7.640 21.508 0.839 73 H SER 3 H SER 3 9.667 19.509 4.514 74 HA SER 3 HA SER 3 10.732 20.412 6.387 75 1HB SER 3 1HB SER 3 12.360 21.522 5.167 76 2HB SER 3 2HB SER 3 11.183 22.509 4.304 77 HG SER 3 HG SER 3 11.874 23.922 5.746 78 H GLY 4 H GLY 4 9.008 20.540 7.829 79 1HA GLY 4 1HA GLY 4 7.304 22.982 7.740 80 2HA GLY 4 2HA GLY 4 6.967 21.540 8.705 81 H VAL 5 H VAL 5 9.585 21.202 9.766 82 HA VAL 5 HA VAL 5 9.581 22.524 12.185 83 HB VAL 5 HB VAL 5 11.454 21.296 12.350 84 1HG1 VAL 5 2HG1 VAL 5 11.667 21.558 9.335 85 2HG1 VAL 5 3HG1 VAL 5 12.772 20.591 10.313 86 3HG1 VAL 5 1HG1 VAL 5 11.060 20.169 10.239 87 1HG2 VAL 5 1HG2 VAL 5 12.404 23.563 12.428 88 2HG2 VAL 5 2HG2 VAL 5 13.556 22.412 11.745 89 3HG2 VAL 5 3HG2 VAL 5 12.673 23.512 10.684 90 H GLN 6 H GLN 6 10.470 24.389 13.035 91 HA GLN 6 HA GLN 6 10.926 26.566 11.032 92 1HB GLN 6 1HB GLN 6 9.607 27.997 12.487 93 2HB GLN 6 2HB GLN 6 8.689 26.532 12.090 94 1HG GLN 6 1HG GLN 6 10.178 25.695 14.187 95 2HG GLN 6 2HG GLN 6 9.821 27.360 14.665 96 1HE2 GLN 6 2HE2 GLN 6 6.645 24.829 14.046 97 2HE2 GLN 6 1HE2 GLN 6 8.053 24.627 13.126 98 H VAL 7 H VAL 7 13.142 25.216 12.384 99 HA VAL 7 HA VAL 7 14.989 25.722 13.805 100 HB VAL 7 HB VAL 7 14.142 28.523 13.067 101 1HG1 VAL 7 3HG1 VAL 7 16.755 27.189 13.786 102 2HG1 VAL 7 1HG1 VAL 7 16.713 28.722 12.916 103 3HG1 VAL 7 2HG1 VAL 7 16.014 28.605 14.524 104 1HG2 VAL 7 2HG2 VAL 7 14.827 26.274 11.390 105 2HG2 VAL 7 3HG2 VAL 7 14.315 27.894 10.916 106 3HG2 VAL 7 1HG2 VAL 7 16.022 27.562 11.210 107 H ALA 8 H ALA 8 15.656 27.154 15.663 108 HA ALA 8 HA ALA 8 13.373 27.221 17.582 109 1HB ALA 8 2HB ALA 8 15.918 25.957 17.464 110 2HB ALA 8 3HB ALA 8 15.945 27.086 18.825 111 3HB ALA 8 1HB ALA 8 14.707 25.821 18.743 112 H ASP 9 H ASP 9 15.937 29.062 16.200 113 HA ASP 9 HA ASP 9 16.274 31.413 16.369 114 1HB ASP 9 1HB ASP 9 14.910 31.356 19.061 115 2HB ASP 9 2HB ASP 9 15.242 32.743 18.027 116 H GLU 10 H GLU 10 16.692 28.950 18.746 117 HA GLU 10 HA GLU 10 18.823 30.216 20.224 118 1HB GLU 10 1HB GLU 10 18.210 28.410 21.486 119 2HB GLU 10 2HB GLU 10 17.496 27.587 20.103 120 1HG GLU 10 1HG GLU 10 19.350 26.244 20.843 121 2HG GLU 10 2HG GLU 10 19.846 27.028 19.343 122 H VAL 11 H VAL 11 18.383 28.982 17.085 123 HA VAL 11 HA VAL 11 21.097 28.081 16.589 124 HB VAL 11 HB VAL 11 20.440 28.241 14.197 125 1HG1 VAL 11 1HG1 VAL 11 19.373 26.570 16.212 126 2HG1 VAL 11 2HG1 VAL 11 18.037 26.969 15.134 127 3HG1 VAL 11 3HG1 VAL 11 19.498 26.224 14.484 128 1HG2 VAL 11 3HG2 VAL 11 18.890 30.275 14.813 129 2HG2 VAL 11 1HG2 VAL 11 18.414 29.181 13.514 130 3HG2 VAL 11 2HG2 VAL 11 17.690 29.020 15.112 131 H CYS 12 H CYS 12 19.334 31.078 16.587 132 HA CYS 12 HA CYS 12 21.345 32.629 15.192 133 1HB CYS 12 1HB CYS 12 18.878 33.222 16.226 134 2HB CYS 12 2HB CYS 12 19.920 33.912 17.473 135 HG CYS 12 HG CYS 12 20.248 35.807 15.922 136 H ARG 13 H ARG 13 21.435 30.803 18.016 137 HA ARG 13 HA ARG 13 23.654 32.407 19.204 138 1HB ARG 13 1HB ARG 13 22.632 30.090 20.719 139 2HB ARG 13 2HB ARG 13 23.001 31.716 21.281 140 1HG ARG 13 1HG ARG 13 20.573 31.409 19.560 141 2HG ARG 13 2HG ARG 13 20.486 30.774 21.199 142 1HD ARG 13 1HD ARG 13 21.470 33.567 20.582 143 2HD ARG 13 2HD ARG 13 19.781 33.203 20.943 144 HE ARG 13 HE ARG 13 21.331 33.736 23.004 145 1HH1 ARG 13 1HH2 ARG 13 19.099 31.688 23.334 146 2HH1 ARG 13 2HH2 ARG 13 19.949 30.382 24.088 147 1HH2 ARG 13 1HH1 ARG 13 23.088 31.594 23.258 148 2HH2 ARG 13 2HH1 ARG 13 22.207 30.328 24.046 149 H ILE 14 H ILE 14 22.671 29.515 17.580 150 HA ILE 14 HA ILE 14 25.025 28.032 18.350 151 HB ILE 14 HB ILE 14 23.174 27.590 16.001 152 1HG1 ILE 14 1HG1 ILE 14 23.038 26.064 18.591 153 2HG1 ILE 14 2HG1 ILE 14 22.128 27.561 18.354 154 1HG2 ILE 14 2HG2 ILE 14 25.611 26.302 16.810 155 2HG2 ILE 14 3HG2 ILE 14 24.294 25.159 17.096 156 3HG2 ILE 14 1HG2 ILE 14 24.535 25.847 15.488 157 1HD1 ILE 14 1HD1 ILE 14 21.516 26.342 16.033 158 2HD1 ILE 14 2HD1 ILE 14 21.782 24.914 17.025 159 3HD1 ILE 14 3HD1 ILE 14 20.571 26.099 17.501 160 H PHE 15 H PHE 15 23.953 29.391 15.226 161 HA PHE 15 HA PHE 15 26.474 29.188 13.947 162 1HB PHE 15 1HB PHE 15 25.213 30.168 12.323 163 2HB PHE 15 2HB PHE 15 23.990 30.632 13.522 164 HD1 PHE 15 HD2 PHE 15 27.195 31.607 11.955 165 HD2 PHE 15 HD1 PHE 15 23.961 32.783 14.508 166 HE1 PHE 15 HE2 PHE 15 28.035 33.947 11.941 167 HE2 PHE 15 HE1 PHE 15 24.794 35.102 14.517 168 HZ PHE 15 HZ PHE 15 26.832 35.701 13.223 169 H TYR 16 H TYR 16 25.236 31.266 16.376 170 HA TYR 16 HA TYR 16 27.372 33.235 16.299 171 1HB TYR 16 1HB TYR 16 25.377 34.150 17.019 172 2HB TYR 16 2HB TYR 16 24.866 32.606 17.771 173 HD1 TYR 16 HD1 TYR 16 27.297 35.422 18.110 174 HD2 TYR 16 HD2 TYR 16 25.312 32.131 19.984 175 HE1 TYR 16 HE1 TYR 16 28.302 36.043 20.278 176 HE2 TYR 16 HE2 TYR 16 26.291 32.734 22.123 177 HH TYR 16 HH TYR 16 27.511 34.238 23.257 178 H ASP 17 H ASP 17 26.721 30.227 17.938 179 HA ASP 17 HA ASP 17 28.112 30.758 20.390 180 1HB ASP 17 1HB ASP 17 26.988 28.399 19.022 181 2HB ASP 17 2HB ASP 17 28.371 28.046 20.059 182 H MET 18 H MET 18 29.249 30.544 17.296 183 HA MET 18 HA MET 18 31.825 29.413 18.084 184 1HB MET 18 1HB MET 18 30.604 29.846 15.425 185 2HB MET 18 2HB MET 18 32.257 29.263 15.662 186 1HG MET 18 1HG MET 18 30.896 27.289 15.544 187 2HG MET 18 2HG MET 18 31.301 27.513 17.233 188 1HE MET 18 3HE MET 18 29.650 25.758 17.133 189 2HE MET 18 1HE MET 18 29.026 26.505 18.615 190 3HE MET 18 2HE MET 18 27.913 25.975 17.345 191 H LYS 19 H LYS 19 32.752 30.966 15.476 192 HA LYS 19 HA LYS 19 33.883 32.939 14.976 193 1HB LYS 19 1HB LYS 19 31.928 34.051 16.956 194 2HB LYS 19 2HB LYS 19 33.012 35.005 15.945 195 1HG LYS 19 1HG LYS 19 31.165 32.979 14.690 196 2HG LYS 19 2HG LYS 19 30.558 34.582 15.106 197 1HD LYS 19 1HD LYS 19 32.320 35.622 13.740 198 2HD LYS 19 2HD LYS 19 32.965 34.027 13.345 199 1HE LYS 19 1HE LYS 19 31.269 33.552 11.879 200 2HE LYS 19 2HE LYS 19 30.069 34.440 12.816 201 1HZ LYS 19 1HZ LYS 19 32.040 36.204 11.817 202 2HZ LYS 19 2HZ LYS 19 31.384 35.293 10.541 203 3HZ LYS 19 3HZ LYS 19 30.366 36.211 11.545 204 H VAL 20 H VAL 20 34.109 31.601 18.027 205 HA VAL 20 HA VAL 20 35.422 32.104 19.924 206 HB VAL 20 HB VAL 20 36.998 31.164 18.340 207 1HG1 VAL 20 1HG1 VAL 20 37.096 34.012 17.307 208 2HG1 VAL 20 2HG1 VAL 20 38.232 32.753 16.814 209 3HG1 VAL 20 3HG1 VAL 20 36.509 32.592 16.443 210 1HG2 VAL 20 1HG2 VAL 20 37.636 32.864 20.444 211 2HG2 VAL 20 2HG2 VAL 20 38.763 31.769 19.636 212 3HG2 VAL 20 3HG2 VAL 20 38.651 33.454 19.126 213 H ARG 21 H ARG 21 33.879 34.567 18.782 214 HA ARG 21 HA ARG 21 35.799 36.627 19.779 215 1HB ARG 21 1HB ARG 21 33.854 36.620 17.602 216 2HB ARG 21 2HB ARG 21 33.612 37.981 18.699 217 1HG ARG 21 1HG ARG 21 36.435 37.602 18.224 218 2HG ARG 21 2HG ARG 21 35.583 37.742 16.686 219 1HD ARG 21 1HD ARG 21 35.884 39.985 17.134 220 2HD ARG 21 2HD ARG 21 34.357 39.734 17.980 221 HE ARG 21 HE ARG 21 35.520 40.280 19.943 222 1HH1 ARG 21 1HH2 ARG 21 37.883 40.398 17.657 223 2HH1 ARG 21 2HH2 ARG 21 39.168 39.804 18.656 224 1HH2 ARG 21 1HH1 ARG 21 37.077 38.853 21.250 225 2HH2 ARG 21 2HH1 ARG 21 38.713 38.931 20.686 226 H LYS 22 H LYS 22 34.226 34.774 21.365 227 HA LYS 22 HA LYS 22 32.870 36.786 23.079 228 1HB LYS 22 1HB LYS 22 31.571 34.217 22.103 229 2HB LYS 22 2HB LYS 22 30.917 35.249 23.377 230 1HG LYS 22 1HG LYS 22 29.818 36.277 21.671 231 2HG LYS 22 2HG LYS 22 31.366 37.076 21.394 232 1HD LYS 22 1HD LYS 22 31.827 34.816 20.012 233 2HD LYS 22 2HD LYS 22 30.071 34.873 19.858 234 1HE LYS 22 1HE LYS 22 30.768 37.488 19.372 235 2HE LYS 22 2HE LYS 22 32.115 36.610 18.651 236 1HZ LYS 22 1HZ LYS 22 30.428 35.204 17.513 237 2HZ LYS 22 2HZ LYS 22 29.231 36.272 18.064 238 3HZ LYS 22 3HZ LYS 22 30.442 36.825 17.009 239 H CYS 23 H CYS 23 34.638 36.453 24.540 240 HA CYS 23 HA CYS 23 34.386 34.003 26.150 241 1HB CYS 23 1HB CYS 23 37.164 34.259 25.733 242 2HB CYS 23 2HB CYS 23 36.115 32.921 25.282 243 HG CYS 23 HG CYS 23 37.421 34.353 23.223 244 H SER 24 H SER 24 34.085 35.019 28.091 245 HA SER 24 HA SER 24 34.961 37.427 29.130 246 1HB SER 24 1HB SER 24 34.139 34.900 30.141 247 2HB SER 24 2HB SER 24 35.612 35.331 31.012 248 HG SER 24 HG SER 24 33.361 36.146 31.713 249 H THR 25 H THR 25 36.533 34.478 29.615 250 HA THR 25 HA THR 25 39.204 35.485 28.885 251 HB THR 25 HB THR 25 38.755 35.328 31.501 252 HG1 THR 25 HG1 THR 25 40.814 35.409 30.263 253 1HG2 THR 25 1HG2 THR 25 37.660 33.136 31.289 254 2HG2 THR 25 2HG2 THR 25 39.181 32.460 30.681 255 3HG2 THR 25 3HG2 THR 25 39.079 33.054 32.344 256 HA PRO 26 HA PRO 26 37.862 32.076 26.512 257 1HB PRO 26 1HB PRO 26 40.088 31.933 24.859 258 2HB PRO 26 2HB PRO 26 38.757 33.089 24.665 259 1HG PRO 26 1HG PRO 26 41.495 33.536 25.786 260 2HG PRO 26 2HG PRO 26 40.422 34.681 24.959 261 1HD PRO 26 1HD PRO 26 40.797 34.544 27.756 262 2HD PRO 26 2HD PRO 26 39.438 35.343 26.940 263 H GLU 27 H GLU 27 40.419 31.974 28.669 264 HA GLU 27 HA GLU 27 41.568 29.368 28.000 265 1HB GLU 27 1HB GLU 27 41.710 31.286 30.291 266 2HB GLU 27 2HB GLU 27 42.396 29.669 30.451 267 1HG GLU 27 1HG GLU 27 43.252 30.645 27.933 268 2HG GLU 27 2HG GLU 27 43.501 31.959 29.084 269 H GLU 28 H GLU 28 38.603 30.113 28.979 270 HA GLU 28 HA GLU 28 38.180 27.529 30.346 271 1HB GLU 28 1HB GLU 28 37.037 28.471 32.221 272 2HB GLU 28 2HB GLU 28 38.487 29.461 32.053 273 1HG GLU 28 1HG GLU 28 37.105 31.038 30.614 274 2HG GLU 28 2HG GLU 28 35.684 30.134 31.141 275 H ILE 29 H ILE 29 37.175 30.260 28.634 276 HA ILE 29 HA ILE 29 34.556 30.142 28.064 277 HB ILE 29 HB ILE 29 37.052 30.979 27.055 278 1HG1 ILE 29 1HG1 ILE 29 35.938 33.050 27.061 279 2HG1 ILE 29 2HG1 ILE 29 34.352 32.313 26.831 280 1HG2 ILE 29 2HG2 ILE 29 34.811 30.303 25.217 281 2HG2 ILE 29 3HG2 ILE 29 36.145 31.368 24.773 282 3HG2 ILE 29 1HG2 ILE 29 36.465 29.696 25.215 283 1HD1 ILE 29 1HD1 ILE 29 35.978 31.598 29.209 284 2HD1 ILE 29 2HD1 ILE 29 35.194 33.174 29.188 285 3HD1 ILE 29 3HD1 ILE 29 34.224 31.707 29.055 286 H LYS 30 H LYS 30 37.175 28.132 26.771 287 HA LYS 30 HA LYS 30 35.843 26.946 24.598 288 1HB LYS 30 1HB LYS 30 37.265 24.929 25.188 289 2HB LYS 30 2HB LYS 30 38.176 26.428 25.070 290 1HG LYS 30 1HG LYS 30 38.041 26.688 27.525 291 2HG LYS 30 2HG LYS 30 37.153 25.168 27.627 292 1HD LYS 30 1HD LYS 30 39.026 23.923 27.380 293 2HD LYS 30 2HD LYS 30 39.658 24.967 26.106 294 1HE LYS 30 1HE LYS 30 40.713 26.395 27.610 295 2HE LYS 30 2HE LYS 30 39.605 25.993 28.922 296 1HZ LYS 30 3HZ LYS 30 40.873 23.637 28.207 297 2HZ LYS 30 1HZ LYS 30 42.093 24.817 28.288 298 3HZ LYS 30 2HZ LYS 30 41.095 24.538 29.631 299 H LYS 31 H LYS 31 35.756 26.480 27.967 300 HA LYS 31 HA LYS 31 33.739 24.313 27.897 301 1HB LYS 31 1HB LYS 31 35.719 25.221 29.762 302 2HB LYS 31 2HB LYS 31 34.141 25.315 30.542 303 1HG LYS 31 1HG LYS 31 33.719 23.011 30.239 304 2HG LYS 31 2HG LYS 31 34.974 22.856 29.010 305 1HD LYS 31 1HD LYS 31 36.688 23.369 30.754 306 2HD LYS 31 2HD LYS 31 35.406 23.379 31.965 307 1HE LYS 31 1HE LYS 31 36.387 21.187 32.017 308 2HE LYS 31 2HE LYS 31 34.823 21.027 31.217 309 1HZ LYS 31 3HZ LYS 31 36.906 21.670 29.378 310 2HZ LYS 31 1HZ LYS 31 37.243 20.236 30.218 311 3HZ LYS 31 2HZ LYS 31 35.794 20.388 29.344 312 H ARG 32 H ARG 32 32.972 26.890 26.823 313 HA ARG 32 HA ARG 32 30.794 27.573 28.731 314 1HB ARG 32 1HB ARG 32 32.625 29.397 27.201 315 2HB ARG 32 2HB ARG 32 31.011 29.933 27.644 316 1HG ARG 32 1HG ARG 32 32.431 30.667 29.421 317 2HG ARG 32 2HG ARG 32 31.583 29.253 30.045 318 1HD ARG 32 1HD ARG 32 33.941 28.329 28.728 319 2HD ARG 32 2HD ARG 32 34.425 29.656 29.788 320 HE ARG 32 HE ARG 32 33.932 27.131 30.775 321 1HH1 ARG 32 1HH1 ARG 32 34.031 30.025 32.133 322 2HH1 ARG 32 2HH1 ARG 32 32.735 29.823 33.264 323 1HH2 ARG 32 1HH2 ARG 32 31.531 26.931 31.779 324 2HH2 ARG 32 2HH2 ARG 32 31.321 28.074 33.063 325 H LYS 33 H LYS 33 31.481 26.235 25.894 326 HA LYS 33 HA LYS 33 29.654 25.434 24.451 327 1HB LYS 33 1HB LYS 33 28.014 26.989 25.524 328 2HB LYS 33 2HB LYS 33 28.674 28.295 24.539 329 1HG LYS 33 1HG LYS 33 27.921 27.320 22.527 330 2HG LYS 33 2HG LYS 33 27.722 25.733 23.269 331 1HD LYS 33 1HD LYS 33 26.117 27.965 24.414 332 2HD LYS 33 2HD LYS 33 25.637 27.368 22.825 333 1HE LYS 33 1HE LYS 33 24.701 25.549 23.758 334 2HE LYS 33 2HE LYS 33 26.230 25.130 24.530 335 1HZ LYS 33 2HZ LYS 33 24.246 27.073 25.584 336 2HZ LYS 33 3HZ LYS 33 24.468 25.486 26.151 337 3HZ LYS 33 1HZ LYS 33 25.706 26.631 26.334 338 H LYS 34 H LYS 34 30.326 25.183 22.368 339 HA LYS 34 HA LYS 34 31.358 27.493 20.828 340 1HB LYS 34 1HB LYS 34 33.079 25.062 21.230 341 2HB LYS 34 2HB LYS 34 33.510 26.536 20.375 342 1HG LYS 34 1HG LYS 34 32.833 26.426 23.316 343 2HG LYS 34 2HG LYS 34 34.476 26.358 22.690 344 1HD LYS 34 1HD LYS 34 34.419 28.550 21.892 345 2HD LYS 34 2HD LYS 34 32.655 28.587 21.834 346 1HE LYS 34 1HE LYS 34 32.833 28.244 24.423 347 2HE LYS 34 2HE LYS 34 34.474 28.849 24.206 348 1HZ LYS 34 1HZ LYS 34 31.990 30.224 23.333 349 2HZ LYS 34 2HZ LYS 34 32.925 30.640 24.689 350 3HZ LYS 34 3HZ LYS 34 33.572 30.812 23.130 351 H ALA 35 H ALA 35 30.599 24.077 20.981 352 HA ALA 35 HA ALA 35 30.011 24.062 18.086 353 1HB ALA 35 2HB ALA 35 31.999 22.629 18.928 354 2HB ALA 35 3HB ALA 35 30.773 21.635 19.705 355 3HB ALA 35 1HB ALA 35 30.772 21.803 17.958 356 H VAL 36 H VAL 36 28.309 22.392 17.636 357 HA VAL 36 HA VAL 36 26.625 21.498 19.823 358 HB VAL 36 HB VAL 36 24.766 23.039 18.767 359 1HG1 VAL 36 3HG1 VAL 36 25.636 22.888 21.196 360 2HG1 VAL 36 1HG1 VAL 36 26.586 24.311 20.784 361 3HG1 VAL 36 2HG1 VAL 36 24.826 24.363 20.691 362 1HG2 VAL 36 1HG2 VAL 36 27.320 24.604 18.458 363 2HG2 VAL 36 2HG2 VAL 36 26.219 24.116 17.161 364 3HG2 VAL 36 3HG2 VAL 36 25.708 25.295 18.375 365 H ILE 37 H ILE 37 24.950 20.102 19.172 366 HA ILE 37 HA ILE 37 24.478 19.860 16.245 367 HB ILE 37 HB ILE 37 24.527 17.856 18.474 368 1HG1 ILE 37 1HG1 ILE 37 25.161 17.105 15.705 369 2HG1 ILE 37 2HG1 ILE 37 26.188 18.384 16.358 370 1HG2 ILE 37 3HG2 ILE 37 22.823 17.846 15.981 371 2HG2 ILE 37 1HG2 ILE 37 23.190 16.385 16.916 372 3HG2 ILE 37 2HG2 ILE 37 22.298 17.711 17.668 373 1HD1 ILE 37 2HD1 ILE 37 26.310 16.865 18.466 374 2HD1 ILE 37 3HD1 ILE 37 25.825 15.570 17.358 375 3HD1 ILE 37 1HD1 ILE 37 27.319 16.474 17.072 376 H PHE 38 H PHE 38 22.032 19.442 15.849 377 HA PHE 38 HA PHE 38 20.272 20.270 18.105 378 1HB PHE 38 1HB PHE 38 21.092 21.835 15.683 379 2HB PHE 38 2HB PHE 38 19.399 21.933 16.148 380 HD1 PHE 38 HD2 PHE 38 22.883 22.311 17.686 381 HD2 PHE 38 HD1 PHE 38 18.748 23.421 17.682 382 HE1 PHE 38 HE2 PHE 38 23.330 24.007 19.429 383 HE2 PHE 38 HE1 PHE 38 19.187 25.125 19.403 384 HZ PHE 38 HZ PHE 38 21.486 25.420 20.293 385 H CYS 39 H CYS 39 18.081 19.233 17.789 386 HA CYS 39 HA CYS 39 17.455 18.498 14.977 387 1HB CYS 39 1HB CYS 39 16.901 16.160 15.480 388 2HB CYS 39 2HB CYS 39 18.608 16.499 15.769 389 HG CYS 39 HG CYS 39 17.269 16.931 18.365 390 H LEU 40 H LEU 40 15.716 20.048 15.292 391 HA LEU 40 HA LEU 40 13.516 20.618 15.758 392 1HB LEU 40 1HB LEU 40 13.688 17.786 14.982 393 2HB LEU 40 2HB LEU 40 12.119 18.430 15.448 394 HG LEU 40 HG LEU 40 12.121 20.028 13.759 395 1HD1 LEU 40 1HD1 LEU 40 15.115 19.697 13.612 396 2HD1 LEU 40 2HD1 LEU 40 14.172 20.764 12.575 397 3HD1 LEU 40 3HD1 LEU 40 14.251 21.073 14.317 398 1HD2 LEU 40 3HD2 LEU 40 13.335 17.446 12.934 399 2HD2 LEU 40 1HD2 LEU 40 11.856 18.217 12.363 400 3HD2 LEU 40 2HD2 LEU 40 13.422 18.750 11.751 401 H SER 41 H SER 41 12.289 21.154 17.305 402 HA SER 41 HA SER 41 12.631 20.586 19.991 403 1HB SER 41 1HB SER 41 10.858 21.978 20.336 404 2HB SER 41 2HB SER 41 11.144 22.334 18.636 405 HG SER 41 HG SER 41 8.927 21.590 19.543 406 H ALA 42 H ALA 42 10.037 19.984 20.982 407 HA ALA 42 HA ALA 42 10.137 17.077 20.974 408 1HB ALA 42 3HB ALA 42 9.214 18.967 22.744 409 2HB ALA 42 1HB ALA 42 7.712 18.350 22.060 410 3HB ALA 42 2HB ALA 42 8.845 17.244 22.835 411 H ASP 43 H ASP 43 8.828 15.672 19.840 412 HA ASP 43 HA ASP 43 7.108 14.947 18.391 413 1HB ASP 43 1HB ASP 43 6.080 17.791 18.313 414 2HB ASP 43 2HB ASP 43 5.190 16.299 18.012 415 H LYS 44 H LYS 44 9.506 17.116 17.840 416 HA LYS 44 HA LYS 44 10.710 17.563 15.922 417 1HB LYS 44 1HB LYS 44 8.942 15.506 15.031 418 2HB LYS 44 2HB LYS 44 8.990 16.771 13.800 419 1HG LYS 44 1HG LYS 44 10.782 15.044 13.500 420 2HG LYS 44 2HG LYS 44 11.420 16.672 13.722 421 1HD LYS 44 1HD LYS 44 12.727 15.717 15.330 422 2HD LYS 44 2HD LYS 44 11.263 15.784 16.321 423 1HE LYS 44 1HE LYS 44 10.651 13.506 15.355 424 2HE LYS 44 2HE LYS 44 12.284 13.445 14.691 425 1HZ LYS 44 2HZ LYS 44 11.781 13.980 17.555 426 2HZ LYS 44 3HZ LYS 44 11.913 12.399 16.953 427 3HZ LYS 44 1HZ LYS 44 13.222 13.474 16.814 428 H LYS 45 H LYS 45 10.847 19.454 14.960 429 HA LYS 45 HA LYS 45 9.457 21.113 13.506 430 1HB LYS 45 1HB LYS 45 8.066 20.781 16.113 431 2HB LYS 45 2HB LYS 45 8.171 22.415 15.398 432 1HG LYS 45 1HG LYS 45 7.051 21.740 13.422 433 2HG LYS 45 2HG LYS 45 7.266 20.027 13.790 434 1HD LYS 45 1HD LYS 45 4.989 20.489 14.340 435 2HD LYS 45 2HD LYS 45 5.838 20.481 15.889 436 1HE LYS 45 1HE LYS 45 6.133 22.999 15.589 437 2HE LYS 45 2HE LYS 45 4.971 22.882 14.268 438 1HZ LYS 45 2HZ LYS 45 3.508 21.700 15.958 439 2HZ LYS 45 3HZ LYS 45 4.559 22.324 17.137 440 3HZ LYS 45 1HZ LYS 45 3.696 23.380 16.128 441 H CYS 46 H CYS 46 10.836 22.766 13.452 442 HA CYS 46 HA CYS 46 12.013 24.651 14.228 443 1HB CYS 46 1HB CYS 46 11.839 23.468 17.023 444 2HB CYS 46 2HB CYS 46 12.150 25.147 16.561 445 HG CYS 46 HG CYS 46 9.412 24.217 15.592 446 H ILE 47 H ILE 47 14.082 24.185 13.443 447 HA ILE 47 HA ILE 47 15.764 22.054 14.116 448 HB ILE 47 HB ILE 47 16.020 24.450 12.744 449 1HG1 ILE 47 1HG1 ILE 47 18.594 23.557 12.856 450 2HG1 ILE 47 2HG1 ILE 47 17.715 22.130 13.404 451 1HG2 ILE 47 1HG2 ILE 47 16.473 25.519 14.926 452 2HG2 ILE 47 2HG2 ILE 47 17.883 24.473 15.123 453 3HG2 ILE 47 3HG2 ILE 47 17.828 25.649 13.800 454 1HD1 ILE 47 2HD1 ILE 47 16.133 22.964 11.344 455 2HD1 ILE 47 3HD1 ILE 47 17.742 23.419 10.750 456 3HD1 ILE 47 1HD1 ILE 47 17.408 21.731 11.212 457 H ILE 48 H ILE 48 16.831 21.627 16.134 458 HA ILE 48 HA ILE 48 16.937 23.739 18.165 459 HB ILE 48 HB ILE 48 14.545 22.751 17.822 460 1HG1 ILE 48 1HG1 ILE 48 15.964 23.747 20.077 461 2HG1 ILE 48 2HG1 ILE 48 14.221 23.790 19.796 462 1HG2 ILE 48 2HG2 ILE 48 15.283 20.434 17.814 463 2HG2 ILE 48 3HG2 ILE 48 15.873 20.599 19.465 464 3HG2 ILE 48 1HG2 ILE 48 14.159 20.745 19.126 465 1HD1 ILE 48 2HD1 ILE 48 15.640 21.341 20.886 466 2HD1 ILE 48 3HD1 ILE 48 14.951 22.588 21.931 467 3HD1 ILE 48 1HD1 ILE 48 13.905 21.664 20.854 468 H VAL 49 H VAL 49 17.122 22.201 20.407 469 HA VAL 49 HA VAL 49 19.321 20.302 19.782 470 HB VAL 49 HB VAL 49 18.760 22.068 22.172 471 1HG1 VAL 49 3HG1 VAL 49 20.384 19.577 21.966 472 2HG1 VAL 49 1HG1 VAL 49 21.030 20.907 22.927 473 3HG1 VAL 49 2HG1 VAL 49 19.464 20.204 23.333 474 1HG2 VAL 49 1HG2 VAL 49 20.475 22.226 19.879 475 2HG2 VAL 49 2HG2 VAL 49 20.250 23.408 21.168 476 3HG2 VAL 49 3HG2 VAL 49 21.464 22.136 21.337 477 H GLU 50 H GLU 50 18.658 18.111 20.251 478 HA GLU 50 HA GLU 50 16.672 17.749 22.418 479 1HB GLU 50 1HB GLU 50 15.947 18.010 19.675 480 2HB GLU 50 2HB GLU 50 15.597 16.359 20.192 481 1HG GLU 50 1HG GLU 50 14.783 18.736 21.865 482 2HG GLU 50 2HG GLU 50 13.753 18.122 20.569 483 H GLU 51 H GLU 51 18.868 16.521 22.962 484 HA GLU 51 HA GLU 51 18.293 13.810 23.049 485 1HB GLU 51 1HB GLU 51 18.916 12.932 21.068 486 2HB GLU 51 2HB GLU 51 18.964 14.602 20.502 487 1HG GLU 51 1HG GLU 51 21.104 13.812 19.987 488 2HG GLU 51 2HG GLU 51 21.316 14.688 21.497 489 H GLY 52 H GLY 52 20.664 16.254 22.964 490 1HA GLY 52 1HA GLY 52 22.245 16.584 24.788 491 2HA GLY 52 2HA GLY 52 22.191 14.848 25.094 492 H LYS 53 H LYS 53 23.282 17.237 22.697 493 HA LYS 53 HA LYS 53 25.553 15.437 22.009 494 1HB LYS 53 1HB LYS 53 24.121 17.295 20.084 495 2HB LYS 53 2HB LYS 53 25.268 16.011 19.687 496 1HG LYS 53 1HG LYS 53 23.010 14.994 21.189 497 2HG LYS 53 2HG LYS 53 22.480 15.809 19.718 498 1HD LYS 53 1HD LYS 53 22.895 13.546 19.083 499 2HD LYS 53 2HD LYS 53 24.286 14.467 18.505 500 1HE LYS 53 1HE LYS 53 25.713 13.431 19.950 501 2HE LYS 53 2HE LYS 53 24.571 13.552 21.289 502 1HZ LYS 53 3HZ LYS 53 23.684 11.720 19.289 503 2HZ LYS 53 1HZ LYS 53 25.209 11.286 19.900 504 3HZ LYS 53 2HZ LYS 53 23.892 11.479 20.956 505 H GLU 54 H GLU 54 26.246 17.704 20.102 506 HA GLU 54 HA GLU 54 27.202 19.836 20.090 507 1HB GLU 54 1HB GLU 54 26.019 21.208 21.391 508 2HB GLU 54 2HB GLU 54 25.525 19.892 22.428 509 1HG GLU 54 1HG GLU 54 27.617 20.061 23.698 510 2HG GLU 54 2HG GLU 54 28.205 21.331 22.620 511 H ILE 55 H ILE 55 29.221 20.476 20.278 512 HA ILE 55 HA ILE 55 30.968 19.328 22.395 513 HB ILE 55 HB ILE 55 31.229 19.600 19.511 514 1HG1 ILE 55 1HG1 ILE 55 32.894 18.276 21.639 515 2HG1 ILE 55 2HG1 ILE 55 31.515 17.528 20.798 516 1HG2 ILE 55 2HG2 ILE 55 32.645 21.581 20.332 517 2HG2 ILE 55 3HG2 ILE 55 33.631 20.380 21.190 518 3HG2 ILE 55 1HG2 ILE 55 33.496 20.324 19.433 519 1HD1 ILE 55 2HD1 ILE 55 33.020 18.770 18.845 520 2HD1 ILE 55 3HD1 ILE 55 34.198 17.944 19.869 521 3HD1 ILE 55 1HD1 ILE 55 32.881 17.047 19.129 522 H LEU 56 H LEU 56 32.825 21.156 22.611 523 HA LEU 56 HA LEU 56 31.946 23.812 21.944 524 1HB LEU 56 1HB LEU 56 32.172 24.292 24.610 525 2HB LEU 56 2HB LEU 56 30.642 24.069 23.762 526 HG LEU 56 HG LEU 56 30.718 21.666 24.220 527 1HD1 LEU 56 1HD1 LEU 56 33.280 21.727 24.276 528 2HD1 LEU 56 2HD1 LEU 56 33.118 22.254 25.948 529 3HD1 LEU 56 3HD1 LEU 56 32.491 20.681 25.456 530 1HD2 LEU 56 2HD2 LEU 56 30.078 23.673 25.935 531 2HD2 LEU 56 3HD2 LEU 56 29.816 21.966 26.293 532 3HD2 LEU 56 1HD2 LEU 56 31.256 22.782 26.905 533 H VAL 57 H VAL 57 34.323 22.012 21.692 534 HA VAL 57 HA VAL 57 36.603 22.277 21.683 535 HB VAL 57 HB VAL 57 37.409 24.311 21.348 536 1HG1 VAL 57 2HG1 VAL 57 34.542 24.305 20.863 537 2HG1 VAL 57 3HG1 VAL 57 35.203 25.930 21.051 538 3HG1 VAL 57 1HG1 VAL 57 35.863 24.850 19.834 539 1HG2 VAL 57 3HG2 VAL 57 35.992 25.130 23.831 540 2HG2 VAL 57 1HG2 VAL 57 37.650 25.420 23.344 541 3HG2 VAL 57 2HG2 VAL 57 36.351 26.390 22.666 542 H GLY 58 H GLY 58 35.198 23.697 24.662 543 1HA GLY 58 1HA GLY 58 37.463 23.445 26.306 544 2HA GLY 58 2HA GLY 58 35.797 23.335 26.891 545 H ASP 59 H ASP 59 34.844 21.138 25.576 546 HA ASP 59 HA ASP 59 35.865 18.952 27.065 547 1HB ASP 59 1HB ASP 59 34.282 19.095 24.488 548 2HB ASP 59 2HB ASP 59 34.778 17.550 25.185 549 H VAL 60 H VAL 60 36.314 19.769 23.594 550 HA VAL 60 HA VAL 60 38.167 17.980 22.725 551 HB VAL 60 HB VAL 60 37.806 20.877 22.324 552 1HG1 VAL 60 2HG1 VAL 60 40.477 19.549 21.972 553 2HG1 VAL 60 3HG1 VAL 60 39.968 20.817 20.856 554 3HG1 VAL 60 1HG1 VAL 60 40.110 21.164 22.576 555 1HG2 VAL 60 1HG2 VAL 60 37.766 18.354 20.829 556 2HG2 VAL 60 2HG2 VAL 60 36.841 19.834 20.565 557 3HG2 VAL 60 3HG2 VAL 60 38.481 19.692 19.931 558 H GLY 61 H GLY 61 39.379 17.026 24.316 559 1HA GLY 61 1HA GLY 61 41.928 17.418 24.857 560 2HA GLY 61 2HA GLY 61 41.261 18.680 25.890 561 H VAL 62 H VAL 62 38.893 16.555 25.990 562 HA VAL 62 HA VAL 62 40.082 14.893 28.176 563 HB VAL 62 HB VAL 62 37.306 15.031 28.556 564 1HG1 VAL 62 1HG1 VAL 62 39.629 15.347 30.036 565 2HG1 VAL 62 2HG1 VAL 62 38.856 16.926 30.176 566 3HG1 VAL 62 3HG1 VAL 62 37.990 15.473 30.677 567 1HG2 VAL 62 2HG2 VAL 62 38.474 17.707 27.782 568 2HG2 VAL 62 3HG2 VAL 62 37.001 16.942 27.181 569 3HG2 VAL 62 1HG2 VAL 62 37.061 17.572 28.827 570 H THR 63 H THR 63 36.839 14.836 26.822 571 HA THR 63 HA THR 63 37.109 12.038 26.045 572 HB THR 63 HB THR 63 34.975 14.154 25.818 573 HG1 THR 63 HG1 THR 63 33.940 12.837 27.182 574 1HG2 THR 63 2HG2 THR 63 35.082 11.500 24.374 575 2HG2 THR 63 3HG2 THR 63 33.580 12.378 24.660 576 3HG2 THR 63 1HG2 THR 63 34.849 13.100 23.673 577 H ILE 64 H ILE 64 37.928 15.095 24.804 578 HA ILE 64 HA ILE 64 38.258 13.900 22.089 579 HB ILE 64 HB ILE 64 37.781 16.546 21.571 580 1HG1 ILE 64 1HG1 ILE 64 36.041 15.657 23.898 581 2HG1 ILE 64 2HG1 ILE 64 37.098 17.064 23.856 582 1HG2 ILE 64 1HG2 ILE 64 36.776 14.173 20.818 583 2HG2 ILE 64 2HG2 ILE 64 35.445 14.715 21.851 584 3HG2 ILE 64 3HG2 ILE 64 35.938 15.686 20.460 585 1HD1 ILE 64 3HD1 ILE 64 35.194 17.000 21.625 586 2HD1 ILE 64 1HD1 ILE 64 34.400 17.053 23.198 587 3HD1 ILE 64 2HD1 ILE 64 35.552 18.309 22.745 588 H THR 65 H THR 65 39.503 16.217 20.945 589 HA THR 65 HA THR 65 41.601 17.219 22.646 590 HB THR 65 HB THR 65 43.195 15.699 20.900 591 HG1 THR 65 HG1 THR 65 42.475 13.585 21.492 592 1HG2 THR 65 2HG2 THR 65 43.529 16.459 23.322 593 2HG2 THR 65 3HG2 THR 65 42.595 15.037 23.786 594 3HG2 THR 65 1HG2 THR 65 44.120 14.847 22.921 595 H ASP 66 H ASP 66 39.778 18.132 20.502 596 HA ASP 66 HA ASP 66 40.164 20.072 19.185 597 1HB ASP 66 1HB ASP 66 42.621 19.781 20.003 598 2HB ASP 66 2HB ASP 66 42.874 19.161 18.369 599 HA PRO 67 HA PRO 67 40.497 17.424 15.245 600 1HB PRO 67 1HB PRO 67 39.522 14.865 15.547 601 2HB PRO 67 2HB PRO 67 41.233 15.265 15.702 602 1HG PRO 67 1HG PRO 67 39.252 14.664 17.855 603 2HG PRO 67 2HG PRO 67 41.000 14.376 17.820 604 1HD PRO 67 1HD PRO 67 39.726 16.512 19.142 605 2HD PRO 67 2HD PRO 67 41.453 16.407 18.748 606 H PHE 68 H PHE 68 37.978 15.326 15.431 607 HA PHE 68 HA PHE 68 35.818 17.091 16.212 608 1HB PHE 68 1HB PHE 68 35.205 18.001 14.217 609 2HB PHE 68 2HB PHE 68 36.887 17.689 13.772 610 HD1 PHE 68 HD1 PHE 68 37.376 15.184 13.151 611 HD2 PHE 68 HD2 PHE 68 33.575 17.120 12.811 612 HE1 PHE 68 HE1 PHE 68 36.652 13.450 11.586 613 HE2 PHE 68 HE2 PHE 68 32.839 15.386 11.215 614 HZ PHE 68 HZ PHE 68 34.373 13.535 10.593 615 H LYS 69 H LYS 69 36.965 14.133 14.692 616 HA LYS 69 HA LYS 69 34.635 12.742 14.019 617 1HB LYS 69 1HB LYS 69 35.868 10.741 14.366 618 2HB LYS 69 2HB LYS 69 37.094 11.950 13.967 619 1HG LYS 69 1HG LYS 69 37.456 12.337 16.400 620 2HG LYS 69 2HG LYS 69 36.318 11.037 16.747 621 1HD LYS 69 1HD LYS 69 39.095 10.899 15.780 622 2HD LYS 69 2HD LYS 69 38.168 9.738 16.731 623 1HE LYS 69 1HE LYS 69 36.923 9.082 14.686 624 2HE LYS 69 2HE LYS 69 37.905 10.203 13.743 625 1HZ LYS 69 1HZ LYS 69 39.807 8.828 14.963 626 2HZ LYS 69 2HZ LYS 69 38.610 7.623 14.885 627 3HZ LYS 69 3HZ LYS 69 39.155 8.367 13.462 628 H HIS 70 H HIS 70 36.030 13.075 17.334 629 HA HIS 70 HA HIS 70 34.223 11.461 18.722 630 1HB HIS 70 1HB HIS 70 35.376 12.458 20.372 631 2HB HIS 70 2HB HIS 70 35.743 13.851 19.344 632 HD1 HIS 70 HD1 HIS 70 32.923 12.490 21.490 633 HD2 HIS 70 HD2 HIS 70 34.150 16.055 19.763 634 HE1 HIS 70 HE1 HIS 70 31.401 14.296 22.377 635 H PHE 71 H PHE 71 33.773 14.786 17.586 636 HA PHE 71 HA PHE 71 31.108 15.123 18.476 637 1HB PHE 71 1HB PHE 71 32.024 17.150 17.823 638 2HB PHE 71 2HB PHE 71 32.908 16.449 16.486 639 HD1 PHE 71 HD1 PHE 71 31.447 15.639 14.467 640 HD2 PHE 71 HD2 PHE 71 30.132 18.387 17.505 641 HE1 PHE 71 HE1 PHE 71 29.701 16.506 12.934 642 HE2 PHE 71 HE2 PHE 71 28.383 19.225 15.987 643 HZ PHE 71 HZ PHE 71 28.170 18.296 13.692 644 H VAL 72 H VAL 72 32.451 13.695 15.497 645 HA VAL 72 HA VAL 72 29.966 13.369 14.147 646 HB VAL 72 HB VAL 72 31.074 11.836 12.768 647 1HG1 VAL 72 1HG1 VAL 72 33.079 13.774 13.835 648 2HG1 VAL 72 2HG1 VAL 72 33.362 12.782 12.410 649 3HG1 VAL 72 3HG1 VAL 72 32.046 13.954 12.420 650 1HG2 VAL 72 2HG2 VAL 72 32.166 10.765 15.106 651 2HG2 VAL 72 3HG2 VAL 72 32.339 10.145 13.471 652 3HG2 VAL 72 1HG2 VAL 72 33.529 11.268 14.121 653 H GLY 73 H GLY 73 31.515 11.815 16.731 654 1HA GLY 73 1HA GLY 73 29.925 9.419 16.894 655 2HA GLY 73 2HA GLY 73 30.874 10.112 18.220 656 H MET 74 H MET 74 29.725 12.737 18.127 657 HA MET 74 HA MET 74 27.341 12.342 19.715 658 1HB MET 74 1HB MET 74 28.293 14.841 18.268 659 2HB MET 74 2HB MET 74 27.110 14.783 19.577 660 1HG MET 74 1HG MET 74 28.915 13.715 21.013 661 2HG MET 74 2HG MET 74 30.061 14.117 19.734 662 1HE MET 74 3HE MET 74 29.441 16.315 18.464 663 2HE MET 74 1HE MET 74 29.579 17.878 19.295 664 3HE MET 74 2HE MET 74 30.957 16.750 19.279 665 H LEU 75 H LEU 75 28.068 12.265 16.422 666 HA LEU 75 HA LEU 75 25.263 12.750 15.607 667 1HB LEU 75 1HB LEU 75 27.664 12.284 13.808 668 2HB LEU 75 2HB LEU 75 26.126 12.994 13.377 669 HG LEU 75 HG LEU 75 28.116 14.237 15.264 670 1HD1 LEU 75 2HD1 LEU 75 27.720 14.307 12.344 671 2HD1 LEU 75 3HD1 LEU 75 27.781 15.902 13.097 672 3HD1 LEU 75 1HD1 LEU 75 29.125 14.780 13.298 673 1HD2 LEU 75 1HD2 LEU 75 25.737 14.791 15.728 674 2HD2 LEU 75 2HD2 LEU 75 26.635 16.183 15.120 675 3HD2 LEU 75 3HD2 LEU 75 25.548 15.297 14.052 676 HA PRO 76 HA PRO 76 25.766 8.129 15.651 677 1HB PRO 76 1HB PRO 76 23.219 7.590 16.511 678 2HB PRO 76 2HB PRO 76 24.576 7.910 17.605 679 1HG PRO 76 1HG PRO 76 22.301 9.695 16.859 680 2HG PRO 76 2HG PRO 76 23.252 9.652 18.352 681 1HD PRO 76 1HD PRO 76 23.572 11.525 16.278 682 2HD PRO 76 2HD PRO 76 24.742 11.188 17.567 683 H GLU 77 H GLU 77 23.642 6.553 14.885 684 HA GLU 77 HA GLU 77 23.109 7.538 12.131 685 1HB GLU 77 1HB GLU 77 22.594 4.732 13.077 686 2HB GLU 77 2HB GLU 77 23.003 5.294 11.454 687 1HG GLU 77 1HG GLU 77 25.274 5.777 12.118 688 2HG GLU 77 2HG GLU 77 24.896 5.463 13.811 689 H LYS 78 H LYS 78 21.633 6.948 15.136 690 HA LYS 78 HA LYS 78 18.936 6.627 13.970 691 1HB LYS 78 1HB LYS 78 18.261 5.795 16.035 692 2HB LYS 78 2HB LYS 78 19.944 5.280 15.975 693 1HG LYS 78 1HG LYS 78 19.043 7.864 17.269 694 2HG LYS 78 2HG LYS 78 19.243 6.360 18.154 695 1HD LYS 78 1HD LYS 78 21.395 7.880 16.653 696 2HD LYS 78 2HD LYS 78 21.272 7.663 18.395 697 1HE LYS 78 1HE LYS 78 21.166 5.060 17.364 698 2HE LYS 78 2HE LYS 78 22.412 5.866 16.414 699 1HZ LYS 78 3HZ LYS 78 22.763 6.658 19.050 700 2HZ LYS 78 1HZ LYS 78 22.532 4.978 19.086 701 3HZ LYS 78 2HZ LYS 78 23.769 5.644 18.129 702 H ASP 79 H ASP 79 20.616 9.280 14.201 703 HA ASP 79 HA ASP 79 18.280 10.913 14.750 704 1HB ASP 79 1HB ASP 79 20.057 10.346 16.926 705 2HB ASP 79 2HB ASP 79 20.259 12.040 16.478 706 H CYS 80 H CYS 80 18.430 12.457 13.254 707 HA CYS 80 HA CYS 80 20.889 12.946 11.822 708 1HB CYS 80 1HB CYS 80 18.953 13.286 10.517 709 2HB CYS 80 2HB CYS 80 18.145 14.195 11.793 710 HG CYS 80 HG CYS 80 20.334 15.337 9.895 711 H ARG 81 H ARG 81 19.002 15.623 13.047 712 HA ARG 81 HA ARG 81 19.590 17.365 14.478 713 1HB ARG 81 1HB ARG 81 22.137 16.044 15.273 714 2HB ARG 81 2HB ARG 81 21.015 16.970 16.242 715 1HG ARG 81 1HG ARG 81 19.405 14.973 16.001 716 2HG ARG 81 2HG ARG 81 20.801 14.086 15.397 717 1HD ARG 81 1HD ARG 81 21.063 13.626 17.637 718 2HD ARG 81 2HD ARG 81 21.945 15.149 17.569 719 HE ARG 81 HE ARG 81 19.270 14.752 18.761 720 1HH1 ARG 81 1HH1 ARG 81 19.564 17.299 17.103 721 2HH1 ARG 81 2HH1 ARG 81 19.993 18.442 18.319 722 1HH2 ARG 81 1HH2 ARG 81 20.750 16.081 20.676 723 2HH2 ARG 81 2HH2 ARG 81 20.679 17.760 20.311 724 H TYR 82 H TYR 82 20.307 19.147 13.257 725 HA TYR 82 HA TYR 82 22.589 18.971 11.526 726 1HB TYR 82 1HB TYR 82 21.096 21.301 12.727 727 2HB TYR 82 2HB TYR 82 22.487 21.515 11.669 728 HD1 TYR 82 HD2 TYR 82 21.991 19.145 9.872 729 HD2 TYR 82 HD1 TYR 82 19.393 22.197 11.335 730 HE1 TYR 82 HE2 TYR 82 20.561 18.855 7.873 731 HE2 TYR 82 HE1 TYR 82 17.929 21.915 9.341 732 HH TYR 82 HH TYR 82 18.308 21.028 6.897 733 H ALA 83 H ALA 83 24.351 21.019 12.137 734 HA ALA 83 HA ALA 83 24.865 21.183 14.938 735 1HB ALA 83 3HB ALA 83 25.358 18.821 14.702 736 2HB ALA 83 1HB ALA 83 26.602 19.191 13.520 737 3HB ALA 83 2HB ALA 83 26.789 19.735 15.183 738 H LEU 84 H LEU 84 25.969 22.959 15.270 739 HA LEU 84 HA LEU 84 28.002 23.900 13.339 740 1HB LEU 84 1HB LEU 84 26.316 25.355 15.343 741 2HB LEU 84 2HB LEU 84 27.725 26.093 14.612 742 HG LEU 84 HG LEU 84 25.203 25.167 13.260 743 1HD1 LEU 84 1HD1 LEU 84 25.531 27.539 14.189 744 2HD1 LEU 84 2HD1 LEU 84 26.752 27.735 12.930 745 3HD1 LEU 84 3HD1 LEU 84 25.077 27.421 12.490 746 1HD2 LEU 84 3HD2 LEU 84 27.906 25.782 12.057 747 2HD2 LEU 84 1HD2 LEU 84 27.024 24.258 11.976 748 3HD2 LEU 84 2HD2 LEU 84 26.411 25.677 11.124 749 H TYR 85 H TYR 85 29.878 23.107 13.936 750 HA TYR 85 HA TYR 85 30.539 23.142 16.815 751 1HB TYR 85 1HB TYR 85 30.728 20.924 16.288 752 2HB TYR 85 2HB TYR 85 31.074 21.257 14.593 753 HD1 TYR 85 HD2 TYR 85 32.511 21.181 18.011 754 HD2 TYR 85 HD1 TYR 85 33.310 21.524 13.781 755 HE1 TYR 85 HE2 TYR 85 34.937 20.863 18.450 756 HE2 TYR 85 HE1 TYR 85 35.732 21.181 14.235 757 HH TYR 85 HH TYR 85 36.936 20.292 17.392 758 H ASP 86 H ASP 86 32.027 24.578 17.442 759 HA ASP 86 HA ASP 86 33.353 26.384 15.734 760 1HB ASP 86 1HB ASP 86 33.591 25.567 18.541 761 2HB ASP 86 2HB ASP 86 35.133 26.073 17.846 762 H ALA 87 H ALA 87 34.268 25.313 13.935 763 HA ALA 87 HA ALA 87 36.050 23.049 14.230 764 1HB ALA 87 3HB ALA 87 34.821 24.398 12.091 765 2HB ALA 87 1HB ALA 87 36.562 24.575 11.832 766 3HB ALA 87 2HB ALA 87 35.849 22.967 11.994 767 H SER 88 H SER 88 38.022 23.213 15.181 768 HA SER 88 HA SER 88 39.459 25.812 14.940 769 1HB SER 88 1HB SER 88 39.978 23.382 16.677 770 2HB SER 88 2HB SER 88 40.999 24.816 16.629 771 HG SER 88 HG SER 88 39.599 25.797 17.846 772 H PHE 89 H PHE 89 40.228 25.649 12.843 773 HA PHE 89 HA PHE 89 42.345 23.586 12.401 774 1HB PHE 89 1HB PHE 89 41.561 23.167 10.169 775 2HB PHE 89 2HB PHE 89 40.159 23.001 11.236 776 HD1 PHE 89 HD1 PHE 89 38.480 24.791 11.404 777 HD2 PHE 89 HD2 PHE 89 41.774 25.069 8.661 778 HE1 PHE 89 HE1 PHE 89 37.342 26.635 10.224 779 HE2 PHE 89 HE2 PHE 89 40.629 26.919 7.479 780 HZ PHE 89 HZ PHE 89 38.419 27.704 8.264 781 H GLU 90 H GLU 90 43.970 24.259 10.883 782 HA GLU 90 HA GLU 90 44.090 27.211 10.543 783 1HB GLU 90 1HB GLU 90 46.252 25.106 10.287 784 2HB GLU 90 2HB GLU 90 46.484 26.830 9.960 785 1HG GLU 90 1HG GLU 90 46.438 27.394 12.165 786 2HG GLU 90 2HG GLU 90 45.209 26.191 12.553 787 H THR 91 H THR 91 45.079 27.889 8.413 788 HA THR 91 HA THR 91 44.421 26.018 6.241 789 HB THR 91 HB THR 91 42.355 27.095 6.230 790 HG1 THR 91 HG1 THR 91 42.540 28.032 4.378 791 1HG2 THR 91 3HG2 THR 91 42.964 28.442 8.215 792 2HG2 THR 91 1HG2 THR 91 43.750 29.632 7.155 793 3HG2 THR 91 2HG2 THR 91 42.004 29.352 7.052 794 H LYS 92 H LYS 92 44.952 27.642 3.990 795 HA LYS 92 HA LYS 92 47.706 28.301 4.170 796 1HB LYS 92 1HB LYS 92 45.557 29.542 2.408 797 2HB LYS 92 2HB LYS 92 47.294 29.679 2.135 798 1HG LYS 92 1HG LYS 92 45.924 26.992 2.321 799 2HG LYS 92 2HG LYS 92 46.037 27.869 0.795 800 1HD LYS 92 1HD LYS 92 48.444 27.857 0.876 801 2HD LYS 92 2HD LYS 92 48.440 27.229 2.525 802 1HE LYS 92 1HE LYS 92 47.618 25.107 1.825 803 2HE LYS 92 2HE LYS 92 47.174 25.720 0.233 804 1HZ LYS 92 3HZ LYS 92 49.964 25.634 1.235 805 2HZ LYS 92 1HZ LYS 92 49.267 24.401 0.295 806 3HZ LYS 92 2HZ LYS 92 49.447 25.965 -0.346 807 H GLU 93 H GLU 93 44.763 29.798 5.183 808 HA GLU 93 HA GLU 93 45.840 32.427 5.718 809 1HB GLU 93 1HB GLU 93 43.445 31.432 7.184 810 2HB GLU 93 2HB GLU 93 43.712 32.991 6.403 811 1HG GLU 93 1HG GLU 93 43.707 31.621 4.187 812 2HG GLU 93 2HG GLU 93 42.911 30.379 5.151 813 H SER 94 H SER 94 45.372 29.443 7.448 814 HA SER 94 HA SER 94 46.957 28.770 9.195 815 1HB SER 94 1HB SER 94 46.468 31.585 10.105 816 2HB SER 94 2HB SER 94 47.442 30.392 10.955 817 HG SER 94 HG SER 94 48.971 31.267 9.764 818 H ARG 95 H ARG 95 46.269 29.327 11.838 819 HA ARG 95 HA ARG 95 43.832 27.980 12.163 820 1HB ARG 95 1HB ARG 95 44.454 27.963 14.349 821 2HB ARG 95 2HB ARG 95 45.958 28.694 13.789 822 1HG ARG 95 1HG ARG 95 45.268 30.204 15.423 823 2HG ARG 95 2HG ARG 95 44.608 30.927 13.963 824 1HD ARG 95 1HD ARG 95 42.474 29.793 14.368 825 2HD ARG 95 2HD ARG 95 43.124 29.120 15.856 826 HE ARG 95 HE ARG 95 42.993 31.291 16.865 827 1HH1 ARG 95 1HH2 ARG 95 43.968 32.968 14.627 828 2HH1 ARG 95 2HH2 ARG 95 42.541 33.819 14.138 829 1HH2 ARG 95 1HH1 ARG 95 40.375 31.659 15.771 830 2HH2 ARG 95 2HH1 ARG 95 40.505 33.077 14.786 831 H LYS 96 H LYS 96 41.905 28.782 12.137 832 HA LYS 96 HA LYS 96 41.322 31.647 12.484 833 1HB LYS 96 1HB LYS 96 40.672 30.205 9.897 834 2HB LYS 96 2HB LYS 96 40.227 31.861 10.287 835 1HG LYS 96 1HG LYS 96 43.112 30.964 10.242 836 2HG LYS 96 2HG LYS 96 42.293 31.529 8.798 837 1HD LYS 96 1HD LYS 96 41.851 33.305 11.067 838 2HD LYS 96 2HD LYS 96 43.563 33.136 10.671 839 1HE LYS 96 1HE LYS 96 43.331 34.155 8.643 840 2HE LYS 96 2HE LYS 96 41.750 33.430 8.351 841 1HZ LYS 96 3HZ LYS 96 42.082 35.490 10.433 842 2HZ LYS 96 1HZ LYS 96 41.906 35.945 8.805 843 3HZ LYS 96 2HZ LYS 96 40.685 35.051 9.578 844 H GLU 97 H GLU 97 40.604 28.820 13.446 845 HA GLU 97 HA GLU 97 38.651 27.485 13.638 846 1HB GLU 97 1HB GLU 97 39.215 29.082 15.626 847 2HB GLU 97 2HB GLU 97 37.661 29.804 15.178 848 1HG GLU 97 1HG GLU 97 36.581 27.628 15.276 849 2HG GLU 97 2HG GLU 97 38.140 26.870 15.640 850 H GLU 98 H GLU 98 37.203 27.101 12.129 851 HA GLU 98 HA GLU 98 35.121 29.157 11.698 852 1HB GLU 98 1HB GLU 98 35.757 29.521 9.606 853 2HB GLU 98 2HB GLU 98 37.133 28.454 9.853 854 1HG GLU 98 1HG GLU 98 35.942 26.572 9.022 855 2HG GLU 98 2HG GLU 98 34.407 27.431 9.091 856 H LEU 99 H LEU 99 33.573 28.146 12.744 857 HA LEU 99 HA LEU 99 32.990 25.360 12.846 858 1HB LEU 99 1HB LEU 99 31.235 25.960 14.142 859 2HB LEU 99 2HB LEU 99 32.028 27.532 14.117 860 HG LEU 99 HG LEU 99 29.792 26.627 12.279 861 1HD1 LEU 99 2HD1 LEU 99 29.108 27.184 14.587 862 2HD1 LEU 99 3HD1 LEU 99 29.915 28.735 14.474 863 3HD1 LEU 99 1HD1 LEU 99 28.516 28.397 13.460 864 1HD2 LEU 99 3HD2 LEU 99 31.840 28.509 11.844 865 2HD2 LEU 99 1HD2 LEU 99 30.348 28.330 10.900 866 3HD2 LEU 99 2HD2 LEU 99 30.414 29.453 12.275 867 H MET 100 H MET 100 30.817 24.456 12.019 868 HA MET 100 HA MET 100 30.193 25.355 9.244 869 1HB MET 100 1HB MET 100 31.411 22.724 9.955 870 2HB MET 100 2HB MET 100 30.886 23.227 8.340 871 1HG MET 100 1HG MET 100 32.424 25.180 8.526 872 2HG MET 100 2HG MET 100 33.052 24.498 10.024 873 1HE MET 100 2HE MET 100 32.814 21.592 9.665 874 2HE MET 100 3HE MET 100 31.867 21.705 8.175 875 3HE MET 100 1HE MET 100 33.408 20.823 8.179 876 H PHE 101 H PHE 101 28.019 25.175 9.073 877 HA PHE 101 HA PHE 101 26.140 23.822 10.562 878 1HB PHE 101 1HB PHE 101 25.959 25.097 8.250 879 2HB PHE 101 2HB PHE 101 26.064 23.475 7.603 880 HD1 PHE 101 HD1 PHE 101 24.550 23.527 10.822 881 HD2 PHE 101 HD2 PHE 101 23.812 24.105 6.650 882 HE1 PHE 101 HE1 PHE 101 22.141 23.130 11.195 883 HE2 PHE 101 HE2 PHE 101 21.387 23.729 7.021 884 HZ PHE 101 HZ PHE 101 20.557 23.209 9.294 885 H PHE 102 H PHE 102 25.414 21.627 10.717 886 HA PHE 102 HA PHE 102 26.998 19.728 9.053 887 1HB PHE 102 1HB PHE 102 26.878 19.876 11.964 888 2HB PHE 102 2HB PHE 102 26.444 18.280 11.348 889 HD1 PHE 102 HD2 PHE 102 28.015 17.178 9.623 890 HD2 PHE 102 HD1 PHE 102 29.096 20.608 11.983 891 HE1 PHE 102 HE2 PHE 102 30.433 16.782 9.117 892 HE2 PHE 102 HE1 PHE 102 31.487 20.206 11.499 893 HZ PHE 102 HZ PHE 102 32.158 18.291 10.060 894 H LEU 103 H LEU 103 25.541 18.865 7.720 895 HA LEU 103 HA LEU 103 22.732 18.671 8.476 896 1HB LEU 103 1HB LEU 103 23.931 17.621 5.936 897 2HB LEU 103 2HB LEU 103 22.369 18.397 6.183 898 HG LEU 103 HG LEU 103 25.104 19.682 6.108 899 1HD1 LEU 103 3HD1 LEU 103 23.175 19.505 4.201 900 2HD1 LEU 103 1HD1 LEU 103 22.730 21.021 4.982 901 3HD1 LEU 103 2HD1 LEU 103 24.342 20.818 4.301 902 1HD2 LEU 103 1HD2 LEU 103 22.829 20.378 7.833 903 2HD2 LEU 103 2HD2 LEU 103 24.508 20.903 7.917 904 3HD2 LEU 103 3HD2 LEU 103 23.385 21.714 6.823 905 H TRP 104 H TRP 104 23.824 17.300 10.233 906 HA TRP 104 HA TRP 104 24.871 14.768 9.813 907 1HB TRP 104 1HB TRP 104 24.649 15.778 12.082 908 2HB TRP 104 2HB TRP 104 22.921 15.376 12.056 909 HD1 TRP 104 HD1 TRP 104 23.294 13.565 14.107 910 HE1 TRP 104 HE1 TRP 104 24.116 11.145 14.017 911 HE3 TRP 104 HE3 TRP 104 25.708 13.521 9.546 912 HZ2 TRP 104 HZ2 TRP 104 25.702 9.438 12.282 913 HZ3 TRP 104 HZ3 TRP 104 26.814 11.560 8.766 914 HH2 TRP 104 HH2 TRP 104 26.832 9.489 10.116 915 H ALA 105 H ALA 105 23.739 13.867 7.960 916 HA ALA 105 HA ALA 105 21.028 12.792 8.536 917 1HB ALA 105 3HB ALA 105 22.174 13.892 6.176 918 2HB ALA 105 1HB ALA 105 21.999 12.161 5.881 919 3HB ALA 105 2HB ALA 105 20.594 13.127 6.338 920 HA PRO 106 HA PRO 106 23.570 9.210 9.398 921 1HB PRO 106 1HB PRO 106 21.590 7.804 10.658 922 2HB PRO 106 2HB PRO 106 22.559 9.064 11.438 923 1HG PRO 106 1HG PRO 106 19.735 9.170 10.534 924 2HG PRO 106 2HG PRO 106 20.534 10.109 11.796 925 1HD PRO 106 1HD PRO 106 19.939 11.028 9.170 926 2HD PRO 106 2HD PRO 106 21.007 11.831 10.341 927 H GLU 107 H GLU 107 21.340 9.586 7.106 928 HA GLU 107 HA GLU 107 20.610 8.284 5.292 929 1HB GLU 107 1HB GLU 107 23.200 7.425 5.952 930 2HB GLU 107 2HB GLU 107 22.259 5.949 5.729 931 1HG GLU 107 1HG GLU 107 21.477 6.755 3.545 932 2HG GLU 107 2HG GLU 107 22.375 8.256 3.767 933 H LEU 108 H LEU 108 20.235 7.201 8.471 934 HA LEU 108 HA LEU 108 18.374 5.055 7.589 935 1HB LEU 108 1HB LEU 108 19.376 3.568 8.951 936 2HB LEU 108 2HB LEU 108 20.734 4.695 8.974 937 HG LEU 108 HG LEU 108 19.433 5.884 10.867 938 1HD1 LEU 108 1HD1 LEU 108 17.605 3.918 10.150 939 2HD1 LEU 108 2HD1 LEU 108 18.286 3.329 11.673 940 3HD1 LEU 108 3HD1 LEU 108 17.534 4.926 11.600 941 1HD2 LEU 108 2HD2 LEU 108 21.516 4.317 10.925 942 2HD2 LEU 108 3HD2 LEU 108 20.672 4.661 12.434 943 3HD2 LEU 108 1HD2 LEU 108 20.398 3.131 11.597 944 H ALA 109 H ALA 109 18.994 7.824 9.566 945 HA ALA 109 HA ALA 109 17.213 7.771 11.640 946 1HB ALA 109 1HB ALA 109 18.207 9.877 9.843 947 2HB ALA 109 2HB ALA 109 16.648 10.262 10.574 948 3HB ALA 109 3HB ALA 109 18.043 9.885 11.601 949 HA PRO 110 HA PRO 110 13.124 7.451 10.201 950 1HB PRO 110 1HB PRO 110 11.847 9.484 11.570 951 2HB PRO 110 2HB PRO 110 12.342 7.949 12.306 952 1HG PRO 110 1HG PRO 110 13.633 10.643 12.526 953 2HG PRO 110 2HG PRO 110 13.583 9.323 13.708 954 1HD PRO 110 1HD PRO 110 15.792 9.919 12.105 955 2HD PRO 110 2HD PRO 110 15.502 8.343 12.868 956 H LEU 111 H LEU 111 11.944 8.174 8.437 957 HA LEU 111 HA LEU 111 12.961 9.963 6.581 958 1HB LEU 111 1HB LEU 111 10.314 8.777 7.102 959 2HB LEU 111 2HB LEU 111 10.276 10.263 6.151 960 HG LEU 111 HG LEU 111 12.332 9.021 4.932 961 1HD1 LEU 111 1HD1 LEU 111 11.762 7.057 6.602 962 2HD1 LEU 111 2HD1 LEU 111 10.485 6.712 5.435 963 3HD1 LEU 111 3HD1 LEU 111 12.173 6.699 4.923 964 1HD2 LEU 111 2HD2 LEU 111 10.015 9.889 4.099 965 2HD2 LEU 111 3HD2 LEU 111 10.839 8.650 3.151 966 3HD2 LEU 111 1HD2 LEU 111 9.518 8.201 4.232 967 H LYS 112 H LYS 112 10.858 10.733 9.304 968 HA LYS 112 HA LYS 112 10.028 13.293 8.660 969 1HB LYS 112 1HB LYS 112 10.488 13.777 11.209 970 2HB LYS 112 2HB LYS 112 9.259 12.606 10.738 971 1HG LYS 112 1HG LYS 112 10.352 11.009 11.881 972 2HG LYS 112 2HG LYS 112 11.763 11.236 10.848 973 1HD LYS 112 1HD LYS 112 11.231 13.153 13.103 974 2HD LYS 112 2HD LYS 112 12.019 11.605 13.419 975 1HE LYS 112 1HE LYS 112 13.625 12.191 11.528 976 2HE LYS 112 2HE LYS 112 12.959 13.827 11.601 977 1HZ LYS 112 1HZ LYS 112 13.839 12.577 14.098 978 2HZ LYS 112 2HZ LYS 112 15.031 13.130 13.026 979 3HZ LYS 112 3HZ LYS 112 13.869 14.211 13.632 980 H SER 113 H SER 113 13.317 12.430 9.790 981 HA SER 113 HA SER 113 14.073 15.296 9.615 982 1HB SER 113 1HB SER 113 15.338 14.597 11.366 983 2HB SER 113 2HB SER 113 15.151 12.900 10.934 984 HG SER 113 HG SER 113 16.960 12.973 9.856 985 H LYS 114 H LYS 114 14.452 12.294 7.864 986 HA LYS 114 HA LYS 114 16.588 13.285 6.143 987 1HB LYS 114 1HB LYS 114 14.796 11.031 5.328 988 2HB LYS 114 2HB LYS 114 16.550 11.172 5.195 989 1HG LYS 114 1HG LYS 114 16.442 11.188 7.839 990 2HG LYS 114 2HG LYS 114 14.891 10.391 7.576 991 1HD LYS 114 1HD LYS 114 17.485 9.456 6.317 992 2HD LYS 114 2HD LYS 114 16.843 8.804 7.825 993 1HE LYS 114 1HE LYS 114 14.722 8.239 6.604 994 2HE LYS 114 2HE LYS 114 15.509 8.736 5.104 995 1HZ LYS 114 2HZ LYS 114 16.744 6.741 6.897 996 2HZ LYS 114 3HZ LYS 114 15.593 6.282 5.735 997 3HZ LYS 114 1HZ LYS 114 17.043 7.016 5.247 998 H MET 115 H MET 115 13.289 13.863 6.367 999 HA MET 115 HA MET 115 13.033 14.623 3.475 1000 1HB MET 115 1HB MET 115 10.837 14.436 5.542 1001 2HB MET 115 2HB MET 115 10.663 14.513 3.785 1002 1HG MET 115 1HG MET 115 12.352 12.272 4.544 1003 2HG MET 115 2HG MET 115 10.779 12.170 5.336 1004 1HE MET 115 3HE MET 115 8.874 13.213 4.176 1005 2HE MET 115 1HE MET 115 8.953 13.757 2.503 1006 3HE MET 115 2HE MET 115 8.184 12.215 2.899 1007 H ILE 116 H ILE 116 12.713 15.655 6.818 1008 HA ILE 116 HA ILE 116 11.536 18.149 6.293 1009 HB ILE 116 HB ILE 116 12.896 16.647 8.444 1010 1HG1 ILE 116 1HG1 ILE 116 10.832 16.666 9.476 1011 2HG1 ILE 116 2HG1 ILE 116 10.366 18.210 8.770 1012 1HG2 ILE 116 3HG2 ILE 116 12.659 19.581 8.277 1013 2HG2 ILE 116 1HG2 ILE 116 12.419 18.794 9.842 1014 3HG2 ILE 116 2HG2 ILE 116 13.919 18.551 8.953 1015 1HD1 ILE 116 1HD1 ILE 116 10.634 15.619 7.222 1016 2HD1 ILE 116 2HD1 ILE 116 9.105 16.276 7.804 1017 3HD1 ILE 116 3HD1 ILE 116 10.036 17.156 6.594 1018 H TYR 117 H TYR 117 14.663 17.162 7.451 1019 HA TYR 117 HA TYR 117 15.977 19.640 7.467 1020 1HB TYR 117 1HB TYR 117 16.860 16.797 7.118 1021 2HB TYR 117 2HB TYR 117 18.041 18.122 7.112 1022 HD1 TYR 117 HD1 TYR 117 16.841 19.979 9.082 1023 HD2 TYR 117 HD2 TYR 117 17.171 15.703 9.154 1024 HE1 TYR 117 HE1 TYR 117 16.715 20.013 11.558 1025 HE2 TYR 117 HE2 TYR 117 17.042 15.731 11.630 1026 HH TYR 117 HH TYR 117 17.437 17.265 13.472 1027 H ALA 118 H ALA 118 15.259 17.384 4.984 1028 HA ALA 118 HA ALA 118 16.826 18.035 2.820 1029 1HB ALA 118 1HB ALA 118 14.276 16.915 3.347 1030 2HB ALA 118 2HB ALA 118 14.063 18.084 2.036 1031 3HB ALA 118 3HB ALA 118 15.226 16.767 1.860 1032 H SER 119 H SER 119 13.913 19.784 3.947 1033 HA SER 119 HA SER 119 14.829 22.134 2.331 1034 1HB SER 119 1HB SER 119 12.144 21.154 3.207 1035 2HB SER 119 2HB SER 119 12.380 22.881 2.950 1036 HG SER 119 HG SER 119 11.935 21.051 1.129 1037 H SER 120 H SER 120 14.940 20.945 5.403 1038 HA SER 120 HA SER 120 14.342 23.427 6.859 1039 1HB SER 120 1HB SER 120 14.527 20.768 7.627 1040 2HB SER 120 2HB SER 120 16.016 21.467 8.262 1041 HG SER 120 HG SER 120 14.291 21.695 9.732 1042 H LYS 121 H LYS 121 16.971 21.995 5.237 1043 HA LYS 121 HA LYS 121 19.036 23.655 6.495 1044 1HB LYS 121 1HB LYS 121 18.923 21.373 4.717 1045 2HB LYS 121 2HB LYS 121 20.068 22.600 4.174 1046 1HG LYS 121 1HG LYS 121 21.427 22.310 5.966 1047 2HG LYS 121 2HG LYS 121 20.076 22.020 7.084 1048 1HD LYS 121 1HD LYS 121 21.648 20.005 6.436 1049 2HD LYS 121 2HD LYS 121 19.921 19.741 6.416 1050 1HE LYS 121 1HE LYS 121 21.076 20.737 3.889 1051 2HE LYS 121 2HE LYS 121 21.492 19.085 4.344 1052 1HZ LYS 121 3HZ LYS 121 18.801 19.361 4.859 1053 2HZ LYS 121 1HZ LYS 121 19.046 20.076 3.338 1054 3HZ LYS 121 2HZ LYS 121 19.522 18.470 3.604 1055 H ASP 122 H ASP 122 17.778 25.372 6.025 1056 HA ASP 122 HA ASP 122 18.606 27.119 3.959 1057 1HB ASP 122 1HB ASP 122 16.973 25.380 2.765 1058 2HB ASP 122 2HB ASP 122 15.721 26.320 3.586 1059 H ALA 123 H ALA 123 16.052 25.931 5.994 1060 HA ALA 123 HA ALA 123 15.021 28.517 6.857 1061 1HB ALA 123 2HB ALA 123 13.903 26.182 6.962 1062 2HB ALA 123 3HB ALA 123 14.932 25.908 8.374 1063 3HB ALA 123 1HB ALA 123 13.735 27.211 8.391 1064 H ILE 124 H ILE 124 17.115 25.999 8.188 1065 HA ILE 124 HA ILE 124 17.989 27.287 10.538 1066 HB ILE 124 HB ILE 124 18.458 24.944 10.022 1067 1HG1 ILE 124 1HG1 ILE 124 21.195 25.976 9.927 1068 2HG1 ILE 124 2HG1 ILE 124 20.180 26.785 11.120 1069 1HG2 ILE 124 3HG2 ILE 124 18.818 25.672 7.513 1070 2HG2 ILE 124 1HG2 ILE 124 20.517 25.793 8.014 1071 3HG2 ILE 124 2HG2 ILE 124 19.649 24.256 8.149 1072 1HD1 ILE 124 3HD1 ILE 124 20.199 23.787 10.896 1073 2HD1 ILE 124 1HD1 ILE 124 21.436 24.638 11.839 1074 3HD1 ILE 124 2HD1 ILE 124 19.737 24.802 12.281 1075 H LYS 125 H LYS 125 18.896 27.433 7.202 1076 HA LYS 125 HA LYS 125 21.326 28.900 7.393 1077 1HB LYS 125 1HB LYS 125 19.446 28.075 5.336 1078 2HB LYS 125 2HB LYS 125 20.067 29.699 5.024 1079 1HG LYS 125 1HG LYS 125 21.944 28.734 4.230 1080 2HG LYS 125 2HG LYS 125 22.290 28.225 5.882 1081 1HD LYS 125 1HD LYS 125 20.376 26.396 4.968 1082 2HD LYS 125 2HD LYS 125 21.483 26.611 3.609 1083 1HE LYS 125 1HE LYS 125 22.275 25.933 6.458 1084 2HE LYS 125 2HE LYS 125 22.283 24.819 5.091 1085 1HZ LYS 125 1HZ LYS 125 23.767 27.348 4.896 1086 2HZ LYS 125 2HZ LYS 125 24.444 26.060 5.775 1087 3HZ LYS 125 3HZ LYS 125 24.070 25.861 4.131 1088 H LYS 126 H LYS 126 17.933 29.903 7.307 1089 HA LYS 126 HA LYS 126 18.332 32.680 6.922 1090 1HB LYS 126 1HB LYS 126 16.203 30.981 8.023 1091 2HB LYS 126 2HB LYS 126 16.259 32.589 8.747 1092 1HG LYS 126 1HG LYS 126 15.073 33.241 6.925 1093 2HG LYS 126 2HG LYS 126 16.618 33.153 6.077 1094 1HD LYS 126 1HD LYS 126 15.350 31.763 4.727 1095 2HD LYS 126 2HD LYS 126 15.968 30.581 5.883 1096 1HE LYS 126 1HE LYS 126 13.862 30.087 6.491 1097 2HE LYS 126 2HE LYS 126 13.638 31.753 7.024 1098 1HZ LYS 126 2HZ LYS 126 13.254 32.248 4.573 1099 2HZ LYS 126 3HZ LYS 126 13.050 30.573 4.382 1100 3HZ LYS 126 1HZ LYS 126 12.016 31.440 5.410 1101 H LYS 127 H LYS 127 19.113 30.644 9.535 1102 HA LYS 127 HA LYS 127 19.849 33.009 11.194 1103 1HB LYS 127 1HB LYS 127 18.936 30.234 11.936 1104 2HB LYS 127 2HB LYS 127 19.952 31.156 13.043 1105 1HG LYS 127 1HG LYS 127 17.222 31.923 11.981 1106 2HG LYS 127 2HG LYS 127 17.673 31.613 13.659 1107 1HD LYS 127 1HD LYS 127 17.893 33.882 13.764 1108 2HD LYS 127 2HD LYS 127 19.454 33.576 12.998 1109 1HE LYS 127 1HE LYS 127 18.804 34.677 11.153 1110 2HE LYS 127 2HE LYS 127 17.417 33.602 10.975 1111 1HZ LYS 127 3HZ LYS 127 16.739 35.231 13.052 1112 2HZ LYS 127 1HZ LYS 127 17.525 36.281 11.971 1113 3HZ LYS 127 2HZ LYS 127 16.185 35.371 11.456 1114 H PHE 128 H PHE 128 20.875 30.287 9.409 1115 HA PHE 128 HA PHE 128 23.577 30.352 10.653 1116 1HB PHE 128 1HB PHE 128 22.143 28.368 8.931 1117 2HB PHE 128 2HB PHE 128 23.905 28.403 8.945 1118 HD1 PHE 128 HD2 PHE 128 22.332 29.688 11.867 1119 HD2 PHE 128 HD1 PHE 128 23.735 26.070 10.032 1120 HE1 PHE 128 HE2 PHE 128 22.266 28.571 14.050 1121 HE2 PHE 128 HE1 PHE 128 23.636 24.921 12.239 1122 HZ PHE 128 HZ PHE 128 22.893 26.176 14.255 1123 H GLN 129 H GLN 129 22.706 32.512 9.345 1124 HA GLN 129 HA GLN 129 23.675 32.508 6.569 1125 1HB GLN 129 1HB GLN 129 23.389 35.141 7.737 1126 2HB GLN 129 2HB GLN 129 22.487 34.416 6.410 1127 1HG GLN 129 1HG GLN 129 21.299 33.088 8.372 1128 2HG GLN 129 2HG GLN 129 21.858 34.448 9.340 1129 1HE2 GLN 129 2HE2 GLN 129 18.986 35.066 6.470 1130 2HE2 GLN 129 1HE2 GLN 129 19.952 33.674 6.402 1131 H GLY 130 H GLY 130 25.162 32.586 9.558 1132 1HA GLY 130 1HA GLY 130 27.387 34.261 8.497 1133 2HA GLY 130 2HA GLY 130 27.054 34.040 10.210 1134 H ILE 131 H ILE 131 26.596 31.005 8.885 1135 HA ILE 131 HA ILE 131 28.674 29.741 10.080 1136 HB ILE 131 HB ILE 131 28.130 28.811 7.365 1137 1HG1 ILE 131 1HG1 ILE 131 25.934 29.314 9.301 1138 2HG1 ILE 131 2HG1 ILE 131 25.902 29.235 7.533 1139 1HG2 ILE 131 2HG2 ILE 131 29.190 27.818 9.615 1140 2HG2 ILE 131 3HG2 ILE 131 27.544 27.252 9.790 1141 3HG2 ILE 131 1HG2 ILE 131 28.475 26.840 8.342 1142 1HD1 ILE 131 3HD1 ILE 131 26.636 26.767 7.928 1143 2HD1 ILE 131 1HD1 ILE 131 25.919 27.035 9.526 1144 3HD1 ILE 131 2HD1 ILE 131 24.902 27.198 8.084 1145 H LYS 132 H LYS 132 30.404 28.686 8.960 1146 HA LYS 132 HA LYS 132 31.863 30.455 7.101 1147 1HB LYS 132 1HB LYS 132 33.137 27.958 8.000 1148 2HB LYS 132 2HB LYS 132 33.806 29.593 7.947 1149 1HG LYS 132 1HG LYS 132 31.883 28.537 9.993 1150 2HG LYS 132 2HG LYS 132 33.590 28.820 10.268 1151 1HD LYS 132 1HD LYS 132 31.808 31.024 9.277 1152 2HD LYS 132 2HD LYS 132 31.905 30.661 11.000 1153 1HE LYS 132 1HE LYS 132 34.079 31.397 11.176 1154 2HE LYS 132 2HE LYS 132 34.489 30.901 9.535 1155 1HZ LYS 132 3HZ LYS 132 32.653 33.154 10.087 1156 2HZ LYS 132 1HZ LYS 132 34.332 33.368 9.973 1157 3HZ LYS 132 2HZ LYS 132 33.459 32.781 8.638 1158 H HIS 133 H HIS 133 30.002 27.538 7.594 1159 HA HIS 133 HA HIS 133 29.406 27.276 4.910 1160 1HB HIS 133 1HB HIS 133 30.798 24.769 5.241 1161 2HB HIS 133 2HB HIS 133 30.707 25.805 3.825 1162 HD1 HIS 133 HD1 HIS 133 32.715 27.248 3.303 1163 HD2 HIS 133 HD2 HIS 133 33.047 25.196 6.900 1164 HE1 HIS 133 HE1 HIS 133 35.174 27.211 3.889 1165 H GLU 134 H GLU 134 28.451 25.348 4.271 1166 HA GLU 134 HA GLU 134 27.134 24.002 6.528 1167 1HB GLU 134 1HB GLU 134 25.191 24.246 5.463 1168 2HB GLU 134 2HB GLU 134 26.013 25.192 4.223 1169 1HG GLU 134 1HG GLU 134 26.536 23.159 2.981 1170 2HG GLU 134 2HG GLU 134 25.822 22.169 4.258 1171 H CYS 135 H CYS 135 27.813 22.106 6.852 1172 HA CYS 135 HA CYS 135 29.170 20.551 4.700 1173 1HB CYS 135 1HB CYS 135 30.491 21.275 6.764 1174 2HB CYS 135 2HB CYS 135 29.475 20.163 7.687 1175 HG CYS 135 HG CYS 135 30.618 18.663 5.362 1176 H GLN 136 H GLN 136 27.436 19.311 3.913 1177 HA GLN 136 HA GLN 136 25.631 17.990 5.788 1178 1HB GLN 136 1HB GLN 136 24.700 18.697 3.661 1179 2HB GLN 136 2HB GLN 136 25.907 17.765 2.784 1180 1HG GLN 136 1HG GLN 136 24.863 15.775 3.186 1181 2HG GLN 136 2HG GLN 136 24.343 16.270 4.794 1182 1HE2 GLN 136 2HE2 GLN 136 21.085 16.771 3.639 1183 2HE2 GLN 136 1HE2 GLN 136 22.118 16.201 4.855 1184 H ALA 137 H ALA 137 25.468 15.770 6.100 1185 HA ALA 137 HA ALA 137 27.538 14.039 4.946 1186 1HB ALA 137 2HB ALA 137 27.527 14.950 7.749 1187 2HB ALA 137 3HB ALA 137 27.704 13.208 7.530 1188 3HB ALA 137 1HB ALA 137 28.855 14.314 6.778 1189 H ASN 138 H ASN 138 26.379 12.410 4.158 1190 HA ASN 138 HA ASN 138 23.984 11.517 5.685 1191 1HB ASN 138 1HB ASN 138 24.845 10.919 2.854 1192 2HB ASN 138 2HB ASN 138 23.431 10.213 3.648 1193 1HD2 ASN 138 2HD2 ASN 138 23.292 14.298 3.031 1194 2HD2 ASN 138 1HD2 ASN 138 24.780 13.582 3.425 1195 H GLY 139 H GLY 139 26.437 11.112 6.661 1196 1HA GLY 139 1HA GLY 139 26.620 8.444 7.414 1197 2HA GLY 139 2HA GLY 139 27.783 8.708 6.081 1198 HA PRO 140 HA PRO 140 28.993 11.002 10.041 1199 1HB PRO 140 1HB PRO 140 30.508 9.055 11.328 1200 2HB PRO 140 2HB PRO 140 28.811 9.409 11.705 1201 1HG PRO 140 1HG PRO 140 29.956 7.120 10.159 1202 2HG PRO 140 2HG PRO 140 28.475 7.192 11.130 1203 1HD PRO 140 1HD PRO 140 28.554 7.326 8.320 1204 2HD PRO 140 2HD PRO 140 27.189 7.861 9.320 1205 H GLU 141 H GLU 141 30.091 9.357 7.408 1206 HA GLU 141 HA GLU 141 32.976 9.843 7.607 1207 1HB GLU 141 1HB GLU 141 31.456 8.832 5.224 1208 2HB GLU 141 2HB GLU 141 33.078 8.368 5.794 1209 1HG GLU 141 1HG GLU 141 31.637 7.768 7.961 1210 2HG GLU 141 2HG GLU 141 30.406 7.515 6.729 1211 H ASP 142 H ASP 142 30.076 11.250 6.191 1212 HA ASP 142 HA ASP 142 31.559 12.792 4.224 1213 1HB ASP 142 1HB ASP 142 28.788 12.745 5.313 1214 2HB ASP 142 2HB ASP 142 29.344 14.268 4.616 1215 H LEU 143 H LEU 143 31.369 12.720 7.585 1216 HA LEU 143 HA LEU 143 32.009 15.617 7.891 1217 1HB LEU 143 1HB LEU 143 32.164 13.882 10.266 1218 2HB LEU 143 2HB LEU 143 31.379 15.443 10.071 1219 HG LEU 143 HG LEU 143 30.088 13.139 8.694 1220 1HD1 LEU 143 1HD1 LEU 143 30.260 13.487 11.681 1221 2HD1 LEU 143 2HD1 LEU 143 28.927 12.632 10.908 1222 3HD1 LEU 143 3HD1 LEU 143 30.578 12.034 10.733 1223 1HD2 LEU 143 1HD2 LEU 143 29.138 15.490 10.350 1224 2HD2 LEU 143 2HD2 LEU 143 29.142 15.393 8.589 1225 3HD2 LEU 143 3HD2 LEU 143 28.080 14.344 9.527 1226 H ASN 144 H ASN 144 33.316 12.691 7.343 1227 HA ASN 144 HA ASN 144 35.372 11.630 8.040 1228 1HB ASN 144 1HB ASN 144 35.040 12.278 5.645 1229 2HB ASN 144 2HB ASN 144 35.953 13.738 5.989 1230 1HD2 ASN 144 2HD2 ASN 144 38.385 10.696 6.881 1231 2HD2 ASN 144 1HD2 ASN 144 37.018 11.045 7.820 1232 H ARG 145 H ARG 145 36.219 14.964 7.295 1233 HA ARG 145 HA ARG 145 37.275 16.460 9.023 1234 1HB ARG 145 1HB ARG 145 37.764 14.294 10.433 1235 2HB ARG 145 2HB ARG 145 39.214 14.211 9.455 1236 1HG ARG 145 1HG ARG 145 39.083 16.867 10.245 1237 2HG ARG 145 2HG ARG 145 38.561 15.981 11.684 1238 1HD ARG 145 1HD ARG 145 40.870 14.779 10.312 1239 2HD ARG 145 2HD ARG 145 41.181 16.394 10.954 1240 HE ARG 145 HE ARG 145 40.073 15.304 13.120 1241 1HH1 ARG 145 1HH2 ARG 145 40.681 12.704 11.378 1242 2HH1 ARG 145 2HH2 ARG 145 42.060 12.125 12.250 1243 1HH2 ARG 145 1HH1 ARG 145 42.525 15.077 14.005 1244 2HH2 ARG 145 2HH1 ARG 145 43.103 13.468 13.735 1245 H ALA 146 H ALA 146 38.711 13.875 7.133 1246 HA ALA 146 HA ALA 146 40.795 15.490 5.901 1247 1HB ALA 146 1HB ALA 146 40.566 12.856 6.032 1248 2HB ALA 146 2HB ALA 146 39.479 13.076 4.652 1249 3HB ALA 146 3HB ALA 146 41.171 13.579 4.538 1250 H CYS 147 H CYS 147 37.502 14.523 5.503 1251 HA CYS 147 HA CYS 147 37.074 15.806 2.901 1252 1HB CYS 147 1HB CYS 147 35.834 13.827 4.212 1253 2HB CYS 147 2HB CYS 147 34.845 15.207 4.713 1254 HG CYS 147 HG CYS 147 34.592 13.886 2.069 1255 H ILE 148 H ILE 148 36.526 16.507 6.312 1256 HA ILE 148 HA ILE 148 35.183 18.972 5.747 1257 HB ILE 148 HB ILE 148 36.912 18.098 8.070 1258 1HG1 ILE 148 1HG1 ILE 148 35.240 16.550 8.184 1259 2HG1 ILE 148 2HG1 ILE 148 34.358 17.877 8.940 1260 1HG2 ILE 148 2HG2 ILE 148 35.285 20.421 7.350 1261 2HG2 ILE 148 3HG2 ILE 148 35.124 19.854 9.016 1262 3HG2 ILE 148 1HG2 ILE 148 36.706 20.302 8.379 1263 1HD1 ILE 148 1HD1 ILE 148 33.467 18.486 6.657 1264 2HD1 ILE 148 2HD1 ILE 148 34.272 17.030 6.017 1265 3HD1 ILE 148 3HD1 ILE 148 32.966 16.864 7.205 1266 H ALA 149 H ALA 149 38.239 17.604 5.634 1267 HA ALA 149 HA ALA 149 39.797 20.093 5.378 1268 1HB ALA 149 1HB ALA 149 40.527 17.173 5.205 1269 2HB ALA 149 2HB ALA 149 41.682 18.496 5.119 1270 3HB ALA 149 3HB ALA 149 40.764 18.213 6.595 1271 H GLU 150 H GLU 150 37.722 19.353 3.649 1272 HA GLU 150 HA GLU 150 39.026 19.525 1.012 1273 1HB GLU 150 1HB GLU 150 36.728 17.720 1.833 1274 2HB GLU 150 2HB GLU 150 37.003 18.214 0.159 1275 1HG GLU 150 1HG GLU 150 39.300 17.316 0.302 1276 2HG GLU 150 2HG GLU 150 38.948 16.783 1.939 1277 H LYS 151 H LYS 151 36.185 19.802 3.029 1278 HA LYS 151 HA LYS 151 34.790 21.730 1.398 1279 1HB LYS 151 1HB LYS 151 33.215 21.079 2.866 1280 2HB LYS 151 2HB LYS 151 34.420 20.312 3.891 1281 1HG LYS 151 1HG LYS 151 34.779 22.266 5.133 1282 2HG LYS 151 2HG LYS 151 33.977 23.300 3.942 1283 1HD LYS 151 1HD LYS 151 32.709 21.261 5.828 1284 2HD LYS 151 2HD LYS 151 32.384 23.014 5.741 1285 1HE LYS 151 1HE LYS 151 31.611 20.894 3.724 1286 2HE LYS 151 2HE LYS 151 30.552 21.952 4.652 1287 1HZ LYS 151 1HZ LYS 151 31.730 23.842 3.496 1288 2HZ LYS 151 2HZ LYS 151 32.363 22.680 2.430 1289 3HZ LYS 151 3HZ LYS 151 30.684 22.912 2.542 1290 H LEU 152 H LEU 152 37.412 21.660 3.581 1291 HA LEU 152 HA LEU 152 37.802 24.604 3.289 1292 1HB LEU 152 1HB LEU 152 39.089 23.081 5.543 1293 2HB LEU 152 2HB LEU 152 38.710 24.797 5.436 1294 HG LEU 152 HG LEU 152 36.297 23.206 5.290 1295 1HD1 LEU 152 1HD1 LEU 152 38.217 22.027 6.904 1296 2HD1 LEU 152 2HD1 LEU 152 37.323 23.045 8.035 1297 3HD1 LEU 152 3HD1 LEU 152 36.470 21.826 7.087 1298 1HD2 LEU 152 3HD2 LEU 152 36.611 25.653 5.838 1299 2HD2 LEU 152 1HD2 LEU 152 35.601 24.771 6.987 1300 3HD2 LEU 152 2HD2 LEU 152 37.276 25.151 7.390 1301 H GLY 153 H GLY 153 39.150 21.323 3.455 1302 1HA GLY 153 1HA GLY 153 41.789 22.257 2.526 1303 2HA GLY 153 2HA GLY 153 41.393 20.632 3.033 1304 H GLY 154 H GLY 154 39.150 22.114 1.060 1305 1HA GLY 154 1HA GLY 154 40.079 20.503 -1.289 1306 2HA GLY 154 2HA GLY 154 38.403 21.006 -1.036 1307 H SER 155 H SER 155 40.794 23.266 -0.163 1308 HA SER 155 HA SER 155 40.762 24.646 -2.764 1309 1HB SER 155 1HB SER 155 39.637 25.837 -0.212 1310 2HB SER 155 2HB SER 155 39.982 26.757 -1.674 1311 HG SER 155 HG SER 155 38.268 25.929 -2.591 1312 H LEU 156 H LEU 156 41.457 25.809 0.565 1313 HA LEU 156 HA LEU 156 44.324 25.569 0.119 1314 1HB LEU 156 1HB LEU 156 43.865 28.342 0.601 1315 2HB LEU 156 2HB LEU 156 44.760 27.589 -0.711 1316 HG LEU 156 HG LEU 156 41.789 27.515 -0.873 1317 1HD1 LEU 156 1HD1 LEU 156 43.458 30.007 -1.227 1318 2HD1 LEU 156 2HD1 LEU 156 41.855 29.809 -1.936 1319 3HD1 LEU 156 3HD1 LEU 156 42.052 29.792 -0.184 1320 1HD2 LEU 156 3HD2 LEU 156 44.063 27.112 -2.563 1321 2HD2 LEU 156 1HD2 LEU 156 42.360 26.862 -2.948 1322 3HD2 LEU 156 2HD2 LEU 156 43.107 28.439 -3.224 1323 H ILE 157 H ILE 157 43.746 24.416 2.315 1324 HA ILE 157 HA ILE 157 43.727 26.568 4.350 1325 HB ILE 157 HB ILE 157 43.211 24.686 5.976 1326 1HG1 ILE 157 1HG1 ILE 157 42.453 23.338 3.382 1327 2HG1 ILE 157 2HG1 ILE 157 43.766 22.808 4.461 1328 1HG2 ILE 157 1HG2 ILE 157 41.572 26.222 4.191 1329 2HG2 ILE 157 2HG2 ILE 157 40.809 24.661 4.493 1330 3HG2 ILE 157 3HG2 ILE 157 41.230 25.707 5.844 1331 1HD1 ILE 157 3HD1 ILE 157 41.737 23.146 6.211 1332 2HD1 ILE 157 1HD1 ILE 157 40.856 22.582 4.777 1333 3HD1 ILE 157 2HD1 ILE 157 42.149 21.596 5.462 1334 H VAL 158 H VAL 158 44.794 23.930 5.915 1335 HA VAL 158 HA VAL 158 47.529 23.722 5.112 1336 HB VAL 158 HB VAL 158 46.759 25.846 7.065 1337 1HG1 VAL 158 2HG1 VAL 158 49.168 24.034 7.331 1338 2HG1 VAL 158 3HG1 VAL 158 49.091 25.637 8.064 1339 3HG1 VAL 158 1HG1 VAL 158 47.944 24.390 8.550 1340 1HG2 VAL 158 3HG2 VAL 158 48.690 25.432 4.817 1341 2HG2 VAL 158 1HG2 VAL 158 47.625 26.800 5.149 1342 3HG2 VAL 158 2HG2 VAL 158 49.115 26.599 6.071 1343 H ALA 159 H ALA 159 45.009 23.440 7.469 1344 HA ALA 159 HA ALA 159 46.197 20.942 8.511 1345 1HB ALA 159 3HB ALA 159 45.238 23.333 10.011 1346 2HB ALA 159 1HB ALA 159 44.871 21.739 10.669 1347 3HB ALA 159 2HB ALA 159 46.546 22.220 10.405 1348 H PHE 160 H PHE 160 44.659 19.448 9.120 1349 HA PHE 160 HA PHE 160 42.485 18.442 9.166 1350 1HB PHE 160 1HB PHE 160 41.718 21.134 8.463 1351 2HB PHE 160 2HB PHE 160 41.012 20.019 7.292 1352 HD1 PHE 160 HD1 PHE 160 41.919 19.593 10.846 1353 HD2 PHE 160 HD2 PHE 160 38.774 19.691 7.947 1354 HE1 PHE 160 HE1 PHE 160 40.305 18.879 12.593 1355 HE2 PHE 160 HE2 PHE 160 37.144 18.974 9.691 1356 HZ PHE 160 HZ PHE 160 37.908 18.579 12.008 1357 H GLU 161 H GLU 161 43.699 20.233 6.476 1358 HA GLU 161 HA GLU 161 43.653 17.822 4.753 1359 1HB GLU 161 1HB GLU 161 42.710 20.350 4.203 1360 2HB GLU 161 2HB GLU 161 44.349 20.433 3.563 1361 1HG GLU 161 1HG GLU 161 42.623 18.052 2.950 1362 2HG GLU 161 2HG GLU 161 42.436 19.534 2.022 1363 H GLY 162 H GLY 162 45.561 19.892 6.715 1364 1HA GLY 162 1HA GLY 162 48.011 18.975 5.258 1365 2HA GLY 162 2HA GLY 162 47.897 20.553 6.004 1366 H CYS 163 H CYS 163 47.833 20.600 8.441 1367 HA CYS 163 HA CYS 163 49.827 18.951 9.533 1368 1HB CYS 163 1HB CYS 163 49.714 20.982 10.578 1369 2HB CYS 163 2HB CYS 163 47.961 20.941 10.707 1370 HG CYS 163 HG CYS 163 48.154 19.327 12.713 1371 HA PRO 164 HA PRO 164 46.821 16.470 12.189 1372 1HB PRO 164 1HB PRO 164 44.134 17.036 11.958 1373 2HB PRO 164 2HB PRO 164 45.197 17.761 13.179 1374 1HG PRO 164 1HG PRO 164 44.139 18.940 10.650 1375 2HG PRO 164 2HG PRO 164 44.534 19.746 12.173 1376 1HD PRO 164 1HD PRO 164 46.208 19.824 9.936 1377 2HD PRO 164 2HD PRO 164 46.744 20.044 11.603 1378 H VAL 165 H VAL 165 45.429 17.499 9.084 1379 HA VAL 165 HA VAL 165 45.614 14.710 8.149 1380 HB VAL 165 HB VAL 165 43.025 15.342 7.303 1381 1HG1 VAL 165 3HG1 VAL 165 43.956 13.125 7.890 1382 2HG1 VAL 165 1HG1 VAL 165 43.893 13.567 9.597 1383 3HG1 VAL 165 2HG1 VAL 165 42.399 13.416 8.668 1384 1HG2 VAL 165 3HG2 VAL 165 43.385 16.924 9.527 1385 2HG2 VAL 165 1HG2 VAL 165 41.830 16.289 9.000 1386 3HG2 VAL 165 2HG2 VAL 165 42.753 15.445 10.241 No H/Q in entry = 1386
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